,smiles,scaffold,p,in_validation
0,CC(CN1CCN(Cc2ccc(F)c(Cl)c2)C1=O)N1CCc2ccccc21,[*]N1CCN([*])C1=O,0.30035278,False
1,CC1C2CCC1N(Cc1ccccc1)CC(CN1CCN(c3cccc(OC(F)(F)F)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.41052976,False
2,CCCCN(CC)C1COc2c(cccc2C(O)c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5369439,False
3,CCCCN(Cc1ccc(F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.55129206,False
4,CCCN(CCl)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6375076,False
5,CCCOc1c(SC)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6841197,False
6,CCN(CC(C)=O)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.38722104,False
7,CCN1CCCC1CNC(=O)c1c(F)ccc(Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.82512474,False
8,CCN1CCCCC1CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.3975934,False
9,CCN1CCN(CCN2CCN(Cc3cccc(Cl)c3)C2=O)CC1C,[*]N1CCN([*])C1=O,0.54411006,False
10,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2cc(Br)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50264686,False
11,COc1c(C(=O)NCCN2CCN(c3ccc(Br)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8956587,False
12,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccc3c2-c2ccccc2C3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7034638,False
13,COc1cc2cccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc-2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41137773,False
14,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92613316,False
15,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92429376,False
16,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(F)c3)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42102435,False
17,COc1ccc(Oc2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93423307,False
18,COc1ccc2c(c1)CC=C(N1CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC1)N2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42727417,False
19,COc1ccc2cc(N3CCN(CC=CCNC(=O)c4ccccc4F)CC3)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32790676,False
20,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc4ccccc4c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37804753,False
21,COc1cccc(C2CCCN(CCN3CCN(c4ccccc4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.81905514,False
22,COc1cccc(N2CCN(CCN3Cc4ccccc4CC3C)C2=O)c1,[*]N1CCN([*])C1=O,0.69454753,False
23,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc([N+](=O)[O-])s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8353009,False
24,COc1ccccc1N1CCN(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64348453,False
25,Cc1ccc(N2CCN(CCN3CCCCC3c3ccccn3)C2=O)cc1,[*]N1CCN([*])C1=O,0.26801568,False
26,Cc1cccnc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.861042,False
27,Cc1cccnc1-c1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64248466,False
28,N#Cc1cccc(N2CCN(CCc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.5429655,False
29,O=C(CCN1CCN(c2cccc(Cl)c2)C1=O)N1CCCCC1,[*]N1CCN([*])C1=O,0.30586934,False
30,O=C(NCC=CCN1CCN(c2c(Cl)ccc(Cl)c2Cl)CC1)c1ccc(-c2cccnc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39918834,False
31,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)c1c(F)cccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3531873,False
32,O=C(NCC=CCN1CCN(c2ccc(-c3cccs3)s2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39689112,False
33,O=C(NCC=CCN1CCN(c2ccc(CCF)cc2)CC1)c1ccccc1SCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37207425,False
34,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccc(F)cc2)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92201513,False
35,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2ncccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73899776,False
36,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccc(-c2cccc(O)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42856446,False
37,O=C1N(CC2CCCCC2c2ccccn2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.36870882,False
38,O=C1N(CCN2CCCC(c3cccc(Cl)c3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.926619,False
39,O=C1N(CCN2CCCCCC2)CCN1c1ccnc(Cl)c1,[*]N1CCN([*])C1=O,0.7759196,False
40,O=C1N(CCN2CCN(Cc3ccc4ccccc4c3)CC2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.4767005,False
41,O=C1N(CCN2CCc3ccccc32)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.49838915,False
42,O=C1N(Cc2ccccc2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.33902603,False
43,O=C1N(c2ccccc2)CCN1c1cccc(C2CCCCCN2)c1,[*]N1CCN([*])C1=O,0.21916702,False
44,O=Cc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47624075,False
45,CC(C)c1cccc(N2CCN(CC34CCCC(N(C)CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.51996416,False
46,CC12CCCC1(CN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.531307,False
47,CC1CN(CCN2CCN(c3cccc(Cl)c3)C2=O)Cc2ccccc21,[*]N1CCN([*])C1=O,0.8862972,False
48,CCCCN(C1CCCC(=O)C1)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4026221,False
49,CCCCN(O)C1COc2c(cccc2C2CCC3CC(=O)C3CC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3681667,False
50,CCCN(C(C)C)C1COc2c(cccc2C(=O)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41876844,False
51,CCCN(CCC)C1COc2c(cccc2-c2ccccn2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6975847,False
52,CCCc1ccc(O)c(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.31318173,False
53,CCc1ccc(C)c(C(=O)NCC2CCCN2Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19511372,False
54,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.9215117,False
55,CN(CCN1CCN(c2cccc(Cl)c2Cl)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.48561522,False
56,CN(Cc1ccc(Cl)cc1)C(=O)CN1CCN(c2cccc3c2NCCC3)C1=O,[*]N1CCN([*])C1=O,0.23616554,False
57,CN(Cc1ccccn1)CN1CCN(c2ccncc2)C1=O,[*]N1CCN([*])C1=O,0.2953647,False
58,COCC1CCCN(CCN2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.61019754,False
59,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cc(Cl)cc(Cl)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.43111068,False
60,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2S(=O)(=O)c2cccc(C)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.322705,False
61,COc1c(C(=O)NCCN2CCN(N(C)c3cccc([N+](=O)[O-])c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34530848,False
62,COc1c(N)cccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7358411,False
63,COc1cc(CCO)ccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91158444,False
64,COc1ccc2c(c1)CCCC2C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65859807,False
65,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(OCCF)c(Br)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3907966,False
66,COc1cccc(N2CCN(CC3NCCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.61607933,False
67,COc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36886674,False
68,COc1cccc(N2CCN(CCC3CCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.74390715,False
69,COc1ccccc1-c1csc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85919136,False
70,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(OCCF)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95005697,False
71,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(OCCF)c(Br)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9645753,False
72,COc1ccccc1N1CCN(CC=CCNC(=O)c2sccc2-c2ccc(F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83262646,False
73,COc1ccccc1Oc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4099467,False
74,Cc1cccc(C)c1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36527476,False
75,O=C(NCC=CCN1CCN(Cc2ccccc2F)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3405622,False
76,O=C(NCC=CCN1CCN(c2[nH]ccc2OCCF)CC1)c1cc[nH]c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4453751,False
77,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1cc(OCCF)co1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41501614,False
78,O=C(NCC=CCN1CCN(c2ccc3cc(O)ccc3c2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37682804,False
79,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(F)ccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7797211,False
80,O=C(NCC=CCN1CCN(c2ccccc2-c2ccccn2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6803739,False
81,O=C1N(CCN2C3CCCCC2Cc2ccccc2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5429826,False
82,O=C1N(CNCC2CCC3Cc4ccccc4CCN3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4623083,False
83,O=C1N(c2cccc(C(F)(F)F)c2)CCN1C1CCCCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.31523103,False
84,O=C1N(c2cccc(Cl)c2)CCN1C1CNCOC1,[*]N1CCN([*])C1=O,0.3577073,False
85,C#Cc1ccc2c(c1)N(C(=O)CN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.2606295,False
86,C=C(C)N(CO)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42963198,False
87,CC(C)Oc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(CNC(=O)c3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.806421,False
88,CC1(C)CC(N2CCN(c3ccc(F)cc3)C2=O)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.37174258,False
89,CC1CCCCN1CCN1CCN(c2cncc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.37470838,False
90,CC1CCCN(C(C)CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.4939483,False
91,CC1CCCN(CCN2CCN(c3ccc(F)c(C#N)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.70172626,False
92,CC1CCN(C)c2cc(N3CCN(c4cccc(Cl)c4)C3=O)ccc2Cc2ccccc21,[*]N1CCN([*])C1=O,0.5456624,False
93,CCCCN(OC(=O)c1cccs1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.32050824,False
94,CCCCN(c1ccsc1)C1COc2c(cccc2C2CCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51264304,False
95,CCCc1cccc2c1OCC(N(CC)Cc1ccc(-c3ccccc3)o1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5246425,False
96,CCCc1cccc2c1OCC(N(CO)CN1CCC(C(=O)c3ccc(F)cc3)CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5446541,False
97,CCN1CCc2cccc(N3CCN(c4cccc(Cl)c4)C3=O)c21,[*]N1CCN([*])C1=O,0.46850288,False
98,CCOc1c(Cl)ccc(SC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21385707,False
99,CN(C)c1ccc(N2CCN(CC=CCNC(=O)c3cccc(OCCF)c3[O-])CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33321136,False
100,CNCc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9400521,False
101,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc([N+](=O)[O-])cc2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3356263,False
102,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C2=CC=CC=C[N+](C)C2=O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.40014833,False
103,COc1c(C(=O)NCCN2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.27849925,False
104,COc1cc(O)ccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.62968165,False
105,COc1ccc(-c2cc(C(=O)NCC=CCN3CCN(c4ccc(Cl)cc4)CC3)c[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4171357,False
106,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47123474,False
107,COc1cccc(N2CCN(C3CCCCCN3Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.30598664,False
108,COc1cccc(N2CCN(Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.3839039,False
109,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OCCF)cc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48499689,False
110,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(-c3ccsc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40008536,False
111,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccco2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85943,False
112,Cc1cc(C(C)N2CCN(CCN3Cc4ccccc4C3)C2=O)ccn1,[*]N1CCN([*])C1=O,0.7630305,False
113,Cc1ccc(N2CCN(CCN3CCCCCC3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.8314164,False
114,Cc1cccc2[nH]c(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3334735,False
115,O=C(CN1CCN(c2cccc3sccc23)C1=O)NC1CCCc2ccccc21,[*]N1CCN([*])C1=O,0.14066818,False
116,O=C(NCC=CCN1CCN(c2ccc(CNO)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40431306,False
117,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccccc2)no1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87227917,False
118,O=C(NCC=CCN1CCN(c2cccc3ccoc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60053825,False
119,O=C1N(CCN2CCCC(c3ccccc3)C2)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.74433315,False
120,O=C1N(CCN2CCN(Cc3cccs3)CC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.74988186,False
121,O=C1N(c2cccc(Cl)c2)CCN1c1ccc2c(c1)Cc1ccccc1CC2,[*]N1CCN([*])C1=O,0.44691205,False
122,CCCCN(OC)C1COc2c(CCCN3C(=O)CCC4(CCC(=O)C4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53698725,False
123,CCCN(CC1CC1)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71459556,False
124,CCCN(COC)C1COc2c(CCCN3C(=O)CC4(CCCC4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5991382,False
125,CCN(CC)COc1c(C)ccc(C)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20536816,False
126,CCOc1c(OC)ccc([SH](C)(C)=O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23039636,False
127,CCc1ccc(Br)c(C(=O)NCC2CCCN2O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20525837,False
128,CCc1ccc(C)c(C(=O)NCC2CCCN2C(C)C)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15293449,False
129,CCc1ccc(CCF)c(OO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21470422,False
130,CN(C)CC12CCC(CC1N1CCN(c3ccc(F)cc3)C1=O)C2(C)C,[*]N1CCN([*])C1=O,0.45345962,False
131,COCN(C(C)C)C1COc2c(cccc2[N+](=O)C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.23629814,False
132,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2[N+]([O-])[N+](=O)c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3888618,False
133,COc1cc(Br)cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9234201,False
134,COc1ccc(CON2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2752242,False
135,COc1cccc(N2CCN(CN3CCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.68630475,False
136,COc1cccc2c(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c[nH]c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6217329,False
137,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4ccc(F)cc4)CC3)oc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37873724,False
138,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccccc3)ccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35264224,False
139,COc1ccccc1N1CCN(CC=CCNC(=O)CCNC(=O)c2ccc(F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7673807,False
140,Cc1cccc(CN2CCCC(N3CCN(c4cccc(C(F)(F)F)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.58499134,False
141,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3N)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7941065,False
142,Cc1ccccc1N1CCN(CC2COCCN2)C1=O,[*]N1CCN([*])C1=O,0.2036018,False
143,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccccc2)n[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72939974,False
144,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(O)ccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92100966,False
145,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccnc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94925445,False
146,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccc(O)s2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9232838,False
147,O=C1N(C2CCCCC2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.23980126,False
148,O=C1N(CC2CCCC(NCc3cccc(Cl)c3)C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.3230001,False
149,O=C1N(CCC2CNCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.79277986,False
150,O=C1N(CCCNC2Cc3ccccc3CC3CC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5874974,False
151,O=C1N(CCN2CC3CCCC(Cc4ccccc4C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7299655,False
152,O=C1N(CCN2CCCC(c3ccccc3)CC2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.7832362,False
153,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2scnc2c1,[*]N1CCN([*])C1=O,0.8074095,False
154,O=C1N(CCNC2CCCCC2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.3518156,False
155,O=C1N(Cc2ccc(Cl)cc2)CCN1Cc1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.26107898,False
156,O=C1N(Cc2cccc3c2Cc2cscc2CCNC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4749268,False
157,O=C1N(c2ccc3sccc3c2)CCN1C1CCN(Cc2cccc(Cl)c2)CC1,[*]N1CCN([*])C1=O,0.63823885,False
158,C=Cc1cccc2c1OCC(N(CCCC)C(=O)c1ccco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.31185168,False
159,CC(C)Oc1ccccc1N1CCN(C)C1=O,[*]N1CCN([*])C1=O,0.25388858,False
160,CC(C)c1cccc(N2CCN(c3ccc4ccsc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.12037634,False
161,CC1(C)CC2CCC1CN2CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.54560214,False
162,CCCCCc1ccc(OC)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.28023583,False
163,CCCN(CC1CC2(CCC(=O)C2)CCC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39759216,False
164,CCCN(Cc1ccc(=O)oc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5854262,False
165,CCN(Cc1cccc(F)c1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4607602,False
166,CCN1CCCC1CNC(=O)c1c(C)ccc(C)c1OCOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6697859,False
167,CCOc1ccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38693213,False
168,CCOc1ccc(C)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.824822,False
169,CN(CCN1CCN(C2CCOOC2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.60928166,False
170,COCC12CCC(CC1N1CCN(c3cccc(Cl)c3)C1=O)C2(C)C,[*]N1CCN([*])C1=O,0.51048285,False
171,COc1c(C(=O)NCCN2CCN(c3cccc(N4CCN(C)CC4)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.80800396,False
172,COc1ccc(F)c(C(=O)NCC=CCN2CCN(c3ccc(-c4ccccc4OC)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4179665,False
173,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3cc(Cl)ccc3s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4378477,False
174,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49745265,False
175,COc1ccccc1C(=O)NCC=CCN1CCN(c2cnc3cc(OCCF)ccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3651032,False
176,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(CF)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89920986,False
177,C[N+]c1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8557332,False
178,Cc1cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)ccc1C#N,[*]N1CCN([*])C1=O,0.7305036,False
179,Cc1ccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.71744287,False
180,Cc1ccccc1N1CCN(C2CC3CCC2Cc2ccccc2N3C)C1=O,[*]N1CCN([*])C1=O,0.43175456,False
181,Cc1ccccc1N1CCN(CCN(C)Cc2cc3ccccc3o2)C1=O,[*]N1CCN([*])C1=O,0.30423868,False
182,N#CCc1cccc(CN2CCN(c3ccc(Cl)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.31648403,False
183,O=C(CCOCc1ccc(O)cc1)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68815297,False
184,O=C(NCC=CCN1CCN(c2cc(-c3ccc(F)cc3)c[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43605378,False
185,O=C(NCC=CCN1CCN(c2cc3cc(OCCF)ccc3o2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42774698,False
186,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(O)cc3)o2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40831852,False
187,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.49526256,False
188,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5090292,False
189,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49433193,False
190,O=C1N(CC2CCNCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7588178,True
191,O=C1N(CCN2CCC3Cc4ccccc4CC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.70724756,False
192,O=C1N(CCN2Cc3ccccc3C2)CCN1CC1CCCCC1,[*]N1CCN([*])C1=O,0.7738989,False
193,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.5963505,False
194,O=C1N(Cc2ccc(Cl)cc2)CCN1C1CCOCC1,[*]N1CCN([*])C1=O,0.39227736,False
195,O=C1N(Cc2ccccc2)CCN1CC1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.59927887,False
196,O=C1N(c2cccc(Cl)c2)CCN1c1cccc2c1Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.43119404,False
197,C=C(c1ccoc1)N(CCC)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.63319033,False
198,CC(C)N(C)CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6823332,False
199,CC(C)Oc1cccc(N2CCN(c3ccc4c(c3)C3=CC=CC=CC(C3)NCC4)C2=O)c1,[*]N1CCN([*])C1=O,0.35303625,False
200,CC(CN1CCN(CCN2Cc3ccccc3C2)C1=O)c1ccccc1,[*]N1CCN([*])C1=O,0.59956986,False
201,CC12CCC(CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1)C(C)(C)C2,[*]N1CCN([*])C1=O,0.80308825,False
202,CCCOc1c(CC)ccc(C)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19246574,False
203,CCOc1c(C)ccc(SC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15872836,False
204,CN(C)CC1CCN(CCN2CCN(c3cccc(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.85687363,False
205,CN1CC2CCC(Cc3ccccc31)CC2N1CCN(Cc2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.42303407,False
206,COC1CCCCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.35966522,False
207,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(C(=O)N(C)C)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3544645,False
208,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2-c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.45230773,False
209,COc1ccc2cccc(C(=O)NCC=CCN3CCN(c4cc(Cl)ccc4Cl)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60089666,False
210,COc1cccc(C2CCCN(CCN3CCN(c4ccc(Cl)cc4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.8544601,False
211,COc1cccc(CC(C)N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.69309646,False
212,COc1cccc2c(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c[nH]c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81758213,False
213,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3O)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41035435,False
214,COc1ccccc1N1CCN(CC=CCNC(=O)NCc2cccc(F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80561054,False
215,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2-c2ccccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8718969,False
216,Cc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41938013,False
217,Cc1cccc(CNC2CCC(N3CCN(c4ccccc4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.28297392,False
218,Cc1coc(CN2CCN(Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.22953248,False
219,O=C(NCC=CCN1CCN(c2c(Cl)ccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50626206,False
220,O=C(NCC=CCN1CCN(c2c[nH]c(O)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40072215,False
221,O=C(NCC=CCN1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5088598,False
222,O=C(NCC=CCN1CCN(c2ccc(O)c(Cl)c2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48896372,False
223,O=C(NCC=CCN1CCN(c2ccc(O)cc2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46154833,False
224,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(F)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93439543,False
225,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2cc(O)ccc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89463043,False
226,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-n2ccnc2O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94656706,False
227,O=C(NCC=CCN1CCN(c2ccccc3nccc2-3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7869582,False
228,O=C1N(CCN2CC3CCCC2Cc2ccccc2C3)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.60690504,False
229,O=C1N(CCN2CCc3ccsc3CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.705154,False
230,O=C1N(CCN2Cc3ccccc3CC3CCOCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6024203,False
231,O=C1N(c2ccc(Cl)cc2)CCN1C1CCC2CCCCN2C1,[*]N1CCN([*])C1=O,0.26254,False
232,O=C1N(c2cccc(Cl)c2)CCN1c1cccc(OCC2CCCNC2)c1,[*]N1CCN([*])C1=O,0.45360425,False
233,C=CCN1CCCC1CNC(=O)c1c(C)ccc(CCCC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.40845874,False
234,CC(C)N1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.90040076,True
235,CC(C)c1ccc(N2CCN(CCN3Cc4ccccc4C3=O)C2=O)cc1,[*]N1CCN([*])C1=O,0.6476646,False
236,CC(CN1CCN(CN2CCN(c3cccc(Cl)c3)C2=O)CC1)OCc1ccccc1,[*]N1CCN([*])C1=O,0.46154338,False
237,CC(CN1CCN(c2ccc(F)c(Cl)c2)C1=O)NC1CCc2ccccc21,[*]N1CCN([*])C1=O,0.4217304,False
238,CC1(C)CC2CC1CC2(C)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5925843,False
239,CC1(CN2CCN(CCN3Cc4ccccc4C3)C2=O)CCOC1,[*]N1CCN([*])C1=O,0.71688277,False
240,CC1Cc2ccccc2N1C(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.34052923,False
241,CCCCN(CCC)C1COc2c(Cc3ccc(OC)cc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.67917794,False
242,CCCCN(c1cccs1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5592736,False
243,CCCN(CC)C1COc2c(cccc2-c2ccc(Cl)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6958283,False
244,CCCN(O)C1COc2c(Cc3ccoc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.58008564,False
245,CCCc1cccc2c1OCC(N(CCC)N1C=C(C(F)(F)F)CC(=O)CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4467556,False
246,CCOc1ccc(Br)cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5067444,False
247,CCOc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3661476,False
248,CN(Cc1cccs1)CN1CCN(c2cccnc2)C1=O,[*]N1CCN([*])C1=O,0.3040055,False
249,CN1CCN(CCN2CCN(c3ccccc3[O-])C2=O)CC1,[*]N1CCN([*])C1=O,0.6513472,False
250,COC(C)C1CCN(CCN2CCN(c3ccccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.7235627,False
251,COCC1Cc2c(N3CCN(c4cccc(Cl)c4)C3=O)cccc2N1C,[*]N1CCN([*])C1=O,0.5516051,False
252,COCCN1CCN(c2ccsc2C(C)C)C1=O,[*]N1CCN([*])C1=O,0.3268483,False
253,COc1cc2cc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)ccc2cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3999837,False
254,COc1ccc(Cl)cc1N1CCN(CC=CCNC(=O)c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4750224,False
255,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(O)cc3)CC2)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4152115,False
256,CSc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87304276,False
257,Cc1cccc(N2CCN(C3CCCCNC3)C2=O)c1,[*]N1CCN([*])C1=O,0.21827534,False
258,Nc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6389203,False
259,O=C(NCC=CCN1CCN(OCCF)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31376842,False
260,O=C(NCC=CCN1CCN(c2cc3ccc(OCCF)cc3[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44784078,False
261,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1[nH]cc2ccc(OCCF)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88212395,False
262,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccc(-c2ncc[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45204917,False
263,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccc(O)nc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9610091,False
264,O=C1N(CCN2C3CCCCC2CC3)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.39940664,False
265,O=C1N(CCN2CCCC(C(F)(F)F)CC2)CCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.7426172,False
266,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccs1,[*]N1CCN([*])C1=O,0.87396157,False
267,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)COC2,[*]N1CCN([*])C1=O,0.8030332,False
268,O=C1N(CNCC2CCC3Cc4ccccc4CCN3C2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.35720626,False
269,O=C1N(Cc2ccc(F)cc2)CCN1CN1CCC(C(F)(F)F)CC1,[*]N1CCN([*])C1=O,0.64037,False
270,O=C1N(c2cccc(Cl)c2)CCN1C1CCNCC2CCC2C1,[*]N1CCN([*])C1=O,0.42096722,False
271,CC(C)c1cccc(N2CCN(CC3COCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.3770361,False
272,CCCC1CN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC2CCC12,[*]N1CCN([*])C1=O,0.7547136,False
273,CCCCN(CC)C1COc2c(cccc2Oc2ccc3ccccc3c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5216894,False
274,CCCN(CCCc1ccc(OC)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7132687,False
275,CCCN(CO)C1COc2c(CCCN3CCC(=O)CC4(CCCC4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5771225,False
276,CCCN(CO)C1COc2c(cccc2C2CCCC(=O)C2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5196715,False
277,CCN(CO)C1COc2c(CCc3ccc(OC)cc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5234277,False
278,CCOc1c(CS)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.61870736,False
279,CN(CCN1CCN(c2ccccc2)C1=O)CC1CCC2CCCCN2C1,[*]N1CCN([*])C1=O,0.61824256,False
280,CN1CCCCC1CN1CCN(CC2CCCCC2)C1=O,[*]N1CCN([*])C1=O,0.3427383,False
281,COCC1CCN(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.63936937,False
282,COc1cc(C)ccc1C(=O)NCC=CCN1CCN(c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8630045,False
283,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3F)CC2)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33925533,False
284,COc1ccc(N2CCN(CC=CCNC(=O)c3ccc(OCCF)cc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39277652,False
285,COc1cccc(N2CCN(C3CCc4ccsc4CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.42273846,False
286,COc1cccc(N2CCN(CC34CCCC(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.42839736,False
287,COc1cccc(N2CCN(CC=CCNC(=O)c3cccc(OCCF)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38826668,False
288,COc1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3O)CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8088467,False
289,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3)c(OC)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41499636,False
290,COc1ccccc1N1CCN(CC(=O)[N+](F)F)C1=O,[*]N1CCN([*])C1=O,0.13614854,False
291,COc1ccccc1N1CCN(CC=CCNC(=O)c2nc(-c3ccccc3)ccc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82000285,False
292,Cc1ccc(N2CCN(CC3NCCc4ccc(C#N)cc43)C2=O)s1,[*]N1CCN([*])C1=O,0.37902066,False
293,Cc1cccc(CN2CCN(c3ccccc3C)C2=O)c1,[*]N1CCN([*])C1=O,0.26429492,False
294,Cc1ccncc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81113034,False
295,Cc1sccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7829847,False
296,N#Cc1cccc(CN2CCN(c3ccccc3F)C2=O)c1,[*]N1CCN([*])C1=O,0.34028208,False
297,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(Cl)c3Cl)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47381848,False
298,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NCCc1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93579245,False
299,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1CCO,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9248038,False
300,O=C(NCCN1CCN([N+](=O)[O-])CC1)c1cc(Br)c2ccccc2c1-c1cccc(Br)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.2834615,False
301,O=C1N(CCN2CCCC3C4CCCCC3(CC2)C4)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.72547615,False
302,O=C1N(CCN2CCCc3sccc3C2)CCN1c1cccc(-c2ccccc2)c1,[*]N1CCN([*])C1=O,0.7505877,False
303,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1ccccc1F,[*]N1CCN([*])C1=O,0.68378896,False
304,O=C1N(CCN2CCc3ccccc3CC3(CCCC3)C2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.62594384,False
305,O=C1N(CCOc2cccc(Cl)c2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.4849452,False
306,O=C1N(CN2CCC3CCc4ccccc4CC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.49907672,False
307,O=C1N(CN2Cc3ccccc3Cc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.48025674,False
308,O=C1N(COCc2cccc(Cl)c2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.33349302,False
309,O=C1N(c2cccc(Cl)c2)CCN1C1Cc2ccccc2CC2CC(O)CCC1C2,[*]N1CCN([*])C1=O,0.39828262,False
310,O=C1N(c2cccs2)CCN1C1COc2ccccc2C1,[*]N1CCN([*])C1=O,0.38082576,False
311,C#Cc1ccc(C(O)N(CCC)C2COc3c(CCC)cccc3C2)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.5260741,False
312,CC(CN1CCN(c2cccc(Cl)c2)C1=O)NC1CC(C)(C)CCC12CCC2,[*]N1CCN([*])C1=O,0.42773297,False
313,CC(c1ccccc1Cl)N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.55406857,False
314,CC1(C)C2CCCCC1(CN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.6006874,False
315,CC1(C)CCN(Cc2ccccc2)C(CN2CCN(c3ccc(F)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.41163123,False
316,CC1Cc2ccccc2N1CCN1CCN(c2cccc(Cl)c2Cl)C1=O,[*]N1CCN([*])C1=O,0.5610955,False
317,CCCCN(OC)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5444313,False
318,CCCc1cccc2c1OCC(N(CC)C(=O)c1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.26419017,False
319,CCN1CCCC1CNC(=O)c1c(C)ccc(OS(C)(=O)=O)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.57805806,False
320,CCOc1ccc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34124506,False
321,CCc1ccc(C)c(C(=O)NCC2CCCN2OC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17231864,False
322,CCc1cccc2c1OCC(N(Cc1ccccc1)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.27856585,False
323,CN1CCC(C)(C)CC1CN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5396187,False
324,CN1CCCCC(CN2CCN(Cc3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.41629565,False
325,CN1CCCCC1CN1CCN(c2cccc(OCCF)c2)C1=O,[*]N1CCN([*])C1=O,0.6107965,False
326,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc3ccccc3c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.42816463,False
327,COc1c(C(=O)NCCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.857215,True
328,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86473227,False
329,COc1ccc2sc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33619487,False
330,COc1cccc(CN2CCN(CC3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.3672713,False
331,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Br)cn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83129776,False
332,Cc1ccc(CC2CCCC2)c(C(=O)NCC2CCCN2Br)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16412121,False
333,Cc1ccc(CN2CCN(C3CCCOC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.25204286,False
334,Cc1cccc(CN(C)CN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.33897674,False
335,Cc1cccc(N2CCN(C3CCOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.19349928,False
336,Nc1ccc(F)c(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84561086,False
337,O=C(C=CC=Cc1ccccc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74125284,False
338,O=C(NCC=CCN1CCN(c2cc3cccc(Cl)c3[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4232672,False
339,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96173394,False
340,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93472844,False
341,O=C(NCC=CCN1CCN(c2ccncc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5028566,False
342,O=C1N(CCN2CCC3(CCCCc4ccccc43)CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.7221453,False
343,O=C1N(CCN2CCC3c4ccccc4CCCC32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.64810795,False
344,O=C1N(CCN2CCCc3sccc3C2)CCN1Cc1ccsc1,[*]N1CCN([*])C1=O,0.5579721,False
345,O=C1N(CCc2ccc3c(c2)Cc2ccccc2-3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5597308,False
346,O=C1N(OCCN2Cc3ccccc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.62138426,False
347,O=Cc1ccc(O)c(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48433033,False
348,CC(=O)N(CN1CCN(Cc2cccc(Cl)c2)C1=O)CC12CCC(CC1)CC2,[*]N1CCN([*])C1=O,0.16662928,False
349,CCCCN(CCC)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.77342886,False
350,CCCN(Cc1ccsc1)C1COc2c(cccc2C2CC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7655236,False
351,CCCN1CCCC1CNC(=O)c1c(CC)ccc(C)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.36004934,False
352,CCc1ccc(OC)c(OF)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2567305,False
353,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1csc(C#N)c1,[*]N1CCN([*])C1=O,0.7801324,False
354,CN1Cc2ccccc2C1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7559128,False
355,CNC(=O)c1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93775254,False
356,COCC1CCCN1CN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.33079585,False
357,COc1c(C(=O)NCCN2CCN(c3cccc(OC(C)=O)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7760412,False
358,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)ccc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46230233,False
359,COc1ccc(-c2c(C(=O)NCCN3CCN(O[O-])CC3)cc(Br)c3ccccc23)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3781719,False
360,COc1ccccc1C(=O)NCC=CCN1CCN(C2CCc3cc(O)ccc3C2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45403636,False
361,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3ccc2CCc2ccc(cc2)CCC3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49085954,False
362,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(C)cc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4637462,False
363,CSc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93740016,False
364,Cc1c(N)cccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6742866,False
365,Cc1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3C)CC2)c1C,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8596131,False
366,Cc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7565107,False
367,Cc1ccnc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63875705,False
368,N#CC(=CN1CCN(c2cccc(Cl)c2)C1=O)c1ccccc1,[*]N1CCN([*])C1=O,0.25112593,False
369,N#CC(CF)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.76201445,False
370,N#Cc1cc(N2CCN(CCN3CCc4ccsc4C3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.6542136,False
371,N#Cc1cccc(N2CCN(CCN3Cc4ccsc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.794605,False
372,N#Cc1cccc(N2CCN(Cc3ccc4ccccc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.39706543,False
373,O=C(C=Cc1ccccc1O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77771765,False
374,O=C(NCC=CCN1CCN(C2CC(O)Cc3ccccc3-c3ccccc32)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46422365,False
375,O=C(NCC=CCN1CCN(c2c(O)cccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37950644,False
376,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47037268,False
377,O=C(NCC=CCN1CCN(c2ccc3c(c2)OCCC3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35220796,False
378,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(OCCF)c(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85878146,False
379,O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1cc(Br)c2ccccc2c1O,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7853593,False
380,O=C1N(CC2CCOOC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5782923,False
381,O=C1N(CC2CNC3CCCCC3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.41612855,False
382,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.6685262,False
383,O=C1N(CCN2CCCc3sccc3C2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.7040329,False
384,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.91078204,True
385,O=C1N(CCOCC2CC3CCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6551046,False
386,O=C1N(CN2CCCC3CCc4ccccc4CC32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5173807,False
387,CC(C)(C)c1ccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.8430342,False
388,CC1(C)C2CC(N3CCN(c4cccc(C(F)(F)F)c4)C3=O)CC1(Cc1ccccc1)C2,[*]N1CCN([*])C1=O,0.34629256,False
389,CCCCN(C(=O)O)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41686693,False
390,CCCCOc1c(O)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6444982,False
391,CCCc1cccc2c1OCC(N(CCCN1C(=O)CC3(CCCCC3)CC1=O)COC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5115108,False
392,CCN(C)CCN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.72242725,False
393,CCc1cccc2c1OCC(N(COC)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.45741525,False
394,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC1CCC2CC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.7271701,False
395,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1sccc1F,[*]N1CCN([*])C1=O,0.7041662,False
396,COCC1C2CCCC1N(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.52862245,False
397,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([N+](=O)[N+](=O)[O-])c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.25224033,False
398,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2[N+](N)=O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.43192956,False
399,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2[SH](C)(=O)c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.40971437,False
400,COc1cc2ccc(O)cc2cc1C(=O)NCC=CCN1CCN(c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95890146,False
401,COc1ccc(OC)c(N2CCN(CCN3CCCc4sccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.49277985,False
402,COc1cccc(N2CCN(C3COOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.28030494,False
403,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccn[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4098825,False
404,COc1ccccc1N1CCN(CC=CCNC(=O)C2CCc3ccccc3-c3ccccc32)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6757746,False
405,Cc1ccc(Br)c(OO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21689254,False
406,Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86235166,False
407,Cc1ccc(N2CCN(CCN3CCCCCCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.81662756,False
408,O=C(CC1c2ccccc2-c2ccccc21)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74178886,False
409,O=C(Cc1ccc(Cl)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7655705,False
410,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(O)cc3)cc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60509115,False
411,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2nc(O)ccc2cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9070683,False
412,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc([N+](=O)F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94483566,False
413,O=C(NCC=CCN1CCN(c2cccc(F)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49761915,False
414,O=C(NCC=CCN1CCN(c2cccc3c2C=CC=C(O)C3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6789799,False
415,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc2sccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8983033,False
416,O=C1N(CC(F)(F)F)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.37798148,False
417,O=C1N(CCN2CC3CCC2Cc2ccccc2C3)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.6557339,False
418,O=C1N(CCN2CCC(c3cccc(Cl)c3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.9401162,False
419,O=C1N(CCN2CCCC3CCCCCC32)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.49451536,False
420,O=C1N(CCc2cc3ccccc3s2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.5537204,False
421,O=C1N(CN2CCCC2COCc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6015177,False
422,O=C1N(CN2CCCC2COc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5186655,False
423,O=C1N(Cc2nc3ccccc3s2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.24978118,False
424,CC(C)c1cccc(N2CCN(c3ccc4c(c3)C(O)C(C)CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.30157226,False
425,CC1CC2CC(C)(C)CC1N2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.70457375,False
426,CCC1(CCN(COC)C2COc3c(cccc3C(C)C)C2)CCCC1,[*]CN([*])C1COc2c([*])cccc2C1,0.45467964,False
427,CCCOc1ccc(OC)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9451531,False
428,CCN(C)CCN1CCN(c2ccccc2C)C1=O,[*]N1CCN([*])C1=O,0.39470482,False
429,CCN1CCCC1CNC(=O)c1c(C)ccc(CBr)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.66978055,False
430,CN1CCCC(CN2CCN(c3cccs3)C2=O)C1,[*]N1CCN([*])C1=O,0.31347078,False
431,CN1CCCCC1CN1CCN(c2cccnc2)C1=O,[*]N1CCN([*])C1=O,0.46182138,False
432,COc1c(C(=O)NCCN2CCN(c3ccccc3C=O)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.85924983,False
433,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3490534,False
434,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2OCc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86948,False
435,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccnc(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5091271,False
436,COc1ccccc1N1CCN(CC=CCNC(=O)C2=CC3=CC=CC(OCCF)=CC(=C2)N3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85948765,False
437,C[N+]c1cccc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34766924,False
438,Cc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9295344,False
439,Cc1nc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c(-c2ccccc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8148365,False
440,N#Cc1cccc(C2CCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.87569785,False
441,O=C(NCC=CCN1CCN(c2cc3cc(Cl)ccc3cc2O)CC1)c1cccc(Cl)c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5934878,False
442,O=C(NCC=CCN1CCN(c2ccc(Cl)nc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48723045,False
443,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccc(OCCF)cc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8835883,False
444,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ncccc1[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.8670881,False
445,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1cc2c(cc1O)-c1cc(F)ccc1Nc1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47050604,False
446,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccco2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82426393,False
447,O=C(NCC=CCN1CCN(c2ncccc2-c2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41257992,False
448,O=C1N(CC2CCN(c3cccc(Cl)c3)CC2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.4973447,False
449,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(F)c1Cl,[*]N1CCN([*])C1=O,0.8431281,False
450,O=C1N(CCN2CCC(OC(F)(F)F)CC2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.80430603,False
451,O=C1N(CCN2CCN(Cc3ccccc3Cl)CC2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.6294614,False
452,O=C1N(CCN2CCc3ccsc3C2)CCN1CC1CCCOC1,[*]N1CCN([*])C1=O,0.4056848,False
453,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)CO2,[*]N1CCN([*])C1=O,0.84075147,False
454,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccnc2sccc12,[*]N1CCN([*])C1=O,0.78785294,False
455,O=C1N(CN2CCCC(OCC(F)(F)F)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6232568,False
456,O=C1N(Cc2ccccc2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3704119,False
457,O=C1N(Cc2ccccc2Cl)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.34586307,False
458,CC12CCC(CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.7945377,True
459,CCCCN(CC)C1COc2c(cccc2C(=O)c2coc(C(=O)O)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.418307,False
460,CCCCN(Cc1ccc(C(=O)O)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3638836,False
461,CCCN(CC(=O)Nc1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.25129727,False
462,CCCN(CCC)C1COc2c(cccc2-c2cccc(C)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.74550056,False
463,CCCN(CCC)C1COc2c(cccc2C(=O)c2cc(C(F)(F)F)ccc2C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4887263,False
464,CCCc1cccc2c1OCC(N(CCC)C1=CC(C)=CC(=O)C1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4718519,False
465,CCCc1cccc2c1OCC(N(CCC)CC(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5037256,False
466,CCCc1cccc2c1OCC(N(CCC)Cc1cccc(OC)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.58771384,False
467,CCN1CCCC(CN2CCN(c3cccc(C)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.46408567,False
468,CCOCN1CCN(CCN2CCCC(C(F)(F)F)C2)C1=O,[*]N1CCN([*])C1=O,0.5405753,False
469,CCc1ccc(SC)c(OOC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7693615,False
470,CCc1cccc2c1OCC(N(CC(C)CC)c1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.46026757,False
471,COC(=O)c1ccccc1-c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3848473,False
472,COCC1C2CNCCC1(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.56474704,False
473,COc1c(C(=O)NCCN2CCN(c3cccc(S(=O)(=O)O)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8174693,False
474,COc1c(C)cccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.885582,False
475,COc1ccccc1-c1coc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7309212,False
476,COc1ccccc1CCON1CCN(CC=CCNC(=O)c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2530879,False
477,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(C)c2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90290743,False
478,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc([N+](C)=O)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9176476,False
479,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3O)o2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36491856,False
480,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1cccc(C(F)(F)F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4650357,False
481,O=C(NCC=CCN1CCN(c2ccc(F)cc2)CC1)c1c(Cl)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51914334,False
482,O=C(NCC=CCN1CCN(c2ccc3c(c2)-c2ccccc2C3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5443744,False
483,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1-c1cccc(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89859504,False
484,O=C(NCC=CCN1CCN(c2ccccc2C[N+][O-])CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8205704,False
485,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(-c2cccc(O)n2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89879423,False
486,O=C1N(CCCN2CCCCCC2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.5540347,False
487,O=C1N(CCN2CC3CCC(C2)C(Cc2ccccc2)c2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7596402,False
488,O=C1N(CCN2CCC(Cc3ccccc3)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.6601385,False
489,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(F)c(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.89351135,False
490,O=C1N(CCNCc2csc3ccccc23)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.4843437,False
491,O=C1N(Cc2ccc(Cl)cc2)CCN1CC1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.57677215,False
492,O=C1N(Cc2ccc3c(c2)CCCCC3)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.34271947,False
493,O=C1N(Cc2cccc(Cl)c2)CCN1c1ccc2cccnc2c1,[*]N1CCN([*])C1=O,0.3449183,False
494,O=C1N(c2ccc(Cl)cc2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.20418692,False
495,CC(C)N1CCc2ccc(N3CCN(c4ccccc4)C3=O)cc21,[*]N1CCN([*])C1=O,0.31334668,False
496,CC1(C)CC(N2CCN(Cc3cc4ccccc4s3)C2=O)c2ccccc2N1,[*]N1CCN([*])C1=O,0.394594,False
497,CC1CC(C)(C)CCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.8396542,False
498,CCCCN(O)C1COc2c(cccc2C(C)[O-])C1,[*]CN([*])C1COc2c([*])cccc2C1,0.44248435,False
499,CCCCN1CCCC1CNC(=O)c1c(OSC)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.4870084,False
500,CCCc1cccc2c1OCC(N(C=Cc1ccccc1)CCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5302324,False
501,CCCc1cccc2c1OCC(N(CC)c1ccc(F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5925412,False
502,CCCc1cccc2c1OCC(N(CCC)C(=O)c1ccc(C)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.25636774,False
503,CN1CCCc2cc(N3CCN(CC4Cc5ccccc5C4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.5504392,False
504,COC(F)(F)N1CCN(CCN2CCCCCC2)C1=O,[*]N1CCN([*])C1=O,0.5095149,False
505,COCC1C2CCCC1CN(CCN1CCN(c3cccc(C(F)(F)F)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.7773608,False
506,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(C)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67526436,False
507,COc1cc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3Cl)CC2)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4662079,False
508,COc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3[N+](=O)[O-])CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65955216,False
509,COc1cccc(N2CCN(c3ccc(CN4CCCCCC4)s3)C2=O)c1,[*]N1CCN([*])C1=O,0.35604343,False
510,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2CCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7059919,False
511,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccccc3)co2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88457716,False
512,CS(=O)(=O)Nc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76843613,False
513,C[SH](CN1CCN(CC2CCCCC2)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3541078,False
514,Cc1ccc(C)c(CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3667511,False
515,Cc1cccc(C(=O)NCC=CCN2CCN(c3cccc(F)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3976775,False
516,O=C(CN1CCN(CCN2Cc3ccccc3C2)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5496334,False
517,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccs1,[*]N1CCN([*])C1=O,0.11628636,False
518,O=C(NCC=CCN1CCN(c2ccc(Oc3ccccc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39517352,False
519,O=C(NCC=CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3671287,False
520,O=C(NCC=CCN1CCN(c2ccc3c(c2)CCc2ccccc2C3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4467612,False
521,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1cc2ccccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45108888,False
522,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5254766,False
523,O=C1N(CC(=O)N2CCCC3COCCCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.26265806,False
524,O=C1N(CCN2CC3COCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6940154,False
525,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.62305504,False
526,O=C1N(CCN2CCC(CF)CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.8033593,False
527,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(-c2ccccn2)c1,[*]N1CCN([*])C1=O,0.7816413,False
528,O=C1N(CNCC2CCCCC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.20767717,False
529,O=C1N(c2cccc(Cl)c2)CCN1C12CCC(CC1)CNC2,[*]N1CCN([*])C1=O,0.44743034,False
530,O=C1N(c2ccccc2)CCN1C1CCc2ccccc2CC12CCNC2,[*]N1CCN([*])C1=O,0.44861972,False
531,O=C1N(c2ccccc2O)CCN1C1CCN(Cc2cccc(Cl)c2)CC1,[*]N1CCN([*])C1=O,0.59858155,False
532,CC(=O)N(CC(F)(F)F)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.24903499,False
533,CC(=O)N1CCc2cc(CN3CCN(c4cccc(C(F)(F)F)c4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.1894213,False
534,CC(C)CN(CS(C)(=O)=O)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.35338843,False
535,CC1(C)CC2CCCC2(CNCCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.64026266,False
536,CCCN(CCC)C1COc2c(cccc2C(=O)n2ccc(C(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5253061,False
537,CCCN1CCc2ccccc2C1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.69251347,False
538,CCN(CC(=O)c1ccco1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.23725024,False
539,CCN1CCCC1CNC(=O)c1c(C)ccc(SO)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6573992,False
540,CCN1CCCC1CNC(=O)c1c(CCF)ccc(Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8669084,False
541,CCN1CCCC1CNC(=O)c1c(OC)ccc([N+](=O)[O-])c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7366147,False
542,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(F)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4219122,False
543,CN1CCC2(C)CC1CC(N1CCN(c3cccc(Cl)c3)C1=O)C(C)(C)C2,[*]N1CCN([*])C1=O,0.517488,False
544,COc1c(C(=O)NCCN2CCN(c3cc(C)ccc3Br)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7376005,False
545,COc1ccc2c(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)ccnc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64557326,False
546,COc1cccc(COCCN2CCN(Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.42252544,False
547,COc1cccc(OC)c1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7987615,False
548,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3c(c2)OCO3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3580648,False
549,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(C)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8881122,False
550,Cc1c(C(=O)NCCN2CCN(c3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7818141,False
551,Cc1ccc(-c2ccccc2)c(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5136449,False
552,Cc1cccc(N2CCN(CCN3CCN(Cc4ccc5ccccc5c4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.6919675,False
553,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)C(=O)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40924945,False
554,O=C(NCC=CCN1CCN(c2c[nH]c3cc(O)ccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4774165,False
555,O=C(NCC=CCN1CCN(c2ccc(O)c(F)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4350651,False
556,O=C(NCC=CCN1CCN(c2ccc3ccc(O)nc3c2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5267343,False
557,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1-c1ccncn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8988549,False
558,O=C(NCC=CCN1CCN(c2ccnc([N+](=O)[O-])c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38826734,False
559,O=C1N(CC2CC3CCCC(CC3)N2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.60364264,False
560,O=C1N(CC2CCc3ccsc3O2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.66259646,False
561,O=C1N(CCOC2CCCNC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.43987864,False
562,O=C1N(CNCC2(c3ccccc3)CCCC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.3272094,False
563,O=C1N(Cc2ccccc2Cl)CCN1CC1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.495723,False
564,O=C1N(c2cccc(Cl)c2)CCN1c1ccc2c(c1)CCN2C(=O)Cc1ccccc1,[*]N1CCN([*])C1=O,0.19713284,False
565,O=C1N(c2cccc(Cl)c2)CCN1c1ccc2c(c1)N(Cc1ccccc1)CC2,[*]N1CCN([*])C1=O,0.45337808,False
566,C=CN(CCCC)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5887139,False
567,C=[N+](c1ccccc1)c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.43120623,False
568,CC(C)NC1CCC(N2CCN(c3ccncc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.17820051,False
569,CC1(C)CC2CCCC(C1)N2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7473876,False
570,CC1CCC2(CCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C2)C1,[*]N1CCN([*])C1=O,0.7980007,False
571,CC1CCCN(CCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7826849,False
572,CCCCN(CC)C1COc2c(cccc2-c2ccccc2O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47402734,False
573,CCCN(CCC)C1COc2c(cccc2C(O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7079613,False
574,CCCN(CCCCN1C(=O)CCC2(CCCC2)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7001872,False
575,CCN(CC(C)C)C1COc2c(cccc2-c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5853775,False
576,CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19610485,False
577,CCOc1c([SH](C)O)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.66880006,False
578,CCSc1ccc(Cl)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8109679,False
579,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C(=O)c2ccc([N+](=O)[O-])cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34322056,False
580,COc1ccc(-c2[nH]ccc2C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85761535,False
581,COc1ccc(Cl)cc1C(=O)NCC=CCN1CCN(c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93568736,False
582,COc1cccc(C2CCCCN2CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.43413776,False
583,COc1cccc(C2CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.9203067,False
584,COc1ccccc1C(=O)NCC=CCN1CCN(OCCc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2261601,False
585,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(N)c(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50005424,False
586,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccccc3)[nH]c2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82357305,False
587,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(N)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.949419,False
588,CSN1CCCC1CNC(=O)c1c(C)ccc(C)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1380939,False
589,Cc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7489137,False
590,N#Cc1cc(N2CCN(CCNC3Cc4ccccc4C3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.54723823,False
591,O=C(NCC=CCN1CCN(c2ccc(-c3ccn[nH]3)cc2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46979973,False
592,O=C(NCC=CCN1CCN(c2ccc(-c3cn[nH]c3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48511314,False
593,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1[nH]nc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51978266,False
594,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccc(O)cc2cc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8685791,False
595,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1nc2ccccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76779544,False
596,O=C(NCCN1CCN(Cl)CC1)c1cc(Br)c2ccccc2c1-c1ccccc1[N+](=O)[O-],[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3795803,False
597,O=C1N(CC(F)(F)F)CCN1C1CCc2ccoc2CC1,[*]N1CCN([*])C1=O,0.48222184,False
598,O=C1N(CCN2CCc3ccsc3C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.66080195,False
599,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccco1,[*]N1CCN([*])C1=O,0.75209194,False
600,O=C1N(c2ccccc2)CCN1C1CCCCCN1,[*]N1CCN([*])C1=O,0.21392336,False
601,CC(=O)NCc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42889738,False
602,CC(C)(C)c1cccc(CCN2CCN(c3ccccc3Cl)C2=O)c1,[*]N1CCN([*])C1=O,0.40170062,False
603,CC(CN1CCN(c2cccc(OC(F)(F)F)c2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.40629983,False
604,CC(c1cccc(Cl)c1)N1CCN(CC2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.53649086,False
605,CCCN(Cc1ccccc1C)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56861377,False
606,CCCc1cccc2c1OCC(N(CCC)C(=O)C1(C)CCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.48406342,False
607,CCN(CO)C1COc2c(CC3CCCCC3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41511744,False
608,CCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OCCCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6391051,False
609,CCc1ccc(C)c(C(=O)NCC2CCCN2O)c1OSC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.13418314,False
610,CCc1cccc2c1OCC(N(CC(=O)NC)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.17287736,False
611,CN(C)c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35107747,False
612,COCC1CCCN1CCN1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.5889318,False
613,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)C2c3ccccc3-c3ccccc32)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59354305,False
614,COc1cccc(N2CCN(CC3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.6110685,False
615,COc1cccc(OCCN2CCN(c3cccc(OC)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.58478546,False
616,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(F)cn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42738903,False
617,COc1ccccc1N1CCN(CC=CCNC(=O)c2[nH]ccc2-c2ccc(F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88496345,False
618,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3cc(F)ccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9501003,False
619,Cc1nc2cc(CNCN3CCN(c4ccc(Cl)cc4)C3=O)ccc2s1,[*]N1CCN([*])C1=O,0.16914101,False
620,O=C(NCC=CCN1CCN(c2c[nH]c3ccccc23)CC1)c1c(F)cccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49399644,False
621,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(O)[nH]3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45826694,False
622,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(OCCF)ccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9398012,False
623,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2ccc(Cl)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85892636,False
624,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c[nH]c2cccc(OCF)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8884709,False
625,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(O)c(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9211909,False
626,O=C(NCC=CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1c(Cl)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70022494,False
627,O=C1N(CC2C3CCCNC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.581407,False
628,O=C1N(CCCN2CCc3ccccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.62582535,False
629,O=C1N(CCN2CCC(c3ccc(Cl)cc3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.896151,False
630,O=C1N(CCN2CCC3(CCCC3(O)c3ccccc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7866091,False
631,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(OCC(F)(F)F)cc1,[*]N1CCN([*])C1=O,0.82786924,False
632,O=C1N(CCn2ccc(Cl)c2)CCN1c1cccc2c1Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.57219595,False
633,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.6368737,False
634,O=C1N(Cc2ccccc2)CCN1Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.37246946,False
635,O=C1c2ccccc2CN1CCN1CCN(Cc2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.61328274,False
636,C#Cc1ccc(CN(CC)C2COc3c(CCC)cccc3C2)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.61770535,False
637,C=CCOc1c(Br)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23705485,False
638,C=S(=O)(O)c1ccc(C)c(C(=O)NCC2CCCN2CC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.61279434,False
639,CC(C)N1CCN(CCN2CCN(CC(F)(F)F)C2=O)CC1,[*]N1CCN([*])C1=O,0.57287985,False
640,CC1c2ccccc2CC2CCC1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.7227015,False
641,CCCCN(CCc1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.60403365,False
642,CCCCN(CNC(C)=O)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4382386,False
643,CCCCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6359344,False
644,CCCc1cccc2c1OCC(N(CC)CCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.7228059,False
645,CCN(CC(C)C)C1COc2c(cccc2C(=O)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.29493684,False
646,CCN1CCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7613355,False
647,CCOc1c(OC)ccc(C)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15523626,False
648,CCc1ccc(C)c(C(=O)NCC2CCCN2SC)c1OCOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21008009,False
649,CN1CC2Cc3ccccc3CC1(C)C(N1CCN(c3ccc(Cl)cc3)C1=O)C2,[*]N1CCN([*])C1=O,0.44884273,False
650,CN1CCCCC1CN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.6325594,False
651,COc1ccc([N+](=O)[O-])cc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56051326,False
652,COc1cccc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)c1C,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37560982,False
653,COc1ccccc1C(=O)NCC=CCN1CCN(C2CCc3ccccc3O2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4002638,False
654,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(F)cc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.579685,False
655,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9374818,False
656,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc([N+](=O)[O-])ccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8114431,False
657,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(OCc3cccc(F)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9364983,False
658,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(C#Cc3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93638206,False
659,Cc1cccc(CN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.7640196,False
660,N#Cc1cccc(N2CCN(CC3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.5608497,False
661,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)nc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7025889,False
662,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(Nc2ccccc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8057985,False
663,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1[nH]ccc1-c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77426904,False
664,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc2cc(OCCF)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9124949,False
665,O=C1N(CCN2CCC3c4ccccc4CCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.71204257,False
666,O=C1N(CCN2CCCCCC2)CCN1Cc1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.5507432,False
667,O=C1N(Cc2cccc(Cl)c2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.6199747,False
668,O=C1N(OCCN2Cc3ccccc3C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.6045813,False
669,O=C1N(c2ccc(F)c(Cl)c2)CCN1C1CCCCN1Cc1cccc(F)c1,[*]N1CCN([*])C1=O,0.3141082,False
670,O=C1N(c2ccc3sccc3c2)CCN1c1cccc2c1Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.26776105,False
671,CC(C)N1CCN(CCN2CCN(c3ccccn3)C2=O)CC1,[*]N1CCN([*])C1=O,0.76474726,False
672,CCCc1ccc(C)c(OC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20985572,False
673,CCCc1cccc2c1OCC(N(CCC)C(O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.57047373,False
674,CCCc1cccc2c1OCC(N(CCC)c1cccn1C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.7284372,False
675,CCOc1c(C)ccc(SO)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.65554994,False
676,CCOc1c(C)ccc(SO)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15734884,False
677,CCOc1c(CC)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.64490706,False
678,CCc1cccc2c1OCC(N(CCl)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.45621133,False
679,CN(CCN1CCN(c2ccccc2)C1=O)Cc1cccs1,[*]N1CCN([*])C1=O,0.61295533,False
680,COC1CCCCc2ccc(CN3CCN(c4ccc5c(c4)NCCC5)C3=O)cc21,[*]N1CCN([*])C1=O,0.4543659,False
681,COCC1C2CCCC1CN(CCN1CCN(c3cc(Cl)cc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.63133514,False
682,COc1c(C(=O)NCCN2CCN(c3cccc([O-])c3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.88473266,False
683,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)CCNC(=O)c2ccc(F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5522122,False
684,COc1cc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)ccc1C,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.85738176,False
685,COc1cc2cc[nH]c2cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8579239,False
686,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(-n4cccc4)cc3)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38223702,False
687,COc1ccc(C(=O)NCC=CCN2CCN(c3ncccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3805518,False
688,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(C(F)(F)F)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40392482,False
689,COc1ccc(O)c(C(=O)NCC2CCCN2C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.26751414,False
690,COc1ccc2c(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)c[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7201964,False
691,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(OC)c4F)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3912813,False
692,COc1cccc(N2CCN(CCN3CC4(C)CC5CCCC3(C5)C4)C2=O)c1,[*]N1CCN([*])C1=O,0.5784551,False
693,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92429465,False
694,Cc1cccc(CN(C)CN2CCN(c3ccc(F)cc3)C2=O)n1,[*]N1CCN([*])C1=O,0.28961498,False
695,N#Cc1ccc(CNC(=O)CN2CCN(c3ccc(Cl)cc3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.046729095,False
696,Nc1cccc(C(=O)NCC=CCN2CCN(c3ccccn3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51276463,False
697,O=C(NCC=CCN1CCN(c2ccc3cc[nH]c3c2)CC1)c1cccc(F)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4553451,False
698,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cc(O)ccc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8812829,False
699,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(Br)c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8712496,False
700,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1c[nH]c2c(OCCF)cccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71735156,False
701,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cnc2ccccc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8196286,False
702,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)NCc1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81997377,False
703,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccoc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.902136,False
704,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.91545117,True
705,O=C1N(CCc2ccccc2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.46306854,False
706,O=C1N(CN2CCN(Cc3cc4ccccc4s3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.52209824,False
707,CCCN(CCC)C1COc2c(Cc3ccco3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6039072,False
708,CCCN(CCC)C1COc2c(cccc2-c2ccccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6387907,False
709,CCCc1cccc2c1OCC(N(CCC)C(N)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4957792,False
710,CCN(C)CCN1CCN(c2cc(Cl)cc(OC)c2)C1=O,[*]N1CCN([*])C1=O,0.61525327,False
711,CCN1CCCC1CNC(=O)c1c(SC)ccc(C)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7211349,False
712,CCc1ccc(C)c(C(=O)NCC2CCCN2SC)c1OCCCCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22916235,False
713,CN(CCN1CCN(c2ccc(F)c(Cl)c2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.5799555,False
714,CN(CCN1CCN(c2ccccc2)C1=O)Cc1ccsc1,[*]N1CCN([*])C1=O,0.62394375,False
715,CN(CCN1CCN(c2cccnc2)C1=O)Cc1cccs1,[*]N1CCN([*])C1=O,0.5714636,False
716,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2c([N+](=O)[O-])cccc2[N+](=O)[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34512734,False
717,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2Cc2cccc([N+](=O)[O-])c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3103904,False
718,COc1cc(CCF)ccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.654253,False
719,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2cccc(OC)c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5337366,False
720,COc1ccc(-c2csc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9097976,False
721,COc1cccc(N2CCN(CC=CCNC(=O)c3cc(-c4ccc(Cl)cc4)oc3O)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35703805,False
722,COc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3)CC2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33606562,False
723,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3c2-c2ccccc2Cc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83139575,False
724,Cc1cc(CNCCN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)ccn1,[*]N1CCN([*])C1=O,0.2183292,False
725,Cc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80536467,False
726,N#Cc1cccc(N2CCN(C3CCCNC3Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.424578,False
727,Nc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8789578,False
728,Nc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43534756,False
729,O=C(CN1CCN(c2ccccc2Cl)C1=O)NCc1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.06641164,False
730,O=C(NCC=CCN1CCN(c2ccc3cc(F)ccc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4964091,False
731,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8954764,False
732,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(OCCF)c1Oc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84630156,False
733,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ncccc1-c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8859862,False
734,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1cccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46168843,False
735,O=C(NCC=CCN1CCN(c2cccc3ncccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67014,False
736,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.947876,False
737,O=C1COc2cc(N3CCN(CCN4Cc5ccccc5C4)C3=O)ccc2N1,[*]N1CCN([*])C1=O,0.79699624,False
738,O=C1N(CC2CCCCN2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.6058597,False
739,O=C1N(CCN2CCC(c3ccccc3)CC2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.800838,False
740,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.7380906,False
741,O=C1N(Cc2ccc(C3CCCCC3)nc2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.3399504,False
742,CC(N)c1sccc1N1CCN(CC(F)(F)F)C1=O,[*]N1CCN([*])C1=O,0.2431052,False
743,CC(c1ccccc1)N1CCN(CC2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.37024826,False
744,CC1Cc2ccccc2N1C(C)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5690412,False
745,CCCN(C(C)C)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6761087,False
746,CCCN(COC(=O)c1ccc(C(F)(F)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3833147,False
747,CCN1CCCC1CNC(=O)c1c([SH](C)O)ccc(C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.85166603,False
748,CCOCN1CCN(CCN2CCN(c3ccccc3C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.6854169,False
749,CCOc1c(OC)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2668842,False
750,CCc1ccc(C)c(C(=O)NCC2CCCN2[SH](C)O)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16151822,False
751,CCc1ccc(CCCl)c(OO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.203967,False
752,CCc1cccc2c1OCC(N(CC(C)(C)c1ccccc1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.46098003,False
753,CN(Cc1cccs1)CN1CCN(c2ccc(Cl)c(F)c2)C1=O,[*]N1CCN([*])C1=O,0.39198926,False
754,CN1CCCC(CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6561975,False
755,CN1CCCCC1N1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.32515302,False
756,CN1CCCCCC1CN1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.41425744,False
757,CNc1c(C(=O)NCCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.6938947,False
758,COCC1CCCN1CN1CCN(c2csc3ccccc23)C1=O,[*]N1CCN([*])C1=O,0.33192575,False
759,COc1cccc(N2CCN(CC3COCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.4447588,False
760,COc1ccccc1C(=O)NCC=CCN1CCN(c2c(OC)cccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39807335,False
761,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ncc[nH]3)c(F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8671682,False
762,Cc1cccc(N2CCN(c3cc(C)cs3)C2=O)c1,[*]N1CCN([*])C1=O,0.18610097,False
763,O=C(C=Cc1ccccc1Cl)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77891064,False
764,O=C(NCC=CCN1CCN(c2c(OCCF)ccc3nc(O)ccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4405559,False
765,O=C(NCC=CCN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6403812,False
766,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6005221,False
767,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1c[nH]c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4784044,False
768,O=C(NCC=CCN1CCN(c2ccnc(O)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45553955,False
769,O=C1N(CC2CCCc3ccsc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5637406,False
770,O=C1N(CC2CCc3ccoc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.64718443,False
771,O=C1N(CC2Cc3ccccc3C2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.49263537,False
772,O=C1N(CC2Cc3ccccc3ON2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.4985604,False
773,O=C1N(CC2NCC3CC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5927953,False
774,O=C1N(CCN2CCC(OC(F)(F)F)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.930575,False
775,O=C1N(CCN2CCCc3cc(cs3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.75058275,False
776,O=C1N(c2cccc(Cl)c2)CCN1C1CCNC(C(F)(F)F)C1,[*]N1CCN([*])C1=O,0.4827942,False
777,O=C1c2ccccc2CC1CN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.5300498,False
778,CC1(C)CC2CCC(C1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.8165822,False
779,CC1CCCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.84305745,False
780,CCCCN(OCc1ccc(C(F)(F)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43846166,False
781,CCCc1cccc2c1OCC(N(CO)C1CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5265303,False
782,CCN1CCCC1CNC(=O)c1c(C)ccc(Br)c1OCC=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.68179005,False
783,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.7440395,False
784,COC(F)c1cccc(N2CCN(C3CCCCN(C)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.46453667,False
785,COCCN1CCN(CCN2CCc3ccsc3C2)C1=O,[*]N1CCN([*])C1=O,0.53547704,False
786,COc1c(C(=O)NCCN2CCN(c3ccccc3Br)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8459394,False
787,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43858334,False
788,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c(Oc2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65085936,False
789,COc1ccc2sc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4OC)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64021015,False
790,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)[nH]2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9010009,False
791,COc1cccc(N2CCN(CC3CCCNC3)C2=O)c1,[*]N1CCN([*])C1=O,0.47540048,False
792,COc1cccc2[nH]cc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78972065,False
793,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3)c(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44686696,False
794,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(F)c(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83108157,False
795,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(OCCF)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9237296,False
796,N#Cc1ccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.815342,False
797,N#Cc1cccc(N2CCN(C3CCNCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.4551264,False
798,Nc1ccccc1CCC(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6372425,False
799,O=C(NCC=CCN1CCN(c2[nH]ccc2-c2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41058993,False
800,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(OCCF)c(Oc2ccc(F)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82247186,False
801,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccnc1-c1ccc(Br)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.856881,False
802,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(-c2ccncc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80623627,False
803,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(F)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85943156,False
804,O=C(NCC=CCN1CCN(c2ncccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3852376,False
805,O=C1N(CCN2CCCC3CCc4ccccc4CC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7146611,False
806,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccnc1Cl,[*]N1CCN([*])C1=O,0.8213749,False
807,O=C1N(CN2Cc3ccccc3C2)CCN1C1CCOCC1,[*]N1CCN([*])C1=O,0.4724965,False
808,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1c1ccc2c(c1)CNC2,[*]N1CCN([*])C1=O,0.2763301,False
809,O=C1N(c2cccc(C(F)(F)F)c2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.23660138,False
810,O=C1N(c2ccccc2)CCN1C1CCC(NCc2cccc(Cl)c2)CC1,[*]N1CCN([*])C1=O,0.34985614,False
811,CC1(C)CC2CC1Cc1ccccc1CCC2N1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.41537026,False
812,CC1Cc2ccccc2N(CCN2CCN(c3ccccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.5771645,False
813,CCCc1cccc2c1OCC(N(CC)c1ccc(C(=O)OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.23269922,False
814,CCCn1cccc1CN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.42435354,False
815,CCN(Cc1ccccc1)CN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.4151957,False
816,CCN1CC2Cc3ccccc3CC1CCCCN2CCCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.58372337,False
817,CCN1CCCC1CNC(=O)c1c(F)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.911232,False
818,CCOc1c(OC)ccc(N)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24475338,False
819,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc3c(c2)COO3)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3976337,False
820,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2Oc2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.41810104,False
821,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OCCF)cc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63260514,False
822,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85660446,False
823,Cc1ccc(O)cc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84869176,False
824,Cc1cccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43133327,False
825,Cc1cccc(CN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)n1,[*]N1CCN([*])C1=O,0.28845364,False
826,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.384821,False
827,Cc1coc(CN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.7240633,False
828,O=C(NCC=CCN1CCN(CC=Cc2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32553983,False
829,O=C(NCC=CCN1CCN(c2cc3ccccc3cc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59987617,False
830,O=C(NCC=CCN1CCN(c2ccc(-c3c[nH]c(O)c3)cc2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41223982,False
831,O=C(NCC=CCN1CCN(c2ccc(-c3ncccn3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46621117,False
832,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93782383,False
833,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1nccc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88346875,False
834,O=C(NCC=CCN1CCN(c2ccccc2O)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75693905,False
835,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cnco2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9146713,False
836,O=C1N(CCN2CC3CCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.6323862,False
837,O=C1N(CCN2CC3CCCCC(C3)C2c2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.679775,False
838,O=C1N(CCN2Cc3ccccc3C2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.62475544,False
839,O=C1N(CCNC2CCCc3sccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5463681,False
840,O=C1N(CCn2cccc2-c2cccc(Cl)c2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.49449188,False
841,O=C1N(CN2CCCC3CCC2Cc2ccccc2NC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.63489336,False
842,O=C1N(Cc2ccc(Cl)cc2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.40701184,False
843,O=C1N(Cc2cccc(Cl)c2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.40345547,False
844,O=C1N(Cc2ccccc2)CCN1CC1CCCOC1,[*]N1CCN([*])C1=O,0.3598846,False
845,O=C1N(c2cccc(C(F)(F)F)c2)CCN1C1CCCC(COCc2ccccc2)N1,[*]N1CCN([*])C1=O,0.37593606,False
846,CC(CN1CCN(c2cccc(Cl)c2)C1=O)CC1(C)CC2CCC(C1)N2C(C)C,[*]N1CCN([*])C1=O,0.5197122,False
847,CC1(C)CC2CCC13CCCN(CCN1CCN(c4cccc(Cl)c4)C1=O)C3C2,[*]N1CCN([*])C1=O,0.74818385,False
848,CC1CC2CCC(CN3CCN(c4cccc(Cl)c4)C3=O)(C1)C2(C)C,[*]N1CCN([*])C1=O,0.62100726,False
849,CCCN(CCC)C1COc2c(cccc2-c2cc(C(C)=O)c[nH]2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56117266,False
850,CCNC(c1cccs1)N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.3534946,False
851,COC1=CC2=C(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)C=CC=CC=CC2=C1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3866089,False
852,COC1Cc2ccccc2C1N1CCN(Cc2ccc3ccccc3c2)C1=O,[*]N1CCN([*])C1=O,0.41516283,False
853,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cc(Cl)ccc2N)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.46493974,False
854,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45188445,False
855,COc1ccccc1N1CCN(CC=CCNC(=O)CCc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6760948,False
856,Cc1ccc(N2CCN(CC(=O)NCc3cccc(C)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.0692031,False
857,Cc1cccc(N2CCN(CCN3CCCCCC3C)C2=O)c1,[*]N1CCN([*])C1=O,0.54177755,False
858,Cc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cccc(F)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40432316,False
859,N#Cc1cccc(N2CCN(C3CCCN(Cc4ccccc4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.4591313,False
860,N#Cc1cccc(N2CCN(CCN3CCc4ccc(C#N)cc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.78065544,False
861,Nc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9225523,False
862,O=C(C1CCCCC1)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.49784178,False
863,O=C(NCC=CCN1CCN(c2cc(F)ccc2OCCF)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.61437666,False
864,O=C(NCC=CCN1CCN(c2ccc(-c3cccc([N+](=O)F)c3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45523933,False
865,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55826896,False
866,O=C(NCC=CCN1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)c(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43540803,False
867,O=C(NCC=CCN1CCN(c2ccc3nc(O)ccc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48508596,False
868,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c(Cl)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93558264,False
869,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccccc2)[nH]n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8843737,False
870,O=C(NCC=CCN1CCN(c2ccccc2C(F)(F)F)CC1)c1ccc(CCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8033844,False
871,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)C(=O)c1cccc(Oc2ccccc2F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75021845,False
872,O=C1N(CCN2CC3CCC2Cc2ccccc2C3)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.6981298,False
873,O=C1N(CCN2CCCCCCC2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.8397795,False
874,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.7213776,False
875,O=C1N(CN2CCCC(OCC(F)(F)F)C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.5563702,False
876,O=C1N(Cc2cccc3c2CCNC3)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.45063242,False
877,O=C1N(Cc2cccs2)CCN1CC1CCCNC1,[*]N1CCN([*])C1=O,0.40928134,False
878,O=C1N(c2ccc(F)cc2)CCN1C1CCCCN1CCc1ccccc1,[*]N1CCN([*])C1=O,0.3798682,False
879,C#Cc1ccc(N(CCC)C2COc3c(CCC)cccc3C2)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.61182135,False
880,C=Cc1cccc2c1OCC(N(CCCC)C(=O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.25053674,False
881,CC(=O)CN(C(C)C)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.25879344,False
882,CCCOc1c(CC)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20710208,False
883,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(C[O-])c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3171957,False
884,COc1c(C(=O)NCCN2CCN(c3ccccc3S(C)(=O)=O)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8475669,False
885,COc1cc(N2CCN(CC=CCNC(=O)c3cccc(OCCF)c3)CC2)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36697146,False
886,COc1ccc(-c2cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cs2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9248797,False
887,COc1ccc(-c2ccsc2C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79633063,False
888,COc1ccc(C(=O)N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.14310871,False
889,COc1cccc(Cl)c1N1CCN(CC=CCNC(=O)c2ccc(-c3cccnc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3599132,False
890,COc1cccc(N2CCN(C3CCNC(C)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.288457,False
891,COc1cccc(N2CCN(CC3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.5664451,False
892,COc1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c1[O-],[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7798786,False
893,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(-c3ccc(F)cc3)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39161837,False
894,Cc1ccccc1N1CCN(CC2CCC(C)(C)CN2)C1=O,[*]N1CCN([*])C1=O,0.33258247,False
895,N#Cc1cc(N2CCN(CCNCc3cccs3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.29323557,False
896,O=C(Cc1ccccc1O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7551631,False
897,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)cn2)CC1)c1ccccc1C(F)(F)F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4338716,False
898,O=C(NCC=CCN1CCN(c2ccc(Br)s2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4245405,False
899,O=C(NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2-3)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5390682,False
900,O=C(NCC=CCN1CCN(c2ccc3sccc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44641933,False
901,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83118016,False
902,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Oc2cccc(F)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9355484,False
903,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc([N+](=O)[O-])s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91533107,False
904,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1cccc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85877657,False
905,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc2c(c1)C(=O)CCC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6191145,False
906,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccccn2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83460516,False
907,O=C1N(CC2CCCc3ccccc32)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.64905316,False
908,O=C1N(CCCN2C3CCCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.69679344,False
909,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc([N+](=O)[O-])cc1,[*]N1CCN([*])C1=O,0.50582176,False
910,O=C1N(CCNC2CC3CCC(CC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6674979,False
911,O=C1N(CN2CCCC(OCc3ccccc3)C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.54520124,False
912,O=C1N(c2ccc(F)cc2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.3403959,False
913,C#CC(C)N1CCc2cc(N3CCN(c4cccc(Cl)c4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.33328587,False
914,CC(C)(C)c1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.9245975,True
915,CC(C)N1CCN(c2ccccc2C2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.25572607,False
916,CC12CCCC(C1)N(CCN1CCN(c3cccc(F)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.6382689,False
917,CCCCCN(O)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5315189,False
918,CCCCc1ccc(Cl)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8051278,False
919,CCCN(CCC)C1COc2c(cccc2C(F)(F)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.80713975,False
920,CCCN(CCC)C1COc2c(cccc2[SH](=O)([O-])c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6373575,False
921,CCCN(CO)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54298687,False
922,CCCc1cccc2c1OCC(N(CCCN1C(=O)CC3(CCCC3)CC1=O)CC(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.46683794,False
923,CCN(CC)CCN1CCN(c2cc(Cl)ccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.42991996,False
924,CCN(CC)CN1CCN(c2cc(Cl)ccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.28381944,False
925,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3864889,False
926,CCc1ccc(Br)c(C(=O)NCC2CCCN2OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2588749,False
927,CN(CCN1CCN(CCN2Cc3ccccc3C2)C1=O)Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.75523245,False
928,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc([N+](=O)[O-])c(Cl)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35310233,False
929,COc1ccc(CNCN2CCN(CCN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.63454664,False
930,COc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8620602,False
931,COc1ccccc1COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8326447,False
932,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c3ccc(OCCF)cc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9380295,False
933,Cc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2c[nH]c3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60339284,False
934,Cc1cccc(N2CCN(C3CCc4sccc4NC3)C2=O)c1,[*]N1CCN([*])C1=O,0.27201843,False
935,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccn3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.385492,False
936,O=C(NCC=CCN1CCN(c2cc3c(O)cccc3s2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46424627,False
937,O=C(NCC=CCN1CCN(c2ccc(-c3cnc(O)[nH]3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42840996,False
938,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.973975,True
939,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(Cl)ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94486344,False
940,O=C(NCC=CCN1CCN(c2cccc3c2-c2ccccc2C3=O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7398768,False
941,O=C(NCC=CCN1CCN(c2ccccc2-n2ccnc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74454284,False
942,O=C1N(CC2(F)CCNCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.48259005,False
943,O=C1N(CCN2CCC3(CCc4ccccc4C3)CC2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.851527,False
944,O=C1N(CCN2CCCc3sccc3C2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.6622001,False
945,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2cccnc2c1,[*]N1CCN([*])C1=O,0.854064,False
946,O=C1N(CCOc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6826213,False
947,O=C1N(CNCc2cccc(F)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.36841318,False
948,CC(C)N1CCN(CCN2CCN(c3ccc(F)c(C#N)c3)C2=O)c2ccccc2C1,[*]N1CCN([*])C1=O,0.59173536,False
949,CC(C)N1CCN(c2ccc3c(c2)N(CCc2ccccc2)CC3)C1=O,[*]N1CCN([*])C1=O,0.39249158,False
950,CC(C)NC1CCC(N2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.29516262,False
951,CC(C)OC1CCCc2cccc(N3CCN(Cc4ccc(Cl)cc4)C3=O)c21,[*]N1CCN([*])C1=O,0.36335772,False
952,CCCCN(C(=O)C(F)(F)F)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4055609,False
953,CCCN(CCC)C1COc2c(N)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.85045743,False
954,CCCc1cccc2c1OCC(N(CC)CS(=O)(=O)c1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3545388,False
955,CCN1CCCC1CNC(=O)c1c(O)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.96674615,False
956,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1csc2ccccc12,[*]N1CCN([*])C1=O,0.7235881,False
957,CN1CCCC(N2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.44270027,False
958,COC1=CC2=C(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)C=CC2C=CC=C1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84268594,False
959,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2S(=O)(=O)[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.2898099,False
960,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5069531,False
961,COc1cc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7650387,False
962,COc1ccc2c(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4)CC3)c[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46303344,False
963,COc1ccc2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4[N+](=O)O)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34871176,False
964,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(Br)cc3)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41198847,False
965,Cc1cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3830603,False
966,Cc1ccc(F)cc1-c1ccc(CC(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60461396,False
967,Cc1cccc(C(=O)NCN2CCN(c3ccc4sccc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.12532218,False
968,O=C(NCC=CCN1CCN(c2cc3ccc(OCCF)cc3s2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3309307,False
969,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3F)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42754883,False
970,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1)c1cc(-c2ccccc2)[nH]n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6083656,False
971,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1cc(OCCF)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5465584,False
972,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)Oc1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89727163,False
973,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(F)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9240754,False
974,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90243995,False
975,O=C(NCC=CCN1CCN(c2cccc(F)c2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7520027,False
976,O=C(NN1CCN(CC=CCNC(=O)c2ccccc2Cl)CC1)c1ccncc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.24883598,False
977,O=C1N(CCN2CC3CCCC2Cc2ccccc2C3)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.4782602,False
978,O=C1N(Cc2ccccc2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.3791336,False
979,O=C1N(c2ccc3ccccc3c2)CCN1C1Cc2ccccc2C(O)C1,[*]N1CCN([*])C1=O,0.36546275,False
980,CC1C2CCC1(CN1CCN(c3cccc(Cl)c3Cl)C1=O)CC2NC1CCCC1,[*]N1CCN([*])C1=O,0.25570962,False
981,CC1CCN(C)C(N2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.38874975,False
982,CCCCN(N)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53689504,False
983,CCCCN(O)C1COc2c(cccc2C2CC3(CCCC3)C(=O)C=C(C)C2=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.35234568,False
984,CCCCN(c1ccsc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5423926,False
985,CCCN(C(C)C)C1COc2c(cccc2-c2c[nH]c3ccccc23)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52830034,False
986,CCCc1cccc2c1OCC(N(CC)CC=Cc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5059362,False
987,CCN1CCCC1CNC(=O)c1c(C)ccc(SC)c1OCF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6471138,False
988,CN1CC2CCCCC(CN3CCN(c4cccc(Cl)c4)C3=O)C1(C)C2,[*]N1CCN([*])C1=O,0.5959347,False
989,COC(NCN1CCN(c2cccc(Cl)c2)C1=O)C1CCCCC1,[*]N1CCN([*])C1=O,0.46869564,False
990,COCC1C2CC(N3CCN(c4cccc(Cl)c4)C3=O)CC1N(CCc1ccccc1)C2,[*]N1CCN([*])C1=O,0.43486035,False
991,COc1c(C(=O)NCCN2CCN(c3ccc([N+](=O)F)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8909599,False
992,COc1ccc(O)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8950951,False
993,COc1cccc(-c2cccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c2C)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6436424,False
994,COc1cccc(CCN2CCN(Cc3ccc4sccc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.31953737,False
995,COc1cccc(N2CCN(CNCC34CCC(CC3)Cc3ccccc3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.42559928,False
996,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccsc3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3947772,False
997,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OCc3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39385453,False
998,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc([N+](=O)[O-])c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7281333,False
999,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2-c2ccsc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8849536,False
1000,Cc1cc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)ccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74350226,False
1001,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1ccsc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5334451,False
1002,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccco2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8094618,False
1003,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Oc2ccccc2Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8846799,False
1004,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c[nH]c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8874522,False
1005,O=C(NCC=CCN1CCN(c2ccccc2OCc2ccccc2)CC1)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91618586,False
1006,O=C(NCC=CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.621705,False
1007,O=C1N(CC(F)(F)F)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.3455064,False
1008,O=C1N(CCN2CCCC(c3ccccc3)CC2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.81693226,False
1009,O=C1N(CCN2CCCCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.7926813,False
1010,O=C1N(CCN2CCCCCC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.8738945,True
1011,O=C1N(CCNCc2csc3ccccc23)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.45087558,False
1012,O=C1N(Cc2ccccc2Cl)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.59101534,False
1013,O=C1N(c2cccc(Cl)c2)CCN1C1CNCCC1F,[*]N1CCN([*])C1=O,0.43098396,False
1014,O=Cc1c(C(=O)NCCN2CCN(c3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.73392636,False
1015,CC(=O)N1CC(CN2CCN(c3cccc(Cl)c3)C2=O)Cc2ccccc21,[*]N1CCN([*])C1=O,0.35322967,False
1016,CC(C)c1ccc(N2CCN(CC3(C)Cc4ccccc4N3C)C2=O)cc1,[*]N1CCN([*])C1=O,0.37231287,False
1017,CC(c1cc2ccccc2s1)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7682912,False
1018,CCCCN(c1ccc(F)cc1)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.34817567,False
1019,CCCCN(c1ccoc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4794396,False
1020,CCCCN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.36086497,False
1021,CCCN(c1ccc(C(F)(F)F)cc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56896144,False
1022,CCN1CCCC1CNC(=O)c1c(Br)ccc(S)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8925686,False
1023,CCN1CCCC1CNC(=O)c1c(C)ccc(O)c1OCCCF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.65773654,False
1024,CCc1cccc2c1OCC(N(CCC(C)C)c1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4707948,False
1025,COc1c(C(=O)NCCN2CCN(c3ccc([N+](=O)[O-])c(Cl)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.79995835,False
1026,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1NCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3365019,False
1027,COc1cccc(N2CCN(C3NCC4CCc5ccccc5CC3CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.49423575,False
1028,COc1ccccc1-c1csc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45540503,False
1029,Cc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8051742,False
1030,Cc1ccccc1N1CCN(CCNCc2ccccn2)C1=O,[*]N1CCN([*])C1=O,0.242876,False
1031,N#Cc1ccccc1N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.60766256,False
1032,O=C(C=Cc1ccc(O)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72653306,False
1033,O=C(NCC=CCN1CCN(c2ccc(-c3cccs3)cc2)CC1)c1ccccc1CCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51059586,False
1034,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8295016,False
1035,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8001756,False
1036,O=C(NCC=CCN1CCN(c2cccc3ccc(OCCF)cc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66984284,False
1037,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.950839,False
1038,O=C1N(CC2CC3CCC(CO2)Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5521474,False
1039,O=C1N(CC2CCCCN2)CCN1c1cc([O-])cc(Cl)c1,[*]N1CCN([*])C1=O,0.3785639,False
1040,O=C1N(CCCc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7126461,False
1041,O=C1N(CCN2C3CCCC2Cc2ccccc2C3)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.51402646,False
1042,O=C1N(CCN2CC3CCCC(Cc4ccccc4CC3)C2)CCN1c1ccc(Cl)cc1F,[*]N1CCN([*])C1=O,0.52410895,False
1043,O=C1N(CCN2CCC3Cc4ccccc4CC2C3)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.48311594,False
1044,O=C1N(CCN2CCc3ccsc3Cc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.75360984,False
1045,O=C1N(CN2CCCC(C(F)(F)F)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.649611,False
1046,O=C1N(CN2CCCCC2COCc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.52467024,False
1047,O=C1N(Cc2ccc3sccc3c2)CCN1CC1COCCN1,[*]N1CCN([*])C1=O,0.26864612,False
1048,O=C1N(Cc2ccccc2Cl)CCN1C1CCc2ccsc2CC1,[*]N1CCN([*])C1=O,0.45097613,False
1049,CC(C)Oc1cccc(N2CCN(CCN3CCCc4sccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6452664,False
1050,CC1NC(CN2CCN(c3cccc(Cl)c3)C2=O)C(Cc2ccccc2)O1,[*]N1CCN([*])C1=O,0.6164346,False
1051,CCCN(C)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.771598,False
1052,CCCN(Cc1cc(C(=O)F)co1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4626652,False
1053,CCCN(Cc1ccc([N+](=O)[O-])cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48930562,False
1054,CCCOc1ccc(O)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8781447,False
1055,CCCc1cccc2c1OCC(N(CCc1ccccc1)OC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6907314,False
1056,CCOc1c(OSC)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2222228,False
1057,CCSc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5526481,False
1058,COC1=Cc2cc(C)c(cc2N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)C=C1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40004438,False
1059,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2C[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3701669,False
1060,COc1c(C(=O)NCCN2CCN(c3cc(C)ccc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.75086445,False
1061,COc1c(C(=O)NCCN2CCN(c3ccccc3[N+](=O)OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.809291,False
1062,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2ccc3ccccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4251693,False
1063,COc1cc2ccccc2cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6957839,False
1064,COc1ccc(C)c(OC)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2254189,False
1065,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3sccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9368467,False
1066,Cc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3CO)CC2)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.5942897,False
1067,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4114116,False
1068,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)s2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42804745,False
1069,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)c(Br)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.924408,False
1070,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1-c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9119664,False
1071,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2c(O)cccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8827476,False
1072,O=C(NCC=CCN1CCN(c2ccsc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46787107,False
1073,O=C(NCC=CCN1CCN(c2ncccc2[N+](=O)[O-])CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3466115,False
1074,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8286206,False
1075,O=C1N(CCN2CCC3CCc4ccccc4CC2CC3)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.40197772,False
1076,O=C1N(CCN2CCCC(O)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.79183894,False
1077,O=C1N(CCN2CCCCC2c2ccccc2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.5461423,False
1078,O=C1N(CCN2CCN(Cc3csc4ccccc34)CC2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.63008386,False
1079,O=C1N(CCNCC23CCCCC2CCC3)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.4523132,False
1080,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.34809747,False
1081,O=C1N(c2ccc3c(c2)COCO3)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.17376918,False
1082,O=C1N(c2cccc(Cl)c2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.32539752,False
1083,CC(C)NC1CCc2ccc(N3CCN(c4ccc5c(c4)CCCCC5)C3=O)cc21,[*]N1CCN([*])C1=O,0.27765393,False
1084,CC(C)NC1CCc2ccc(N3CCN(c4ccccc4Cl)C3=O)cc21,[*]N1CCN([*])C1=O,0.2958499,False
1085,CC(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCCc2ccccc21,[*]N1CCN([*])C1=O,0.37474242,False
1086,CCCCN(CC)C1COc2c(cccc2C(C)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5410068,False
1087,CCCCN(CC)C1COc2c(cccc2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37411115,False
1088,CCCCN(CCC)C1COc2c(cccc2S(=O)(=O)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.59617,False
1089,CCCCc1ccc(O)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.26032874,False
1090,CCOc1c(C)ccc(C)c1C(=O)NCC1CCCN1CCO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.31983092,False
1091,CCOc1c(C)ccc(SC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.66870785,False
1092,CN(C)CC12CCC1CC(CN1CCN(c3cccc(Cl)c3)C1=O)C2(C)C,[*]N1CCN([*])C1=O,0.5292308,False
1093,CN(CCN1CCN(Cc2cccc(Cl)c2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.6040006,False
1094,CN(Cc1ccccc1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5024551,False
1095,CNOc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42449215,False
1096,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cc([N+](=O)[O-])cs2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.36700967,False
1097,COc1cccc(N2CCN(CNCOC3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.3905954,False
1098,COc1cccc2c1CCCCN(CCN1CCN(c3cccc(N)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.6551886,False
1099,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3OC)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44048178,False
1100,COc1ccccc1C(=O)NCC=CCN1CCN(c2cnc3ccccc3n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4146213,False
1101,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8837506,False
1102,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cn2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9410076,False
1103,O=C(NCC=CCN1CCN(C(=O)C2c3ccccc3-c3ccccc32)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.27821776,False
1104,O=C(NCC=CCN1CCN(C2=Cc3ccccc3-c3ccccc3C2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44383857,False
1105,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47358224,False
1106,O=C(NCC=CCN1CCN(c2ccc(-c3ccsc3O)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4694835,False
1107,O=C(NCC=CCN1CCN(c2cccc3ccccc23)CC1)c1ccc(Cl)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74901223,False
1108,O=C1N(CC2C3CCCN2CCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.47145385,False
1109,O=C1N(CCN2CC3CCCCC2CCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7904953,False
1110,O=C1N(CCN2CCCC(c3ccccc3)CC2)CCN1Cc1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.62721705,False
1111,O=C1N(CCN2CCCC3CCC2C3Cc2ccccc2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.3857055,False
1112,O=C1N(CCN2CCCC3Cc4ccccc4CCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6760237,False
1113,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)OCC2,[*]N1CCN([*])C1=O,0.8507435,False
1114,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)OCOC2,[*]N1CCN([*])C1=O,0.84385526,False
1115,O=C1N(Cc2ccccc2)CCN1CN1CCCCCC1,[*]N1CCN([*])C1=O,0.39399108,False
1116,O=C1N(Cc2cccnc2)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.31474003,False
1117,CC(C#N)N1CCN(CCN2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.6374759,False
1118,CC(C)NCc1cccc(N2CCN(C3CCCOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.24080613,False
1119,CCCN(CC(C)=O)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53184956,False
1120,CCCN(CCC)C1COc2c(cccc2-c2ccc3ccccc3c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.75041443,False
1121,CCCc1cccc2c1OCC(N(CC)Cc1coc(C(=O)[O-])c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.28770742,False
1122,CCOC1CCCCc2cc(CN3CCN(c4ccc(Cl)cc4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.42709002,False
1123,CCOc1c(OC)ccc(SC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25854048,False
1124,CCOc1ccc(CC)c(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.28386855,False
1125,CCc1cccc2c1OCC(N(C)CC(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.497975,False
1126,CN(CCN1CCN(c2ccc(Cl)c(Cl)c2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.80871487,False
1127,CN(CCN1CCN(c2ccccn2)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.43260595,False
1128,COCC1CCC2CCC1CN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7497927,False
1129,COCC1CCC2CN(CCN3CCN(c4ccccc4)C3=O)C2C1,[*]N1CCN([*])C1=O,0.53510517,False
1130,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(C(=O)[N+](=O)[O-])c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.28077292,False
1131,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39300007,False
1132,COc1cccc(-c2ccc(Cl)c(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83375883,False
1133,COc1cccc(C(C)CN2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.5984695,False
1134,COc1cccc(C2CCN(CCN3CCN(c4ccccc4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.88782316,False
1135,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(C#Cc3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42305034,False
1136,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc([O-])cn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9059924,False
1137,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3cccc(OCCF)c3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8993378,False
1138,Nc1cc(OCCF)ccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6259443,False
1139,O=C(NCC=CCN1CCN(c2c(Cl)ccc(Cl)c2Cl)CC1)c1ccncc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35606936,False
1140,O=C(NCC=CCN1CCN(c2cc(Br)ccc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5474947,False
1141,O=C(NCC=CCN1CCN(c2cc3ccccc3cc2Cl)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5595548,False
1142,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(Br)cc3)nc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4266061,False
1143,O=C(NCC=CCN1CCN(c2ccc3c(OCCF)cccc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41864207,False
1144,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(O)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9620478,False
1145,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1OCCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9231347,False
1146,O=C(NCC=CCN1CCN(c2ccnc(Cl)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5228776,False
1147,O=C1N(CC2CCCCN2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.43052906,False
1148,O=C1N(CCCN2CC3CCCC2c2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.66337097,False
1149,O=C1N(CCOc2cc(Cl)ccc2Cl)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.65283567,False
1150,O=C1N(Cc2cc3ccccc3s2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.31988874,False
1151,CC(C)CN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.27742553,False
1152,CC1(C)CC2(CNCCN3CCN(c4cccc(Cl)c4)C3=O)CCC1CC2,[*]N1CCN([*])C1=O,0.6322194,False
1153,CC1(C)CCC(CN2CCN(c3cccc(N)c3)C2=O)NC1,[*]N1CCN([*])C1=O,0.58210546,False
1154,CC12CCCCC(CN3CCN(c4cccc(Cl)c4)C3=O)(CN1Cc1ccccc1)C2,[*]N1CCN([*])C1=O,0.4254305,False
1155,CC1CCc2ccc(N3CCN(CCN4CCc5ccccc5C4)C3=O)cc2C1O,[*]N1CCN([*])C1=O,0.6841842,False
1156,CCCN(O)C1COc2c(CCc3ccc(C)cc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49865404,False
1157,CCCc1cccc2c1OCC(N(CO)c1ccncc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5136671,False
1158,CCOc1c(CC)ccc(O)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22843356,False
1159,CN1Cc2ccccc2CC2CCC1CNC2N1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.38984776,False
1160,COCC1CCCN1CN1CCN(c2cccc(Cl)c2Cl)C1=O,[*]N1CCN([*])C1=O,0.36139646,False
1161,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6332131,False
1162,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c(O)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5453322,False
1163,COc1ccccc1N1CCN(CC=CCNC(=O)CNC(=O)c2ccc([N+](=O)[O-])cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76938105,False
1164,Cc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3)CC2)c(C)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44288695,False
1165,Cc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccs3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7137491,False
1166,N#Cc1cccc(N2CN(CCN3CCN(c4ccccc4)C3=O)CCC2CO)c1,[*]N1CCN([*])C1=O,0.5905071,False
1167,O=C(NCC=CCN1CCN(c2c(F)cccc2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45537883,False
1168,O=C(NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4106421,False
1169,O=C(NCC=CCN1CCN(c2ccc(O)c(-c3ccccc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49672166,False
1170,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1cccc(OCCF)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52533054,False
1171,O=C(NCC=CCN1CCN(c2ccccc2-c2ccccc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7786429,False
1172,O=C1N(CC(F)(F)N2Cc3ccccc3C2)CCN1c1cccc([N+](=O)[O-])c1,[*]N1CCN([*])C1=O,0.31685293,False
1173,O=C1N(CC2CCCCCN2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.36694258,False
1174,O=C1N(CC2CCCCN2Cc2csc3ccccc23)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.37682608,False
1175,O=C1N(CCN2CC3CCC(Cc4ccccc4C3)C2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.6755763,False
1176,O=C1N(CCN2CCc3sccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7774551,False
1177,O=C1N(CCc2ccccc2)CCN1CC1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.5847368,False
1178,O=C1N(CN2CCCCC(Cc3ccccc3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.45300484,False
1179,O=C1N(Cc2cc3ccccc3s2)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.35450035,False
1180,O=C1N(Cc2ccccc2Cl)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.356204,False
1181,O=C1N(c2ccc(Cl)c(F)c2)CCN1C1CCCCN1CCc1ccccc1,[*]N1CCN([*])C1=O,0.37322357,False
1182,O=C1N(c2cccc(Cl)c2)CCN1c1cccc(CN2CCC(C(F)(F)F)CC2)c1,[*]N1CCN([*])C1=O,0.7850019,False
1183,CC(C)(C)c1ccc(N2CCN(CCN3c4ccccc4CC3(C)C)C2=O)cc1,[*]N1CCN([*])C1=O,0.4809668,False
1184,CC(C)N1CCC(CN2CCN(c3cccc(Cl)c3)C2=O)c2ccccc21,[*]N1CCN([*])C1=O,0.54013336,False
1185,CCCCN(C1COc2c(CC)cccc2C1)n1ccc(C(=O)O)c1,[*]CN([*])C1COc2c([*])cccc2C1,0.3640988,False
1186,CCCN(Cc1ccsc1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7603136,False
1187,CCCc1cccc2c1OCC(N(CO)CCNC(=O)c1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3149791,False
1188,CN(C)Cc1cccc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.4101778,False
1189,CN(C)c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38095653,False
1190,CN1CCCCC(CN2CCN(c3cccnc3)C2=O)C1,[*]N1CCN([*])C1=O,0.3684158,False
1191,COCC1CCCN(CN2CCN(Cc3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.40953,False
1192,COc1c(C(=O)NCCN2CCN([N+]([O-])c3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.43528956,False
1193,COc1c(C(=O)NCCN2CCN(c3cc(C)cc(O)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8735303,False
1194,COc1c(C(=O)NCCN2CCN(c3ccccc3[N+](=O)[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7946847,False
1195,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cncnc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6949973,False
1196,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(OCCF)c4)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4132865,False
1197,COc1ccc(CNN2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.19737756,False
1198,COc1cccc(C(=O)NCC=CCN2CCN(c3cc(Br)ccc3C)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50584996,False
1199,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(C)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33586675,False
1200,COc1cccc2cc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)oc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38381425,False
1201,COc1ccccc1N1CCN(CC=CCNC(=O)c2c(Cl)cccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9101578,False
1202,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccoc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88495344,False
1203,Cc1cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)ccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40761617,False
1204,Cc1ccc(-c2cccc3c2OCC(N(CO)C(C)C)C3)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.32893923,False
1205,Cc1cccc(N2CCN(CCN3CC4CCCC3CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.55349874,False
1206,Cc1sccc1N1CCN(CN(C)CC23CCC(CC2)C3(C)C)C1=O,[*]N1CCN([*])C1=O,0.39224917,False
1207,N#Cc1cccc(N2CCN(CCN3CCOCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.43833682,False
1208,O=C(NCC=CCN1CCN(c2cc(-c3ccccc3)[nH]n2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41249835,False
1209,O=C(NCC=CCN1CCN(c2cccc3c2-c2ccccc2C(O)C3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64876413,False
1210,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)NC(=O)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8724815,False
1211,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1[nH]ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80934083,False
1212,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccc(F)cc2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9115568,False
1213,O=C1N(CC2Cc3ccccc3C2)CCN1c1cccc2sccc12,[*]N1CCN([*])C1=O,0.5390514,False
1214,O=C1N(CCN2CCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6190605,False
1215,O=C1N(CN2CC3CCCc4ccccc4CC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5881266,False
1216,O=C1N(c2ccc(F)cc2)CCN1c1cccc(C2CCCNC2)c1,[*]N1CCN([*])C1=O,0.30836764,False
1217,CC(C)N1CCCN(CCN2CCN(C3CCCCC3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5371659,False
1218,CC(C)OC1CCCCC1N1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.27621233,False
1219,CC(C)Oc1cccc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.23476754,False
1220,CC(CN1CCN(Cc2ccccc2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.4018831,False
1221,CC1Cc2ccccc2N1CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.5091592,False
1222,CCCCc1ccc(CC)c(C(=O)NCC2CCCN2C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.29641938,False
1223,CCCc1cccc2c1OCC(N(CC)CCc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6858737,False
1224,CCCc1cccc2c1OCC(N(CC)Cc1ccc(C#N)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.63412416,False
1225,CCN(Cc1ccc(C)cc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46811646,False
1226,CCON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([N+](=O)[O-])c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.30394623,False
1227,CN(c1ccccc1)c1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8848795,False
1228,CN1Cc2ccccc2CC2CCC(CC2N2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.5841642,False
1229,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc3ccccc23)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4405288,False
1230,COc1c(C(=O)NCCN2CCN(c3cccc(N(C)C)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.800129,False
1231,COc1c(C(=O)NCCN2CCN(c3sccc3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.748178,False
1232,COc1cc(Br)cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92494816,False
1233,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccccc3)ccc2[N+](=O)[O-])CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48411554,False
1234,COc1ccccc1CCN1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.4490612,False
1235,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Br)ccc2CCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8978794,False
1236,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(N(CCF)c3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88482296,False
1237,Cc1cccc(CNC(=O)CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.16069202,False
1238,Cc1csc(CN2CCN(Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.25096947,False
1239,N#Cc1cccc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.5336606,False
1240,N#Cc1ccccc1C1CCCN(CCN2CCN(c3ccc(Cl)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.67249286,False
1241,Nc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8964327,False
1242,O=C(NCC=CCN1CCN(Cc2ccccc2OCCF)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33116698,False
1243,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1)c1cnc2ccccc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6493423,False
1244,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccccn2)cs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91158366,False
1245,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1n[nH]cc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85712296,False
1246,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(-c2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6741881,False
1247,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cscn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9489311,False
1248,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc(F)c1Cl,[*]N1CCN([*])C1=O,0.85598814,False
1249,O=C1N(CCNC2CCc3sccc3C2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.44940406,False
1250,O=C1N(Cc2cccc(Cl)c2)CCN1C1CCC(c2cccnc2)CC1,[*]N1CCN([*])C1=O,0.3957136,False
1251,O=C1N(c2cccc(Cl)c2)CCN1C1CCCC(c2ccccn2)C1,[*]N1CCN([*])C1=O,0.3791244,False
1252,C#CC1CCCC(NCN2CCN(c3cccc(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.2745211,False
1253,C=Cc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7811299,False
1254,CC(C)CN1CCN(Cc2ccccn2)C1=O,[*]N1CCN([*])C1=O,0.23203531,False
1255,CC(C)c1cccc(N2CCN(CNCc3cccc4sccc34)C2=O)c1,[*]N1CCN([*])C1=O,0.30285987,False
1256,CC1Cc2ccccc2C(CN2CCN(Cc3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.55427873,False
1257,CCCN(CC(C)C)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.70078593,False
1258,CCCN(CCC)C1COc2c(cccc2C(O)c2ccc(C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5749957,False
1259,CCN(Cc1cccc(C#N)c1)N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.44028574,False
1260,CCON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37904635,False
1261,CCc1ccc(S(C)(=O)=O)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7692161,False
1262,CN(C)Cc1ccc2cc(N3CCN(c4ccccc4)C3=O)sc2c1,[*]N1CCN([*])C1=O,0.24795914,False
1263,CN(CN1CCN(c2ccccc2Cl)C1=O)CC12CCC(CC1)CC2,[*]N1CCN([*])C1=O,0.36776432,False
1264,COCC1CCN(CN2CCN(Cc3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.5222318,False
1265,COc1ccc2c(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9099684,False
1266,COc1ccc2c(C(=O)NCC=CCN3CCN(c4cccc(OCCF)c4)CC3)c[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36620864,False
1267,COc1ccc2c(c1)OC(C(=O)NCC=CCN1CCN(c3cccc(Cl)c3Cl)CC1)CC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66586083,False
1268,COc1cccc(N2CCN(CCN(C)Cc3ccc4ccccc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.65985614,False
1269,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc([N+](=O)[O-])ccc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49652869,False
1270,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3c(c2)-c2ccccc2CC3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4187598,False
1271,COc1ccccc1C(=O)NCC=CCN1CCN(c2csc3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5164715,False
1272,Cc1ccc(O)nc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36006102,False
1273,N#Cc1cccc(N2CCN(CC3CCc4ccsc4CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.5470277,False
1274,Nc1cc(OCCF)ccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55527383,False
1275,O=C(NCC=CCN1CCN(C2CCc3ccccc3-c3ccccc32)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40423858,False
1276,O=C(NCC=CCN1CCN(c2cc(Cl)ccc2OCCF)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4838066,False
1277,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccc(O)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9478852,False
1278,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cc(O)ccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84365636,False
1279,O=C(NCC=CCN1CCN(c2cccnc2Cl)CC1)c1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6934998,False
1280,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.7691288,False
1281,O=C1N(CNCC23CCC(CC2)Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.53854585,False
1282,O=C1N(c2ccc(Cl)c(F)c2)CCN1C1CCN(Cc2cccnc2)CC1,[*]N1CCN([*])C1=O,0.5111733,False
1283,CC(C)N1CCN(c2ccc(F)c(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.16729997,False
1284,CC(C)c1cccc(N2CCN(CCN(C)CC34CCC(CC3)CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.6545437,False
1285,CC(O)c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3448117,False
1286,CC1(C)CC(N2CCN(c3cccc(Cl)c3)C2=O)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.36520308,False
1287,CCCCN(CC)C1COc2c(cccc2-c2ccc3cc[nH]c3c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51118505,False
1288,CCCCOc1ccc(C)c(OCC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.11897287,False
1289,CCCN(C#N)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.55309474,False
1290,CCCN(CC1CCCC(=O)C1C)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.55076826,False
1291,CCCc1cccc2c1OCC(N(C)Cc1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5904801,False
1292,CCCc1cccc2c1OCC(N(CC(F)(F)F)C1CCCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.52360284,False
1293,CCN1CC(N2CCN(c3cccc(Cl)c3)C2=O)CCC12COc1ccccc1C2,[*]N1CCN([*])C1=O,0.49421674,False
1294,CCc1cccc2c1OCC(N(CC1CCCC1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.45095792,False
1295,CN(C)CCN1CCN(c2cc3ccccc3s2)C1=O,[*]N1CCN([*])C1=O,0.44702077,False
1296,COCC1COCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.77668375,False
1297,COc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.79559326,False
1298,COc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4F)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70109165,False
1299,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)o2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7755329,False
1300,COc1cccc(CNC(=O)CN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.09495658,False
1301,COc1cccc(N2CCN(CCNC(C)c3cccc(C)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.41009986,False
1302,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3ccc2-c2ccccc2-c2ccccc2C3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89608145,False
1303,COc1ccncc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.62226564,False
1304,O=C(CN1CCN(c2ccccc2)C1=O)NCc1ccccc1Cl,[*]N1CCN([*])C1=O,0.064706154,False
1305,O=C(NCC=CCN1CCN(c2[nH]cc3ccccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38221478,False
1306,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2nccs2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92275363,False
1307,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(-c2ncc[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6438248,False
1308,O=C1N(CC(F)(F)F)CCN1c1ccc(Cl)cc1F,[*]N1CCN([*])C1=O,0.25723577,False
1309,O=C1N(CCN2CC3CCCCC2CC3)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.5714666,False
1310,O=C1N(CCN2CCC(C(F)(F)F)CO2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.6508482,False
1311,O=C1N(CCN2CCCC3c4ccccc4CC3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8283876,False
1312,O=C1N(CCN2CCc3ccsc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.68367296,False
1313,O=C1N(CCc2ccccc2F)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.8056997,False
1314,O=C1N(Cc2cccc(CN3CCCCC3)c2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.39297587,False
1315,O=C1N(Cc2cccs2)CCN1CC1CCCCC1,[*]N1CCN([*])C1=O,0.40827066,False
1316,C=CN(CCCC)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43522552,False
1317,CC(C)N1CCN(CCN2CCN(Cc3ccccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.62836653,False
1318,CCCN(CCC)C1COc2c(cccc2-c2csc3ccccc23)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7473866,False
1319,CCCc1cccc2c1OCC(N(CCC)CC(=O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.463869,False
1320,CCCc1cccc2c1OCC(N(CCC)c1cc[nH]c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.65505606,False
1321,CCCc1cccc2c1OCC(N(CO)c1ccco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.42277732,False
1322,CCCc1cccc2c1OCC(N(O)CC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5702153,False
1323,CCN1CCCC1CNC(=O)c1c(C)ccc(SN)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6459721,False
1324,CCN1CCCC1CNC(=O)c1c(Cl)ccc(S)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.81476545,False
1325,CCON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(C)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3456328,False
1326,CCc1ccc(C)c(OC)c1C(=O)NCC1CCCN1F,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19509168,False
1327,CCc1ccc(OC)c(C(=O)NCC2CCCN2CCCCCl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.48161387,False
1328,COc1ccc(C)c(C(=O)NCC2CCCN2C)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20754305,False
1329,COc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4ccc(Cl)cc4)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4389429,False
1330,COc1ccc2c(c1)CC(C(=O)NCC=CCN1CCN(c3cccc(Cl)c3OC)CC1)CC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.57894784,False
1331,COc1cccc(CNC(C)N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.31466764,False
1332,COc1cccc(Cl)c1C(=O)NCC=CCN1CCN(c2cccc(O)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42309418,False
1333,COc1cccc2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c-2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8965853,False
1334,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(Cl)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5034836,False
1335,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Br)c(OC)c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5522983,False
1336,COc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.91318625,False
1337,Cc1cc(C2CCCN(CCN3CCN(c4ccc(Cl)cc4)C3=O)C2)cc(C)n1,[*]N1CCN([*])C1=O,0.63252664,False
1338,N#CC1CCCCCN1Cc1cccc(N2CCN(c3cccc(Cl)c3F)C2=O)c1,[*]N1CCN([*])C1=O,0.31170267,False
1339,N#Cc1occc1CN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.30824944,False
1340,O=C(NCC=CCN1CCN(c2cc(Cl)cc(Cl)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47431904,False
1341,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1cccc(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5247336,False
1342,O=C(NCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cc(Br)c2ccccc2c1O,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7390925,False
1343,O=C1N(CC2CCCCO2)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.3338557,False
1344,O=C1N(CCN2CC3CCC2CCc2ccccc2C3)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.55937624,False
1345,O=C1N(CCN2CCCCC(c3ccccc3)C2)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.5376074,False
1346,O=C1N(CCN2CCCCCC2)CCN1c1cccc2sccc12,[*]N1CCN([*])C1=O,0.6871641,False
1347,O=C1N(CCN2Cc3ccccc3O2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.607069,False
1348,O=C1N(CCNCc2cccs2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.43983707,False
1349,O=C1N(CCc2nsc3ccccc23)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.41131094,False
1350,O=C1N(COCC#Cc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.45476797,False
1351,O=C1N(COc2cccc(Cl)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.4396271,False
1352,CC1(C)CCN(CCN2CCN(c3cccc(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.84946567,False
1353,CC1C2CCC(CN2Cc2ccccc2)C1(C)CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.41369793,False
1354,CC1CCCN(CCN2CCN(c3ccc(F)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.839506,False
1355,CC1CN(CCN2CCN(c3cccc(Cl)c3)C2=O)C2CCC(C)(C1)C2,[*]N1CCN([*])C1=O,0.74003255,False
1356,CCCCN(C1CCCC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46755478,False
1357,CCCN(CCC)C1COc2c(cccc2-c2cc(C(C)=O)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.60468805,False
1358,CCCN(CCC)C1COc2c(cccc2-c2cccc3ccccc23)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6918868,False
1359,CCCN(CO)C1COc2c(CCC3(C(C)=O)CCCC3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4401285,False
1360,CCCc1cccc2c1OCC(N(CCC)Cn1cc(C)cc1O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.45598996,False
1361,CCN1CCCC1CNC(=O)c1c(C)ccc(OC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7480125,False
1362,CCc1ccc(C)c(C(=O)NCC2CCCN2OC)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17642649,False
1363,COCc1cccc(CN2CCN(Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.273681,False
1364,CONc1c(C(=O)NCCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.68962646,False
1365,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6118774,False
1366,COc1cccc(CC2CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.72437584,False
1367,COc1cccc(N2CCN(CCN3CC4CCCC3CC4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.5665105,False
1368,COc1cccc2c1CC=CC=C(N1CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC1)C(=O)C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40816715,False
1369,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3c(c2)CCc2ccc(O)cc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42261013,False
1370,Cc1cccc2c(Cl)c(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8274562,False
1371,N#Cc1cccc(C(N)CN2CCN(C3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.36914352,False
1372,N#Cc1cccc(N2CCN(CCN3CCCc4sccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.76865023,False
1373,O=C(NCC=CCN1CCN(NCCc2ccc(-c3ccccc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.27934244,False
1374,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1cc2ccccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49690202,False
1375,O=C(NCC=CCN1CCN(c2cccc(-c3ccc[nH]3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4389555,False
1376,O=C1N(CC2CCCCCN2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.50747406,False
1377,O=C1N(CC2NCCc3cc(Cl)ccc32)CCN1c1ccc2c(c1)CCN2,[*]N1CCN([*])C1=O,0.5668632,False
1378,O=C1N(CCN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.616476,False
1379,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(C(F)(F)F)cc1Cl,[*]N1CCN([*])C1=O,0.8520933,False
1380,O=C1N(CCNCc2ccc3ccsc3c2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.2351438,False
1381,CC(C)(C)N1CCc2cc(N3CCN(c4ccccc4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.28536275,False
1382,CC(C)N1CCN(CCN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.795887,False
1383,CC(C)N1CCc2c(CN3CCN(c4cccc(Cl)c4)C3=O)cccc21,[*]N1CCN([*])C1=O,0.44524148,False
1384,CC(C)c1ccc(N2CCN(C)C2=O)cc1,[*]N1CCN([*])C1=O,0.24224031,False
1385,CC(c1cccc(Cl)c1)N1CCN(CCN2CCCCCC2)C1=O,[*]N1CCN([*])C1=O,0.6382839,False
1386,CCCN(CC(=O)NCC)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.418937,False
1387,CCCc1ccc(OC)c(OSC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.28096655,False
1388,CCOc1c(F)ccc(SC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22499155,False
1389,CCc1ccc(C)c(C(=O)NCC2CCCN2N)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15196346,False
1390,CN(CCN1CCN(c2cccnc2)C1=O)CC12CCC(CC1)CC2,[*]N1CCN([*])C1=O,0.63115734,False
1391,CN1CCCCC2C1CCN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.64099216,False
1392,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)CCc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.61650175,False
1393,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92362136,False
1394,COc1ccc(Oc2cccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9354471,False
1395,COc1ccc2c(Br)cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93824625,False
1396,COc1cccc(C(=O)NCC=CCN2CCN(c3c(Cl)cccc3Cl)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37643564,False
1397,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccccc3)cc(OC)c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5708851,False
1398,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OC(C)(C)C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42876416,False
1399,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Oc3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3673438,False
1400,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(CN(C)C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96304804,False
1401,Cc1c(OCCF)cccc1C(=O)NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3988445,False
1402,Cc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)s2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31585538,False
1403,Cc1ccc(CCN2CCN(c3cccc(Cl)c3)C2=O)s1,[*]N1CCN([*])C1=O,0.5805772,False
1404,N#CCNCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4711026,False
1405,N#Cc1c(Cl)cccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8335055,False
1406,O=C(CN1CCN(Cc2ccccc2)C1=O)NCc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.09562139,False
1407,O=C(NCC=CCN1CCN(c2cc(O)nc(-c3ccccc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4237544,False
1408,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(O)n3)cc2)CC1)c1ccc(Cl)c(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43373823,False
1409,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.988898,True
1410,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1cccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64996535,False
1411,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9381434,False
1412,O=C1N(CNCc2ccsc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.40388116,False
1413,O=Cc1c(C(=O)NCCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.69519967,False
1414,CC(C)(C)CNCc1cccc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3415032,False
1415,CC(C)CN(CO)C1COc2c(CCCN3C(=O)CC4(CCCC4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42578956,False
1416,CC1(C)CCNC(CN2CCN(c3cc(F)cc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.37472782,False
1417,CCCCCN(C(=O)c1ccco1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.34295473,False
1418,CCCCN(CC)C1COc2c(cccc2C(O)c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5270674,False
1419,CCCCN(O)C1COc2c(Cc3ccsc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53102416,False
1420,CCCN(CCC)C1COc2c(cccc2-n2cc(C(F)(F)F)cc(C(F)(F)F)c2=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.58875096,False
1421,CCN1CCCC1CNC(=O)c1c(OC)ccc(CCCSC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.85134745,False
1422,CCN1CCCC1CNC(=O)c1c(OC)ccc(S(C)(=O)=O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8085027,False
1423,CCOc1c(O)ccc(F)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23284031,False
1424,CN(CCN1CCN(c2cccc(Cl)c2F)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.6588269,False
1425,CN(Cc1cccs1)CN1CCN(Cc2ccco2)C1=O,[*]N1CCN([*])C1=O,0.26112974,False
1426,COCC1C2CCCC1CC(N1CCN(c3ccccc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.26850438,False
1427,COc1c(N2CCN(CC=CCNC(=O)c3c(Cl)cccc3Cl)CC2)ccc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5974843,False
1428,COc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8567628,False
1429,COc1cc(C(F)(F)F)ccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6318055,False
1430,COc1cc2ccccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c-2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.847976,False
1431,COc1ccc(-c2ccc(C(=O)NC(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8708348,False
1432,COc1ccc2[nH]cc(N3CCN(CC=CCNC(=O)c4cccc(OCCF)c4)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5173568,False
1433,COc1cccc(-c2cc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)c[nH]2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75017226,False
1434,COc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85472494,False
1435,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccncc2-c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8975375,False
1436,O=C(CCF)NCC=CCN1CCN(c2ccccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34515646,False
1437,O=C(NCC=CCN1CCN(c2cc3cc(OCCF)ccc3o2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4861952,False
1438,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(O)nc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96007615,False
1439,O=C1N(CC2Cc3ccccc3C2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.6009705,False
1440,O=C1N(CCN2CCCC(C(F)(F)F)CC2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.79686815,False
1441,O=C1N(CCN2CCCC3CCC2CC3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.57973164,False
1442,O=C1N(CCN2CCc3ccccc3C2)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.762079,False
1443,O=C1N(Cc2ccccc2Cl)CCN1C1CCOCC1,[*]N1CCN([*])C1=O,0.33822888,False
1444,O=C1N(c2ccc3c(c2)C(O)CCCC3)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.35669988,False
1445,CC(=O)N1CCN(CCN2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.442305,False
1446,CC(C)Nc1cccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6693718,False
1447,CC1(CN2CCN(c3ccccc3)C2=O)CCc2ccc(Cl)cc2C1,[*]N1CCN([*])C1=O,0.41120037,False
1448,CC12Cc3ccccc3CC(CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.676096,False
1449,CCCCCC1C2CCC2CN1CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5012082,False
1450,CCCCN(C1CCCC(=O)C1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3775889,False
1451,CCCCN(CC)C1COc2c(cccc2C(=O)NCc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.35945576,False
1452,CCCN(CCCCN1C(=O)CCC2(CCCC2)CC1=O)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.67056173,False
1453,CCCN(COC)C1COc2c(CC3CC4(CCCC4)CC(=O)C3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.415936,False
1454,CCCc1cccc2c1OCC(N(CC)CC1CCCC(=O)C1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.37960917,False
1455,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2cc([N+](=O)[O-])ccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48671928,False
1456,CN(CCN1CCN(c2ccc(Cl)cc2)C1=O)Cc1ccccn1,[*]N1CCN([*])C1=O,0.47718823,False
1457,COc1c(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)cccc1[N+](=O)[O-],[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.36336997,False
1458,COc1ccc(N2CCN(CC=CCNC(=O)c3cc[nH]c3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37693468,False
1459,COc1cccc(CCN2CCN(c3cccc(OC)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.5679218,False
1460,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2C2CCc3ccc(O)cc3C2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73920524,False
1461,COc1ccccc1N1CCN(CC=CCNC(=O)c2cnc(-c3ccccc3)s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91037464,False
1462,Cc1cccc(C2CCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.8097051,False
1463,Cc1cccc(CN2CCN(c3ccccn3)C2=O)c1,[*]N1CCN([*])C1=O,0.22246948,False
1464,N#CC1CCCCc2cc(N3CCN(c4ccccc4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.3658966,False
1465,N#Cc1ccc2c(c1)CCNC2CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.61571604,False
1466,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1cccs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54131395,False
1467,O=C(NCC=CCN1CCN(c2ccc(O)cc2)CC1)c1ccc(Cl)c(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46608743,False
1468,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89779735,False
1469,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ncc[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8637698,False
1470,O=C(NCC=CCN1CCN(c2cccc(F)c2)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47165483,False
1471,O=C(NCC=CCN1CCN(c2ccccc2CF)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79637986,False
1472,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(O)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8615478,False
1473,O=C(NN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1)c1ccncc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.24440862,False
1474,O=C1N(CCN2CC3CCC2Cc2ccccc2C3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.64315355,False
1475,O=C1N(CCN2CCCCNC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.86241084,False
1476,O=C1N(CCN2CCCNC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.87722075,False
1477,O=C1N(c2cccc(CNC3CCCCC3)c2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.2898064,False
1478,O=C1N(c2cccc(F)c2)CCN1C1CCCCNC1,[*]N1CCN([*])C1=O,0.24300344,False
1479,CC1CCC(N2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.32588387,False
1480,CC1CCCCN(CCN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.73422533,False
1481,CC1CCc2c(CN3CCN(c4cccc(Cl)c4)C3=O)cccc2N(C)C1,[*]N1CCN([*])C1=O,0.61106837,False
1482,CCCN(CC(=O)c1ccsc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.36638814,False
1483,CCCN(CO)C1COc2c(CCNC(=O)c3cc4ccccc4[nH]3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4321082,False
1484,CCN(CC)CCN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.70528525,False
1485,CCN1CCCC1CNC(=O)c1c(CO)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.93971246,False
1486,CCOc1c(Br)ccc(S(C)(=O)=O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22272116,False
1487,CN(C)c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3COCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3742143,False
1488,COc1c(C(=O)NCCN2CCN(C3=CC=C[N+](F)C(=O)C=C3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.6815577,False
1489,COc1ccc(-c2coc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84572417,False
1490,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4539373,False
1491,COc1ccc2oc(C(=O)NCC=CCN3CCN(c4ccc(Cl)cc4OC)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.508662,False
1492,COc1cccc(N2CCN(C3CCCCN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.38043553,False
1493,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cccc(Cl)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45811608,False
1494,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(CNc3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34552142,False
1495,COc1ccccc1N1CCN(CC=CCNC(=O)[N+](=O)[O-])CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7683526,False
1496,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2SC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9372879,False
1497,Cc1cc(CN2CCN(C3COOC3)C2=O)on1,[*]N1CCN([*])C1=O,0.24906154,False
1498,O=C(CN1CCN(Cc2cc3ccccc3s2)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.18001534,False
1499,O=C(NCC=CCN1CCN([N+](=O)c2cccnc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2979471,False
1500,O=C(NCC=CCN1CCN(c2ccc3ccccc3c2)CC1)c1ccccc1C(F)(F)F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5230876,False
1501,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(Br)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94923437,False
1502,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(Cl)cc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8432047,False
1503,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Br)c(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8866663,False
1504,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(F)c(Oc2ccc(F)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9034256,False
1505,O=C(NCC=CCN1CCN(c2cnc3ccccc3n2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49778306,False
1506,O=C1N(CC2CCCCN2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5710695,False
1507,O=C1N(CCN2CC3CCc4ccccc4CC2CC3)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.63142014,False
1508,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc([N+](=O)[O-])c1,[*]N1CCN([*])C1=O,0.6292995,False
1509,O=C1N(Cc2cccc(Cl)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4611704,False
1510,O=C1N(c2cccc(Cl)c2)CCN1c1ccc2c(c1)N(Cc1ccccc1)CCC2,[*]N1CCN([*])C1=O,0.4564299,False
1511,O=C1N(c2ccccc2)CCN1c1ccccc1OCC1CCCNC1,[*]N1CCN([*])C1=O,0.27300394,False
1512,CC(c1ccccc1)N1CCN(CCN2CCN(c3cccc(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7729873,False
1513,CC1CC2CCC(C1)CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.8461833,False
1514,CC1CCC2(CCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC2)C1C,[*]N1CCN([*])C1=O,0.8274945,False
1515,CC1CN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC23CC2C(C3)C1(C)C,[*]N1CCN([*])C1=O,0.7961742,False
1516,CCCCN(CCCN1C(=O)CC2(CCCCC2)CC1=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56636715,False
1517,CCc1cccc2c1OCC(N(CC(C)C)c1ccc(Cl)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.46620536,False
1518,CN1C2CCCC1CC(CN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.7045151,False
1519,COCC1CCN(CN2CCN(Cc3ccc(Cl)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.56558233,False
1520,COCCN1CCN(CC(F)(F)F)C1=O,[*]N1CCN([*])C1=O,0.32912385,False
1521,COCc1ccc(OC)c(CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.40497687,False
1522,COc1ccc(-c2cc(O)[nH]c2N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32852042,False
1523,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)o2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33384958,False
1524,COc1ccc(N2CCN(CC=CCNC(=O)c3ccc(Cl)cc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47320792,False
1525,COc1cccc(CN2CCCCC2N2CCN(c3cccc(F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.30197766,False
1526,COc1cccc(N2CCN(CNCc3cc4ccccc4s3)C2=O)c1,[*]N1CCN([*])C1=O,0.31060475,False
1527,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(OCCF)c(-c3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82902837,False
1528,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccnc(C)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8753277,False
1529,Cc1ccc(C)c(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4750146,False
1530,Cc1ccc(C)n1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4228539,False
1531,Cc1ccc(N2CCN(CC3CCCCN3)C2=O)cc1C,[*]N1CCN([*])C1=O,0.49429193,False
1532,N[N+](=O)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7746288,False
1533,O=C(NCC=CCN1CCN(Cc2ccccc2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36111808,False
1534,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5063342,False
1535,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1c[nH]c(-c2ccc(O)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50178736,False
1536,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(F)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94901603,False
1537,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(OCCF)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9227131,False
1538,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1CCc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9081557,False
1539,O=C(NCCN1CCN([N+](=O)[O-])CC1)c1cc(Br)c2ccccc2c1-c1ccccc1Cl,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37675104,False
1540,O=C1N(CC2CCN(Cc3cccc(Cl)c3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7428914,False
1541,O=C1N(CC2Cc3sccc3CN2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.47072563,False
1542,O=C1N(CCN2CCCCCC2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.90251446,False
1543,O=C1N(CCOc2ccc3ccsc3c2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.3328898,False
1544,O=C1N(COCCc2ccccc2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.34266347,False
1545,O=C1N(Cc2csc3ccccc23)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.3516299,False
1546,CC(C)(C)Nc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7160176,False
1547,CC(C)N(CC1CCC1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48234865,False
1548,CC1Cc2ccccc2C(CN2CCN(c3cccc(N)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.5974695,False
1549,CCCCN(c1ccncc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47087768,False
1550,CCCN(CC1CCC2(CC1)CC(=O)CC(=O)C2)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.517925,False
1551,CCOC(C1CCCNC1)N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.40656903,False
1552,CCc1ccc(C)c(C(=O)NCC2CCCN2SC)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21664147,False
1553,CN1CCC(CN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.53105736,False
1554,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2ccc3c(c2)-c2ccccc2C3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4393631,False
1555,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)ccc1CO,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32068673,False
1556,COc1ccc2scc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8721037,False
1557,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(F)cc3)cn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92387843,False
1558,COc1ccccc1N1CCN(CC=CCNC(=O)c2occc2-c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8199486,False
1559,Cc1ccc(C)c(CN2CCN(c3cc4ccccc4s3)C2=O)c1,[*]N1CCN([*])C1=O,0.23550971,False
1560,Cc1ccc(OCCF)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90036774,False
1561,Cc1cccc(N2CCN(CCN(C)Cc3nc4ccccc4s3)C2=O)c1,[*]N1CCN([*])C1=O,0.55832607,False
1562,N[N+](=O)N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2Cl)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.44867343,False
1563,N[N+](=O)c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40162203,False
1564,O=C(CNC(=O)c1ccccc1F)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7769236,False
1565,O=C(NCC=CCN1CCN(c2cc3ccc(O)cc3cc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5872621,False
1566,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccccc1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5054717,False
1567,O=C(NCC=CCN1CCN(c2ccc3scnc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4640657,False
1568,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccc(OCCF)cc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9485136,False
1569,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(O)c1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8126104,False
1570,O=C(NCC=CCN1CCN(c2ccccc2Oc2cccc(Cl)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81111944,False
1571,O=C(NCC=CCN1CCN(c2ccnc(-c3ccccc3O)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50026697,False
1572,O=C1N(CC(=O)N2c3ccccc3CC23CCCC3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.33714497,False
1573,O=C1N(CC2CCCc3ccccc32)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.6091967,False
1574,O=C1N(CCN2CC3Cc4ccccc4CCCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6808065,False
1575,O=C1N(CCN2CCCc3cscc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.84419614,False
1576,O=C1N(CN2CCCCC2c2cccc(Cl)c2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.43111753,False
1577,O=C1N(Cc2cccc(Cl)c2)CCN1C1Cc2ccccc2CC2CCC1CC2,[*]N1CCN([*])C1=O,0.4850782,False
1578,O=C1N(c2cccs2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.16209017,False
1579,C#CN(CCC)C1CCc2c(cccc2N2CCN(c3ccc4sccc4c3)C2=O)C1,[*]N1CCN([*])C1=O,0.48080632,False
1580,CC#Cc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.93854886,False
1581,CC(N)C1NCCC1CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.34374177,False
1582,CC1CC(C)(CCN2CCN(c3cccc(Cl)c3)C2=O)C(C)N2CCC1C2,[*]N1CCN([*])C1=O,0.5232288,False
1583,CCCCN(CC)C1COc2c(cccc2C2CCCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5845836,False
1584,CCCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6820144,False
1585,CCN(O)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.498361,False
1586,CCN1CCCC1CNC(=O)c1c(OC)ccc(CCCCF)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8775129,False
1587,CCOc1c(C)ccc(F)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19672598,False
1588,COc1c(C(=O)NCCN2CCN(c3ccc([N+](=O)[O-])cc3F)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7547901,False
1589,COc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93464845,False
1590,COc1ccc2sc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7733952,False
1591,COc1cccc(Cl)c1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.6635567,False
1592,COc1cccc(N2CCN(CCN(C)Cc3cc4ccccc4s3)C2=O)c1,[*]N1CCN([*])C1=O,0.6938742,False
1593,COc1cccc2cc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)sc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36199868,False
1594,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccn3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8991004,False
1595,COc1ccccc1N1CCN(CC=CCNC(=O)c2sc3ccccc3c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8843989,False
1596,Cc1ccc(N2CCN(CC=CCNC(=O)c3ccc(Cl)cc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3158038,False
1597,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36098143,False
1598,N#Cc1cc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)ccc1Cl,[*]N1CCN([*])C1=O,0.85446995,False
1599,NCc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5120765,False
1600,O=C(NCC=CCN1CCN(CCOCc2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4077357,False
1601,O=C(NCC=CCN1CCN(c2c(OCCF)ccc3ccc(O)nc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4093262,False
1602,O=C(NCC=CCN1CCN(c2cc(O)ccc2OCCF)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.661685,False
1603,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccc(OCCF)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92622435,False
1604,O=C1N(CCN2CCCc3ncccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7622978,False
1605,O=C1N(CCN2COc3ccccc3C2)CCN1c1ccc(C(F)(F)F)cc1,[*]N1CCN([*])C1=O,0.6962533,False
1606,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(Cl)c(F)cc1F,[*]N1CCN([*])C1=O,0.8392585,False
1607,O=C1N(CCNCc2cccs2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.30538228,False
1608,O=C1N(CN2CCN(c3ccccc3OC(F)(F)F)C2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.54007554,False
1609,O=C1N(Cc2cccc(Cl)c2)CCN1CC1CCCCNC1,[*]N1CCN([*])C1=O,0.33458126,False
1610,O=C1N(c2ccc(Cl)cc2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.2620224,False
1611,O=C1N(c2ccc(Cl)cc2)CCN1C1CCc2ccsc2CC1,[*]N1CCN([*])C1=O,0.3940611,False
1612,CC1CCCCN1CCN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5908617,False
1613,CCCCN(CCC)C1COc2c(cccc2-c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7319464,False
1614,CCCCN(c1ccc(C(F)(F)F)cn1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45208922,False
1615,CCCN(C(=O)c1cc[nH]c1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.24365589,False
1616,CCCN(CCC)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.82684714,False
1617,CCCc1cccc2c1OCC(N(CO)c1ccc(C)s1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.42063507,False
1618,CCOc1c(C)ccc(CS)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14523883,False
1619,CCOc1c(C)ccc(S(=O)(=O)O)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.61090046,False
1620,CCOc1c(CCCF)ccc(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27695283,False
1621,CCc1ccc(C)c(C(=O)NCC2CCCN2C)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18478498,False
1622,CCc1ccc(CC)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9194858,False
1623,CN(CCN1CCN(c2ccc(Cl)cc2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.7412202,False
1624,COCC1CCCN1CN1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.5271374,False
1625,COc1c(C(=O)NCCN2CCN(c3c(O)cccc3Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8295515,False
1626,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6552067,False
1627,COc1cccc(CN2CCC(CN3CCN(c4cccc(C(F)(F)F)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.7085165,False
1628,COc1ccccc1N1CCN(CC=CCNC(=O)C=Cc2ccncc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75233704,False
1629,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(Br)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94983655,False
1630,Cc1ccc(CN(C)CCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)s1,[*]N1CCN([*])C1=O,0.51068425,False
1631,Cc1ccc(Cl)cc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73366654,False
1632,Cc1cccc2sc(CCN3CCN(c4cccc(Cl)c4)C3=O)cc12,[*]N1CCN([*])C1=O,0.5517466,False
1633,N#Cc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92335856,False
1634,Nc1ccccc1C(=O)NCC=CCN1CCN(c2ncccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40012902,False
1635,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(O)cc3)nc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4964849,False
1636,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2O)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5384417,False
1637,O=C(NCC=CCN1CCN(c2cccc3ncc(O)nc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6746873,False
1638,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1[nH]cc2ccc(O)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87750953,False
1639,O=C(NCCN1CCN(Br)CC1)c1cc(Br)c2ccccc2c1-c1ccccc1Cl,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4565498,False
1640,O=C1N(CC2CCCCN2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.4247519,False
1641,O=C1N(CCN2CCC3(CC2)Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8884214,False
1642,O=C1N(CCN2CCCC3CCCCC32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5293371,False
1643,O=C1N(CCN2CCN(Cc3csc4ccccc34)CC2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.7016077,False
1644,O=C1N(CCN2CCc3ccc(cc3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7909266,False
1645,O=C1N(COCC2CCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5291941,False
1646,CC(=O)c1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90986335,False
1647,CC(C)Oc1cccc(N2CCN(CC3CCCN4CCCC34)C2=O)c1,[*]N1CCN([*])C1=O,0.32734612,False
1648,CC(CN1CCN(Cc2ccccc2)C1=O)N1CCc2ccccc21,[*]N1CCN([*])C1=O,0.33277172,False
1649,CC1(C)C2CCCC1(CN1CCN(c3cccc(C#N)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.4827947,False
1650,CCCCN(CC)C1COc2c(cccc2C(F)(F)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49709767,False
1651,CCN(CC)C1COc2c(CC(C)C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5854115,False
1652,CN(CN1CCN(c2cc(Cl)ccc2F)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.47923175,False
1653,COC1c2ccccc2CC2CCC1CN(CCN1CCN(c3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.65255845,False
1654,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2c(N)cccc2Cl)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.40850878,False
1655,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2Cc2ccccc2[N+](=O)[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33607396,False
1656,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9365908,False
1657,COc1ccc2[nH]cc(C(=O)N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.15930599,False
1658,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4F)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45069033,False
1659,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(O)c(F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38732234,False
1660,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cc(F)ccc3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87532246,False
1661,Cc1cc(CN2CCN(c3ccccc3Cl)C2=O)on1,[*]N1CCN([*])C1=O,0.15835913,False
1662,Nc1ccc(C(=O)NCC=CCN2CCN(c3c(O)cccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38808134,False
1663,O=C(NCC=CCN1CCN(Oc2ccc(F)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31306344,False
1664,O=C(NCC=CCN1CCN(c2[nH]c(O)cc2-c2ccccc2Cl)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33691487,False
1665,O=C(NCC=CCN1CCN(c2c(OCCF)ccc3ccccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43851313,False
1666,O=C(NCC=CCN1CCN(c2cc(F)ccc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69495887,False
1667,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3OCF)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47362456,False
1668,O=C(NCC=CCN1CCN(c2ccc3cc(O)[nH]c3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3922351,False
1669,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C(=O)NCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8058481,False
1670,O=C1N(CC(F)(F)F)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.33806333,False
1671,O=C1N(CC2CCC3c4ccccc4CC3NC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.57664543,False
1672,O=C1N(CC2CNc3ccccc3C2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.55283666,False
1673,O=C1N(CCN2C3CCC2Cc2ccccc2OC3)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.59018165,False
1674,O=C1N(CCN2CCN3Cc4ccccc4CC3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.648246,False
1675,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(F)c([N+](=O)[O-])c1,[*]N1CCN([*])C1=O,0.65517753,False
1676,O=C1N(CCNCc2ccsc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4240724,False
1677,O=C1N(Cc2ccccc2Cl)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.329964,False
1678,O=C1N(c2ccc(Cl)c(Cl)c2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.29846194,False
1679,C#Cc1ccc2c(c1)N(C(=O)CN1CCN(c3ccc(Cl)c(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.3002478,False
1680,CC(=O)NC1CCCCc2ccc(N3CCN(c4cccc(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.23615193,False
1681,CC(C)N1CCN(CCN2CCN(Cc3cc4ccccc4s3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5756779,False
1682,CCCCOc1c(SC)ccc(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.81675804,False
1683,CCCN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.44102398,False
1684,CCCc1cccc2c1OCC(N(CCCN1C(=O)CC(C)(C)CC1=O)COC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5514433,False
1685,CCCc1cccc2c1OCC(N(CCN1C(=O)CC(C)(C)CC1=O)CC(=O)OC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.36081743,False
1686,CCCc1cccc2c1OCC(N(CF)CCCN1C(=O)CC(C)(C)CC1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6005415,False
1687,CCN1CCCC1CNC(=O)c1c(C)ccc(SO)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.69753885,False
1688,CCOc1c(C)ccc(CS)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15693823,False
1689,CCOc1c(OC)ccc(CCCSS)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25459927,False
1690,CN(CCN1CCN(Cc2cccc(Cl)c2)C1=O)Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.516555,False
1691,CN(CCN1CCN(c2cccc3sccc23)C1=O)Cc1cccs1,[*]N1CCN([*])C1=O,0.5084702,False
1692,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc3[nH]ccc3c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39996746,False
1693,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2S(C)(=O)=O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37287587,False
1694,COc1c(C(=O)NCCN2CCN(Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4771719,False
1695,COc1cc(F)cc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9245856,False
1696,COc1ccc(-c2cccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91224295,False
1697,COc1ccc(C=O)cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51253283,False
1698,COc1ccc(N2CCN(CC=CCNC(=O)c3c(Cl)cccc3Cl)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43417025,False
1699,COc1ccc(OC)c(C(=O)NCC=CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37676707,False
1700,COc1cccc(-c2cc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)ccn2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8476365,False
1701,COc1cccc(N2CCN(CCN3CCC(C(F)c4ccccc4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8166711,False
1702,Cc1cccc(N2CCN(CCN3CCc4ccsc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.71119624,False
1703,Cc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5560649,False
1704,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(O)c3)s2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43565282,False
1705,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(ONCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9205393,False
1706,O=C(NCC=CCN1CCN(c2ccnc3ccccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6891076,False
1707,O=C(NCCN1CCN(c2ccccc2)CC1)c1cc(Br)c2ccccc2c1CO,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.80230415,False
1708,O=C1N(CC2CN(Cc3ccccc3)Cc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6896766,False
1709,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.62748146,False
1710,O=C1N(COCc2cccc(Cl)c2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.3337641,False
1711,O=C1c2ccccc2CCN1CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.6057177,False
1712,CC1Cc2ccccc2N(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.65392405,False
1713,CCCCN(CC)C1COc2c(cccc2-c2cocn2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45947388,False
1714,CCCN(Cc1ccncc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6206793,False
1715,CCCN(c1ccccc1)C1COc2c(CCOC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.63842833,False
1716,CCN1CCOCC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.52182966,False
1717,CCNC(=O)N1CCCC1CNC(=O)c1c(Br)ccc(C)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.12809318,False
1718,CCOc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)ccc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35984272,False
1719,COC(C)C1CCN(CCN2CCN(c3ccc(F)c(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.757957,False
1720,COCCC1CC2CC(C1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.83513993,False
1721,COc1cc(C)cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90053123,False
1722,COc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9392226,False
1723,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4487726,False
1724,COc1cccc(C(=O)NCC=CCN2CCN(c3c[nH]c4ccc(OC)cc34)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5387085,False
1725,COc1ccccc1-c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37595102,False
1726,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Cl)cc2N)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5671644,False
1727,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2-c2ccc[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6194947,False
1728,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Br)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91179246,True
1729,Cc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36177137,False
1730,O=C(NCC=CCN1CCN(C=Cc2ccc(Cl)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3295138,False
1731,O=C(NCC=CCN1CCN(COc2ccc3ccccc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.29990384,False
1732,O=C(NCC=CCN1CCN(c2c(Cl)ccc(Cl)c2Cl)CC1)c1cccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3868741,False
1733,O=C(NCC=CCN1CCN(c2c(OCCF)ccc3cc(O)ccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40454018,False
1734,O=C(NCC=CCN1CCN(c2cc(-c3ccc(F)cc3)ccn2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4366068,False
1735,O=C(NCC=CCN1CCN(c2cc(-c3ccccc3)ccc2OCCF)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5874004,False
1736,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(O)[nH]3)cc2)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54818517,False
1737,O=C(NCC=CCN1CCN(c2ccc(-c3cscn3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47301108,False
1738,O=C(NCC=CCN1CCN(c2ccc(NCCF)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45638227,False
1739,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccccc2)[nH]c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94896215,False
1740,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1OCO2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7546228,False
1741,O=C1N(CC2COCN2)CCN1c1ccc(F)cc1Cl,[*]N1CCN([*])C1=O,0.2466119,False
1742,O=C1N(CCN2CC3CCc4ccccc4CC2CC3)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.6197718,False
1743,O=C1N(CCN2CCCCCCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.88869786,False
1744,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.6987099,False
1745,O=C1N(Cc2ccc(Cl)cc2)CCN1c1ccc2c(c1)Cc1ccccc1CC2,[*]N1CCN([*])C1=O,0.48264784,False
1746,O=C1N(Cc2ccc(F)cc2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.34181765,False
1747,O=C1N(c2cccc(Cl)c2)CCN1C1CNCc2ccsc2C1,[*]N1CCN([*])C1=O,0.4696522,False
1748,CC(C)N1CCN(CCN2CCCCCC2)C1=O,[*]N1CCN([*])C1=O,0.55266,False
1749,CC(C)c1ccc(N2CCN(CCN3CCN(C)CC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.66009176,False
1750,CCCCN(CC)C1COc2c(cccc2C(=O)c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4020385,False
1751,CCCCN(O)C1COc2c(CCCN3C(=O)CC(C)(C)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4938616,False
1752,CCCCN(c1ccc(OCC)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42198148,False
1753,CCN1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.31402034,False
1754,CCOc1c(C)ccc([SH](C)(=O)[O-])c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16347711,False
1755,CCc1ccc(OC)c(OS(C)(=O)=O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22433588,False
1756,CCc1cccc2c1OCC(N(CC)CO)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4582663,False
1757,COCC1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.8605276,False
1758,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccc(N)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68090475,False
1759,COc1ccccc1-c1cc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69172233,False
1760,COc1ccccc1N1CCN(CC=CCNC(=O)c2ncccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9357845,False
1761,C[N+]c1ccccc1-c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.46228766,False
1762,Cc1ccc(N2CCN(C3CCCCCN3C)C2=O)cc1,[*]N1CCN([*])C1=O,0.23298652,False
1763,Cc1ccc(N2CCN(CC3CCCNC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.28379637,False
1764,Cc1ccc(N2CCN(CCN3CCCc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.73280835,False
1765,Cc1cscc1N1CCN(CN(C)Cc2cc3ccccc3o2)C1=O,[*]N1CCN([*])C1=O,0.2271354,False
1766,O=C(Cc1ccccc1Cl)NC(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.753567,False
1767,O=C(NCC=CCN1CCN(c2c(OCCF)ccc3c[nH]c(O)c23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36697528,False
1768,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(O)[nH]3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43694153,False
1769,O=C(NCC=CCN1CCN(c2cccc3c2Cc2ccccc2CC3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.679553,False
1770,O=C(NCC=CCN1CCN(c2ccccc2Oc2ccccn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8550983,False
1771,O=C1N(CC2CCC3CC(CN2)C3Cc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4919068,False
1772,O=C1N(CCN2C3CCCCC2CCC3)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.61597717,False
1773,O=C1N(CCN2CCCC3(CCc4ccccc4C3O)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.72966266,False
1774,O=C1N(CCN2CCc3ccccc3C2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.6591332,False
1775,O=C1N(CCN2Cc3ccccc3C2)CCN1c1nccs1,[*]N1CCN([*])C1=O,0.8506233,False
1776,O=C1N(CCOCc2ccccc2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.6208988,False
1777,O=C1N(CCc2cccc(Cl)c2)CCN1C1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.5757921,False
1778,O=C1N(Cc2ccc(Cl)cc2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.35515556,False
1779,O=C1N(Cc2ccc3cccccc2-3)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.3343024,False
1780,O=C1N(c2ccc3c(c2)CCOCC3)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.29386473,False
1781,O=C1N(c2ccccc2Cl)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.2099147,False
1782,CC(C)N1CCN(CCN2CCN(CCc3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6792062,False
1783,CCCN(CCC)C1COc2c(cccc2OCc2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8106046,False
1784,CCCc1cccc2c1OCC(N(CCl)CC1C(=O)CC(C)(C)CC1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.40321207,False
1785,CCOc1c(C)ccc(C)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16157852,False
1786,CCOc1c(C)ccc(NC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14665592,False
1787,CCOc1c(OC)ccc(CCCCCl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24987444,False
1788,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2c[nH]c3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46113768,False
1789,CCc1ccc(Cl)c(OS)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24825029,False
1790,CCc1ccc(OC)c(OCCCCS)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.31205705,False
1791,CN1CCCC(CN2CCN(Cc3cccc(Cl)c3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.45081747,False
1792,COCC1CCCN(c2ccccc2N2CCN(c3ccc(Cl)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.34383348,False
1793,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cc(C)cc(N)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.32616007,False
1794,COc1ccc(-c2ccccc2)cc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92632395,False
1795,COc1ccc2sc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37907982,False
1796,Cc1ccc(N2CCN(c3cccc(Cl)c3)C2=O)s1,[*]N1CCN([*])C1=O,0.31991893,False
1797,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3399018,False
1798,Cc1cccc(N2CCN(CCN3CC4CCC3CC(C)(C)C4)C2=O)c1,[*]N1CCN([*])C1=O,0.59441507,False
1799,N#Cc1cccc(CN2CCN(CCN3CCN(c4cccc(OC(F)(F)F)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.6520596,False
1800,N#Cc1cccc(N2CCN(c3cc(CN4CCNCC4)ccc3Cl)C2=O)c1,[*]N1CCN([*])C1=O,0.49416655,False
1801,O=C(CNS(=O)(=O)c1ccc(F)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6594136,False
1802,O=C(NCC=CCN1CCN(c2c[nH]c3ccc(Cl)cc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49788168,False
1803,O=C(NCC=CCN1CCN(c2ccc3ccc(O)cc3n2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.411578,False
1804,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnccc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92344767,False
1805,O=C(NCC=CCN1CCN(c2csc(-c3ccccc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45698565,False
1806,O=C1N(CC2CCNc3ccsc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6407262,False
1807,O=C1N(CC2NCCCN2c2cccc(Cl)c2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.48073578,False
1808,O=C1N(CCN2CCCc3sccc3C2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.51278836,False
1809,O=C1N(CCc2cccc(Cl)c2)CCN1CC1CCCNC1,[*]N1CCN([*])C1=O,0.38217688,False
1810,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1c1cccc(COC2CCCCC2)c1,[*]N1CCN([*])C1=O,0.40196756,False
1811,O=C1N(c2ccc3c(c2)OCO3)CCN1C1CCN(Cc2ccccc2)CC1,[*]N1CCN([*])C1=O,0.54523396,False
1812,O=C1N(c2cccc(Cl)c2)CCN1C1CCC(Cc2ccc(F)cc2)NC1,[*]N1CCN([*])C1=O,0.5035329,False
1813,O=C1N(c2ccccc2)CCN1C1CCCNCC1,[*]N1CCN([*])C1=O,0.36296645,False
1814,C=Cc1cccc2c1OCC(N(CCC)Cc1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.68484014,False
1815,CC1(C)CN(CCN2CCN(c3ccc(F)cc3)C2=O)Cc2ccccc21,[*]N1CCN([*])C1=O,0.7123826,False
1816,CC1CN(CCN2CCN(c3cccc(C#N)c3)C2=O)c2ccccc21,[*]N1CCN([*])C1=O,0.5300076,False
1817,CCCCc1cccc2c1OCC(N(CCC)c1ccc(F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.61166877,False
1818,CCN(CCC(C)C)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4580762,False
1819,CCc1ccc(C)c(C(=O)NCC2CCCN2SC)c1O[N+](=O)[O-],[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15071476,False
1820,CN(CCN1CCN(C(F)(F)F)C1=O)Cc1nc2ccccc2s1,[*]N1CCN([*])C1=O,0.43232825,False
1821,CN1CCCCCC1N1CCN(Cc2cccs2)C1=O,[*]N1CCN([*])C1=O,0.30778286,False
1822,COC1CCCCN1Cc1ccccc1N1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.30255702,False
1823,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cc(C)ccc2O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37474465,False
1824,COc1c(C(=O)NCCN2CCN(c3ccccn3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.88443714,False
1825,COc1cc(F)ccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.80349314,False
1826,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39871123,False
1827,COc1ccc(O)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9480541,False
1828,COc1ccc(SC)c(C(=O)NCC2CCCN2C)c1OSC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24469367,False
1829,COc1ccc2occ(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84590906,False
1830,COc1cccc(Cl)c1N1CCN(CC=CCNC(=O)c2ccncc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.364135,False
1831,COc1cccc(N2CCN(CCN3CCCC(c4ccccc4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.83191746,False
1832,COc1ccccc1C(=O)NCC=CCN1CCN(C(=O)C2c3ccccc3-c3ccccc32)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.20107546,False
1833,COc1ccccc1CN1CCN(CC=CCNC(=O)c2ccccc2N)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.26046285,False
1834,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3cc[nH]c3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88421255,False
1835,N#Cc1cccc(C2CCCCN2CCN2CCN(CC(F)(F)F)C2=O)c1,[*]N1CCN([*])C1=O,0.4689005,False
1836,O=C(NCC=CCN1CCN(c2c[nH]c3ccccc3c2=O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48818934,False
1837,O=C(NCC=CCN1CCN(c2cc(-c3ccc(Cl)cc3)c[nH]2)CC1)c1cccc(F)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47789943,False
1838,O=C(NCC=CCN1CCN(c2ccc3ccc(F)cc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45211965,False
1839,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1N1CCCCC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7169022,False
1840,O=C(NCC=CCN1CCN(c2ccccc2O)CC1)c1ccc(-c2ccncc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80134356,False
1841,O=C(NCC=CCN1CCN(c2ccccc2Oc2ccc(OCCF)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9234607,False
1842,O=C(NCc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36409447,False
1843,O=C1N(CCN2CCCCC[S+]2[O-])CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.54126877,False
1844,O=C1N(Cc2ccc3ccccc3c2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.2857049,False
1845,CC(C)c1cccc(N2CCN(C3CCCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.18181619,False
1846,CC(CN1CCN(c2cccc(Cl)c2)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.40298107,False
1847,CC(c1cccc(Cl)c1)N1CCN(C(=O)NCc2csc3ccccc23)C1=O,[*]N1CCN([*])C1=O,0.12381011,False
1848,CC12CCCCC1CCN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.8299017,False
1849,CC1C2CCCCC1(CN(C)CCN1CCN(Cc3ccc(Cl)cc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.45710346,False
1850,CCCc1cccc2c1OCC(N(C)CC(=O)c1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.27425116,False
1851,CCCc1cccc2c1OCC(N(CCC)c1ccn(C)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.66291606,False
1852,CCCc1cccc2c1OCC(N(CCC)c1ccon1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5859912,False
1853,CCOC1OCCc2cc(CN3CCN(C(c4ccccc4)c4ccccc4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.38303724,False
1854,CCOc1c(Cl)ccc(CSC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19810629,False
1855,CCOc1ccc(Cl)cc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.71428674,False
1856,CCOc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8163457,False
1857,CCc1ccc(OC)c(C(=O)NCC2CCCN2CCCCl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.505231,False
1858,CCc1ccc(OC)c(OCCCS)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.32237586,False
1859,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([N+](C)=O)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.36654776,False
1860,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Br)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3886631,False
1861,COc1ccccc1-c1c(C(=O)NCCN2CCN(ON)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.44275823,False
1862,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(-c3ccc(OCCF)cc3)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42457876,False
1863,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Cl)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9748347,False
1864,COc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2Br)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.96235555,False
1865,Cc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.79186434,False
1866,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46304762,False
1867,O=C(NCC=CCN1CCN(c2ccc(CO)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46423426,False
1868,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(CCO)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.974821,False
1869,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94940543,False
1870,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1coc(-c2ccccc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81950814,False
1871,O=C(NCC=CCN1CCN(c2ccsc2-c2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71394616,False
1872,O=C1N(CCN2CC3CCCC2CC3)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.6309534,False
1873,O=C1N(CCN2CCCC(c3cccc(Cl)c3)C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.8302195,False
1874,O=C1N(Cc2cccnc2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.28455213,False
1875,O=C1N(c2ccccc2Cl)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.211516,False
1876,O=Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41796374,False
1877,CC(C)N1CCN(Cc2cccc(N3CCN(c4cccc(Cl)c4)C3=O)c2)CC1,[*]N1CCN([*])C1=O,0.5392664,False
1878,CC(CN1CCN(C2NCC3CCC2Cc2ccccc2N(C)C3)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4037738,False
1879,CCCCN(C1COc2c(CC)cccc2C1)n1ccc(C(F)(F)F)c1,[*]CN([*])C1COc2c([*])cccc2C1,0.468294,False
1880,CCCCN(c1ccc(C(C)=O)s1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.33740896,False
1881,CCCN(CC(=O)c1ccc(F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43034875,False
1882,CCN(CC(C)C)C1COc2c(Cc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54393244,False
1883,CCN(CC(C)C)C1COc2c(cccc2C(=O)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.29742804,False
1884,CCN1CCCC1CNC(=O)c1c(C)ccc(Cl)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.679152,False
1885,CCNc1cccc(N2CCN(CC3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.44166946,False
1886,CCc1ccc(C)c(C(=O)NCC2CCCN2C)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19217558,False
1887,COCc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8875598,False
1888,COc1c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9238796,False
1889,COc1cccc(N2CCN(Cc3ccc4ccccc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.34368244,False
1890,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(Cl)cc3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46730906,False
1891,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(N)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3992742,False
1892,COc1ccccc1N1CCN(CC=CCNC(=O)C2OCCc3ccccc32)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7128153,False
1893,Cc1cc(N2CCN(C3CCCNC3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.25155416,False
1894,Cc1ccc(N2CCN(C3CCCCCN3C)C2=O)s1,[*]N1CCN([*])C1=O,0.33524653,False
1895,Cc1cccnc1-c1ccc(C(=O)C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7809217,False
1896,O=C(CC=Cc1ccccc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7263658,False
1897,O=C(NCC=CCN1CCN(c2ccc3cc(O)cnc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42626458,False
1898,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccc(F)cc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93554467,False
1899,O=C(NN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.27177677,False
1900,O=C1N(CC2CC3CCCN2CC3)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.48917943,False
1901,O=C1N(CC2CCCC3CCCC3N2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6205852,False
1902,O=C1N(CC2CCCCCN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.547815,False
1903,O=C1N(CCN2CC3CCC(Cc4ccccc4C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7365267,False
1904,O=C1N(CCN2CCN(Cc3ccccc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7968959,False
1905,O=C1N(CCN2CCc3ccsc3CC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.69622475,False
1906,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc2c1CCCO2,[*]N1CCN([*])C1=O,0.64461076,False
1907,O=C1N(CCN2c3ccccc3CC23CCCCC3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.45277676,False
1908,O=C1N(Cc2cccc(OC(F)(F)F)c2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.30853596,False
1909,O=C1N(Cc2ccccc2)CCN1C1CNCC2Cc3ccccc3CC2C1,[*]N1CCN([*])C1=O,0.3998812,False
1910,O=C1N(c2cccc(Cl)c2)CCN1C1CCCCC12Cc1ccccc1CCN2,[*]N1CCN([*])C1=O,0.39585134,False
1911,C=CCOc1c(Cl)ccc(CCCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21951029,False
1912,CC1(C)CC2CCC(CN3CCN(c4ccccc4Cl)C3=O)(CC2)C1,[*]N1CCN([*])C1=O,0.28749457,False
1913,CC1CCC(C)(C)CN1CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.47971758,False
1914,CC1CCCC(CN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)N1,[*]N1CCN([*])C1=O,0.32472068,False
1915,CCCCN(CC)C1COc2c(cccc2-c2ccc(O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5278829,False
1916,CCCN(C1CCCCC1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47649097,False
1917,CCCN(CF)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6373792,False
1918,COCN(C(C)=O)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2377162,False
1919,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(N(C)C)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3969919,False
1920,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccn2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4074687,False
1921,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2sccc2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39921093,False
1922,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41947162,False
1923,COc1cccc(-c2cc(C(=O)NCC=CCN3CCN(c4ccccc4F)CC3)c[nH]2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56638247,False
1924,COc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.94010615,False
1925,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3cc(OCCF)ccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40519455,False
1926,CSc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42240652,False
1927,Cc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4F)CC3)cc2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5792349,False
1928,Cc1ccc(-c2ccccc2)occc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8060038,False
1929,Cc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82378805,False
1930,Cc1cccc(CN2CCCC(N3CCN(CC(F)(F)F)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.4097927,False
1931,O=C(CN1CCN(c2ccccc2)C1=O)NCc1cccs1,[*]N1CCN([*])C1=O,0.069170214,False
1932,O=C(NCC=CCN1CCN(c2ccc3c(c2)C(O)CCC3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49905023,False
1933,O=C(NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2-3)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5031885,False
1934,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ncn[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9090495,False
1935,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(CNC(=O)c2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85830647,False
1936,O=C(NCC=CCN1CCN(c2cccc(O)c2OCCF)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72447646,False
1937,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc([N+](=O)[O-])ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8156478,False
1938,O=C(NCC=CCN1CCN(c2coc(-c3ccccc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41088697,False
1939,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc2c1OCCC2,[*]N1CCN([*])C1=O,0.7534277,False
1940,O=C1N(CCN2Cc3sccc3Cc3ccccc32)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.59402746,False
1941,O=C1N(CCNC2CCC3CCCCC3C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3726044,False
1942,O=C1N(CCn2ccc3ccccc32)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.4459396,False
1943,O=C1N(Cc2cc3ccccc3s2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.37939435,False
1944,C#Cc1ccc2c(c1)CN(CCN1CCN(c3cc(Cl)cc(Cl)c3)C1=O)CCC2,[*]N1CCN([*])C1=O,0.7590721,False
1945,CC(C)Oc1cccc(N2CCN(Cc3cccs3)C2=O)c1,[*]N1CCN([*])C1=O,0.283248,False
1946,CC(C)Oc1cccc(N2CCN(c3ccc4c(c3)CCc3ccccc3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.3029054,False
1947,CC(c1ccccc1)C1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.89722806,False
1948,CC1(C)Cc2ccccc2N1CCN1CCN(c2cc(F)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.47843155,False
1949,CCCCN(c1cocn1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4802519,False
1950,CCCN(Cc1ccc(S(C)(=O)=O)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49652126,False
1951,CCCc1cccc2c1OCC(N(CC)CC(=O)c1ccc(F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.37206885,False
1952,CCN(CC(C)C)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.55802804,False
1953,CCN1CCCC1CNC(=O)c1c(Br)ccc(O)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8357332,False
1954,CCNC(=O)N1CCCC1CNC(=O)c1c(OC)ccc(SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17954628,False
1955,CCOc1c(CO)ccc(Cl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24215192,False
1956,CCOc1c(OC)ccc(CCCF)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24367115,False
1957,CCc1ccc(Br)c(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2664845,False
1958,CN(CCN1CCN(c2cccc(Cl)c2F)C1=O)CC1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.5437345,False
1959,COCC1CCCN1CCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.54488033,False
1960,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(C)cc2[N+](=O)[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33699214,False
1961,COc1cccc(OC)c1C(=O)NC(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8445467,False
1962,COc1cccc2oc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3811012,False
1963,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3ccc(OCCF)cc3s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92429924,False
1964,Cc1ccc2c(c1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.63585097,False
1965,Cc1ccccc1C(=O)NCC=CCN1CCN(c2cc(O)ccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43625614,False
1966,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(OCCF)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89606804,False
1967,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2cc(O)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9647708,True
1968,O=C(NCC=CCN1CCN(c2cccnc2)CC1)c1ccccc1CF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.500161,False
1969,O=C1N(CC(=O)N2CCc3cc(Cl)ccc32)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.26616958,False
1970,O=C1N(CC(F)(F)CF)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.50973374,False
1971,O=C1N(CCN2CCCc3ccccc3C2)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.7293015,False
1972,O=C1N(CCc2cccc(Cl)c2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.42092887,False
1973,O=C1N(c2cccc(Cl)c2)CCN1C1CCCC2NCCCC21,[*]N1CCN([*])C1=O,0.41308895,False
1974,O=C1N(c2cccc(F)c2)CCN1C1CCC(NCc2ccccn2)CC1,[*]N1CCN([*])C1=O,0.28172147,False
1975,CC(CN1CCN(c2cc(Cl)ccc2Cl)C1=O)NCC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.3125147,False
1976,CC(c1cccc(C#N)c1)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8240515,False
1977,CCCCN(c1c[nH]c2ccccc12)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4525058,False
1978,CCCCN(c1ccc2[nH]ccc2c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43079066,False
1979,CCCN(CCC)C1COc2c(cccc2C(=O)NCc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.58940405,False
1980,CCc1ccc(Br)c(OF)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23281962,False
1981,CCc1cccc2c1OCC(N(Cc1ccc(C)cc1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.37083474,False
1982,CN(CCN1CCN(c2ccccc2Cl)C1=O)Cc1cccc2ccccc12,[*]N1CCN([*])C1=O,0.49374127,False
1983,CN(CN1CCN(c2ccccn2)C1=O)CC12CCCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.39933306,False
1984,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2nc3ccccc3s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51949835,False
1985,COc1cccc(N2CCN(CCN3CCN(Cc4cc5ccccc5[nH]4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.7437855,False
1986,COc1cccc([N+](=O)c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.40588668,False
1987,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(OCCF)cc3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9392488,False
1988,Cc1ccc(CN2CCN(CC3CCCCCN3C)C2=O)cc1,[*]N1CCN([*])C1=O,0.27952975,False
1989,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccc4ccccc4c3)CC2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6118024,False
1990,O=C(Cc1ccccc1OCCF)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64311886,False
1991,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5146154,False
1992,O=C(NCC=CCN1CCN(c2ccc3c(c2)CCCc2ccccc2-3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4562191,False
1993,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2cccc(Cl)c2)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9225733,False
1994,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(O)c(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9211927,False
1995,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ncccc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88250166,False
1996,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cccc(OCCF)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9357985,False
1997,O=C1N(CC2Cc3ccccc3C2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.55266804,False
1998,O=C1N(CCN2CCCC(C(F)F)CC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.8573789,False
1999,O=C1N(CCN2CCN(Cc3csc4ccccc34)CC2)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.69371426,False
2000,O=C1N(Cc2cc3ccccc3s2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.3542979,False
2001,O=C1N(Cc2ccc(Cl)cc2)CCN1CC1CCCCN1,[*]N1CCN([*])C1=O,0.3953554,False
2002,O=C1N(Cc2cccc(Cl)c2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.38191462,False
2003,O=C1N(Cc2ccccc2)CCN1C1CCc2ccsc2CC1,[*]N1CCN([*])C1=O,0.51394606,False
2004,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CCc2ccccc2O1,[*]N1CCN([*])C1=O,0.4702885,False
2005,CC(C)n1cc(N2CCN(CCCN3Cc4ccccc4C3)C2=O)cc1C#N,[*]N1CCN([*])C1=O,0.71394616,False
2006,CC(CN1CCN(c2ccc(F)cc2)C1=O)N1CCCCCC1,[*]N1CCN([*])C1=O,0.24634616,False
2007,CC1(C)C2CCC1(CNCCN1CCN(c3ccccc3Cl)C1=O)CC2,[*]N1CCN([*])C1=O,0.3766389,False
2008,CCCN(CC(=O)c1ccc(OC)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.36549935,False
2009,CCCN(CCC)C1COc2c(cccc2-c2cnoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7395771,False
2010,CCCN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3471076,False
2011,CCCc1cccc2c1OCC(N(CCC)S(=O)(=O)c1cccc(C(F)(F)F)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5034753,False
2012,CCN(CC(C)C)C1COc2c(cccc2-c2ccc(C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40488526,False
2013,CCN1CCCC1CNC(=O)c1c(C)ccc(O)c1OS(C)(=O)=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.66929233,False
2014,CCOCCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.4597472,False
2015,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC1CCCc2ccccc21,[*]N1CCN([*])C1=O,0.72111946,False
2016,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cc(Cl)ccc2Cl)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.46904522,False
2017,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(O)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70739305,False
2018,COc1cc(C)ccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7787676,False
2019,COc1ccc(-c2c[nH]c(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42686176,False
2020,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)nc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9109398,False
2021,COc1ccc(Br)cc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6278265,False
2022,COc1ccc(N2CCN(CC=CCNC(=O)c3ccc(Cl)cc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44579965,False
2023,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(C)ccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4794079,False
2024,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C)o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8106948,False
2025,COc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2N)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.93444616,False
2026,Cc1cccc(N2CCN(C3CCCC4NCCCC43)C2=O)c1,[*]N1CCN([*])C1=O,0.2456715,False
2027,Cc1ccccc1-c1c(C(=O)NCCN2CCN(C#N)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38647404,False
2028,N#Cc1cccc(N2CCN(CC(=O)NC3CCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.25044134,False
2029,O=C(NCC=CCN1CCN(c2cc(Cl)ccc2OCCF)CC1)c1cc2ccccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4982337,False
2030,O=C(NCC=CCN1CCN(c2ccc(Cl)nc2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5189082,False
2031,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc([N+](=O)[O-])c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74801296,False
2032,O=C1N(CC2CCCCC2)CCN1CC1COCOC1,[*]N1CCN([*])C1=O,0.24150945,False
2033,O=C1N(CC2CCCOC2)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.28191832,False
2034,O=C1N(CC2COCN2)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.2848724,False
2035,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(Cl)cn1,[*]N1CCN([*])C1=O,0.85036933,False
2036,O=C1N(CN2CCNC2CF)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.53035194,False
2037,O=C1N(Cc2ccc(Cl)cc2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.30657944,False
2038,CC(C)(C)c1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)s1,[*]N1CCN([*])C1=O,0.86268365,False
2039,CC(C)N1CCN(CCN2CCN(CCOC(F)(F)F)C2=O)CC1,[*]N1CCN([*])C1=O,0.5610443,False
2040,CC(NCN1CCN(C2COOC2)C1=O)c1cccc(C#N)c1,[*]N1CCN([*])C1=O,0.28540424,False
2041,CC1CNCCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.8194647,False
2042,CCCCN(CC)C1COc2c(cccc2-c2cc(C(=O)O)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37118432,False
2043,CCCCN(O)C1COc2c(Cc3ccc(C)s3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3870836,False
2044,CCCN(O)C1COc2c(cccc2C2CCCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5731115,False
2045,CCCc1cccc2c1OCC(N(CC)c1cccc(C(F)(F)F)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6024792,False
2046,CCCc1cccc2c1OCC(N(CCC)C(=O)c1ccco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.44376817,False
2047,CCN(C)CCN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.61798257,False
2048,CCN(CCCCF)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.58495,False
2049,CCOC1CCCc2cccc(N3CCN(CN4CCCCC4)C3=O)c21,[*]N1CCN([*])C1=O,0.32927713,False
2050,CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1CN(CC)CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.3361998,False
2051,COC(=O)C1CCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6583844,False
2052,COCC1C2CCCCC1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.8928809,False
2053,COCC1CC2CC1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.8227227,False
2054,COCc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4478612,False
2055,COCc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4321747,False
2056,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76441157,False
2057,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80189145,False
2058,COc1cccc(CN2CCCC(CN3CCN(c4cc5ccccc5s4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.5554641,False
2059,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(CNC(=O)c3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8709465,False
2060,COc1ccccc1N1CCN(CC=CCNC(=O)c2cnc3ccc(O)cc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8977094,False
2061,Cc1ccc(F)cc1-c1ccc(N2CCN(CC=CCNC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31940386,False
2062,O=C(NCC=CCN1CCN(c2cccc(-c3ccccn3)n2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50741845,False
2063,O=C(NCC=CCN1CCN(c2cccs2)CC1)c1ccc(-c2cccc(O)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3778186,False
2064,O=C(NCC=CCN1CCN(c2cnccn2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4727208,False
2065,O=C(NCCN1CCN(c2ccccc2Cl)CC1)c1cc(Br)c2ccccc2c1CO,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8235295,False
2066,O=C1N(CC2CCCNCC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.4689001,False
2067,O=C1N(CCN2CCCCCC2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.7712728,False
2068,O=C1N(CCN2c3ccccc3CC3CCCCC32)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.57976973,False
2069,O=C1N(Cc2cc3ccccc3o2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4365473,False
2070,O=C1N(Cc2ccc3c(c2)CNCC3)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.41779304,False
2071,C=[SH]Cc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.69576395,False
2072,CC(CN1CCN(c2cccc(C#N)c2)C1=O)Oc1ccccc1,[*]N1CCN([*])C1=O,0.31609318,False
2073,CC1c2ccccc2CN1CCN1CCN(c2cc(Cl)ccc2F)C1=O,[*]N1CCN([*])C1=O,0.6374839,False
2074,CCCCC1N(CCN2CCN(c3cccc(OC)c3)C2=O)CC2CC1(C)C2,[*]N1CCN([*])C1=O,0.47066635,False
2075,CCCCN(CC)C1COc2c(cccc2OCc2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6034193,False
2076,CCCCN(Cc1ccc(OC)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5266171,False
2077,CCCc1cccc2c1OCC(N(CCC)OC(=O)c1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4729546,False
2078,CCCc1cccc2c1OCC(N(CF)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.37324515,False
2079,CCN(CCC(C)C)C1COc2c(cccc2-c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49594796,False
2080,CCSN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15808274,False
2081,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC12CCCC1CC(C)(C)C2,[*]N1CCN([*])C1=O,0.8277096,False
2082,CN1CCCC(CN2CCN(c3cc(C#N)ccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.3492819,False
2083,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)ccc1CF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37033772,False
2084,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(-c4cccc(OC)c4)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36783433,False
2085,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(F)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47601876,False
2086,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3ccccn3n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8825427,False
2087,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(F)c3)c(C)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89175004,False
2088,Cc1c(-c2ccccc2)cccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6781635,False
2089,Cc1cccc(-c2cccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43229192,False
2090,Cc1cccc2nc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84627455,False
2091,O=C(Cc1ccc(OCCF)cc1)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79620403,False
2092,O=C(NCC=CCN1CCN(c2ccc(O)[nH]2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42950258,False
2093,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(Br)cs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9092938,False
2094,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(O)c2ccccc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76390076,False
2095,O=C(NCC=CCN1CCN(c2cccc3c(O)cccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6800929,False
2096,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81309193,False
2097,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cccc(F)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89657384,False
2098,O=C1N(CC(F)(F)F)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.22435665,False
2099,O=C1N(CC2(CCl)CCCNC2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.2909061,False
2100,O=C1N(CCN2C3CCCC2CCC3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.56212294,False
2101,O=C1N(CN2Cc3ccccc3C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.5933667,False
2102,O=C1N(c2ccc(Cl)cc2)CCN1C1CCCCC1c1ccccc1,[*]N1CCN([*])C1=O,0.2884779,False
2103,O=C1N(c2cccc(C(F)(F)F)c2)CCN1C1CCCCN1CCc1ccccc1,[*]N1CCN([*])C1=O,0.41099423,False
2104,CC(C)N1CCCCC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.63077706,False
2105,CC(C)N1CCc2ccc(CN3CCN(c4ccccc4)C3=O)cc21,[*]N1CCN([*])C1=O,0.36580902,False
2106,CC(CN1Cc2ccccc2C1)N1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.62906367,False
2107,CCC(C)NC1Cc2ccccc2-c2ccc(N3CCN(c4ccccc4)C3=O)cc21,[*]N1CCN([*])C1=O,0.36819494,False
2108,CCCCCN(c1ccoc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4892978,False
2109,CCCCN(CC)C1COc2c(cccc2-c2ccc(C)nc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3623638,False
2110,CCCCN(CC)C1COc2c(cccc2S(=O)(=O)O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4687685,False
2111,CCCCN(NC(=O)c1cccs1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.25774312,False
2112,CCCN(C(=O)c1ccc(C(F)(F)F)cc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.22453973,False
2113,CCCc1cccc2c1OCC(N(C)CC(=O)c1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3222554,False
2114,CCN(C)CCN1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.6105624,False
2115,CCNCCN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.36108592,False
2116,CCc1ccc([SH](C)[O-])c(OO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20165417,False
2117,CN(CCN1CCN(c2ccccc2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.6015237,False
2118,COCC1CCCN1CCN1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.5246052,False
2119,COc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8599544,False
2120,COc1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3Br)CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.82826537,False
2121,COc1ccccc1-c1ncccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6674549,False
2122,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5572338,False
2123,COc1ccccc1CC(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8315661,False
2124,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(C)ccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8759412,False
2125,O=C(NCC=CCN1CCN(c2[nH]c(O)cc2-c2ccc(O)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3068477,False
2126,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccncc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9520053,False
2127,O=C(NCC=CCN1CCN(c2nccc3ccccc23)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44135225,False
2128,O=C(NCC=CCN1CCN(c2sccc2-c2ccc(F)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40002105,False
2129,O=C1N(CC2CCCCCN2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.542644,False
2130,O=C1N(CCN2Cc3ccccc3C2Cc2ccccc2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.64011806,False
2131,O=C1N(CCNCC23CCC(CC2)CC3CO)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4148982,False
2132,O=C1N(CNCC2CCCc3sccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.43095598,False
2133,O=C1N(COC2CCNCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6475751,False
2134,O=C1N(Cc2cccc(OC3CCCCC3)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.57932067,False
2135,O=C1N(c2ccc(Cl)cc2)CCN1C1CCNCC1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.22508548,False
2136,O=C1N(c2ccccc2F)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.20913713,False
2137,CC(C)NC1CCCc2ccc(CN3CCN(c4cccc(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.3985676,False
2138,CC(C)OC1CCCc2ccc(N3CCN(Cc4cccs4)C3=O)cc21,[*]N1CCN([*])C1=O,0.4358554,False
2139,CC(C)Oc1cccc(N2CCN(C3CCC(c4ccccc4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.21587116,False
2140,CC(C)c1cccc(N2CCN(Cc3cc4ccccn4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.40788624,False
2141,CC(CN1Cc2ccccc2C1)CN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.74025804,False
2142,CC1(CN2CCN(c3cccc(C(F)(F)F)c3)C2=O)CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.5166354,False
2143,CC1CCC(CN2CCN(c3ccc4c(c3)CCCC4)C2=O)CC1,[*]N1CCN([*])C1=O,0.39512748,False
2144,CC1CCCC(N2CCN(Cc3ccccc3)C2=O)N1,[*]N1CCN([*])C1=O,0.38553515,False
2145,CC1CCCN(CCN2CCN(c3ccccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.5268604,False
2146,CCCCN(CC)C1COc2c(cccc2C(=O)Cc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40304762,False
2147,CCCN(CO)C1COc2c(cccc2C2CCC(=O)CC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5546304,False
2148,CCCc1cccc2c1OCC(N(CC(C)=O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.35079375,False
2149,CCCc1cccc2c1OCC(N(CC)CCc1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6327221,False
2150,CCCc1cccc2c1OCC(N(CC)CS(=O)(O)=Cc1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3969032,False
2151,CCN1CCCC1CNC(=O)c1c(Cl)ccc(S(=O)(=O)O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8085945,False
2152,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1cccc(F)c1,[*]N1CCN([*])C1=O,0.73604,False
2153,CN(CCN1CCN(c2ccccc2)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.61330205,False
2154,CN(CCO)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97525865,False
2155,CN1CCCC(CN2CCN(C3CCCCC3)C2=O)C1,[*]N1CCN([*])C1=O,0.39558205,False
2156,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4Cl)CC3)[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40934387,False
2157,COc1ccc(Cl)cc1C(=O)NCC=CCN1CCN(c2cccc(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.455828,False
2158,COc1ccc2[nH]c(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4OCCF)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39755034,False
2159,Cc1ccccc1C(=O)NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38729033,False
2160,N#Cc1ccccc1CNCCN1CCN(c2ccc3sccc3c2)C1=O,[*]N1CCN([*])C1=O,0.3378247,False
2161,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1ccc(-c2ccccc2Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46762758,False
2162,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51000214,False
2163,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1sc2ccccc2c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8848142,False
2164,O=C(NCC=CCN1CCN(c2cccc(O)c2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4732022,False
2165,O=C(NCC=CCN1CCN(c2ccccc2-c2ccnc(O)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6616924,False
2166,O=C(NCC=CCN1CCN(c2ccccc2-c2ccncc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8134573,False
2167,O=C(NCC=CCN1CCN(c2ccccc2OCc2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8945802,False
2168,O=C1N(CC2CCc3ccc(Cl)cc3C2O)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.42291123,False
2169,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.6310208,False
2170,CC(C)(c1ccccc1)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91140336,False
2171,CC(C)N1CCN(CCN2CCN(C3COOC3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5132958,False
2172,CCCN(Cc1cc(C(F)(F)F)c[nH]1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6120829,False
2173,CCCN(Cc1ccccc1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.69708383,False
2174,CCN(CC(C)C)C1COc2c(cccc2-c2cccc(C(=O)OC)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.26717722,False
2175,CCN(Cc1ccsc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.516441,False
2176,CCOc1c(C(=O)NCCN2CCN(c3ccc(C)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.65847206,False
2177,CCOc1c(OC)ccc(CCF)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24758953,False
2178,CCc1ccc(C)c(OO)c1C(=O)NCC1CCCN1[N+](=O)[O-],[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.11553087,False
2179,CCc1cccc2c1OCC(N(C)Cc1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.44483203,False
2180,CN1CCN(c2cc(Cl)cc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.30559462,False
2181,COC1=CC=CC=c2[nH]cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c2=C1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7841854,False
2182,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(C#N)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.36589488,False
2183,COc1ccc2sc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8604851,False
2184,COc1ccccc1C(=O)NCC=CCN1CCN(C2=CC=CC(c3ccc(O)cc3)C2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31363165,False
2185,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3)cc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86832917,False
2186,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3[nH]c(O)cc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9368131,False
2187,COc1ccncc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8711631,False
2188,Cc1cccc(N2CCN(CCN3CCNCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.72596765,False
2189,Cc1ccccc1N1CCN(CCN2CCCCCCC2)C1=O,[*]N1CCN([*])C1=O,0.5585587,False
2190,O=C(CN1CCN(c2ccccc2)C1=O)NCc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.07561021,False
2191,O=C(NCC=CCN1CCN(c2cc(Cl)ccc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64511454,False
2192,O=C(NCC=CCN1CCN(c2cc3ccccc3cc2OCCF)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5730717,False
2193,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C(=O)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.855988,False
2194,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c2c(O)cccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8416423,False
2195,O=C(NCC=CCN1CCN(c2cccccc2=O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70452094,False
2196,O=C(NCC=CCN1CCN(n2c(O)ccc2-c2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2783328,False
2197,O=C1N(CCN2CC3CCC(CC3)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.64361244,False
2198,O=C1N(CCN2CCCC3=C(C=CSC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8089709,False
2199,O=C1N(CCc2ccccc2)CCN1CC1CCCCN1,[*]N1CCN([*])C1=O,0.49910763,False
2200,O=C1N(CN2CC3CCCCCCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4288599,False
2201,CCCCN(C(=O)[O-])C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39232424,False
2202,CCCN(c1ccccc1)C1COc2c(CC(C)C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6293784,False
2203,CCN1CCCC1CNC(=O)c1c(OC)ccc(CCCCl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.85852575,False
2204,CCN1CCCC1CNC(=O)c1c(SC)ccc(C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8028909,False
2205,CCc1ccc(C)c(OO)c1C(=O)NCC1CCCN1COC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.47293052,False
2206,CCc1cccc2c1OCC(N(CC)CC(=O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.33565575,False
2207,CN1CCCC(c2ccccc2)c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc21,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5814615,False
2208,COc1c(C(=O)NCCN2CCN(c3cc([N+](=O)[O-])cccc3=O)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7802276,False
2209,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(Cl)cc3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7007428,False
2210,COc1c2cccccc-2cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49999622,False
2211,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4Cl)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43306318,False
2212,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc(Br)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8913028,False
2213,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cc(O)ccc3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86313623,False
2214,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3)c(C)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85298824,False
2215,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cscn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.936821,False
2216,Cc1ccc(CN2CCN(CN(C)Cc3ccc(F)cc3)C2=O)cc1,[*]N1CCN([*])C1=O,0.26327708,False
2217,Cc1ccc(O)nc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.878179,False
2218,Cc1cccc(CN2CCN(c3cccc(C(C)C)c3)C2=O)n1,[*]N1CCN([*])C1=O,0.25418046,False
2219,Cc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2[N+](=O)[O-])CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51551735,False
2220,O=C(NCC=CCN1CCN(c2c[nH]c(-c3cccc(O)c3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46560183,False
2221,O=C(NCC=CCN1CCN(c2ccc(F)cc2F)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6472838,False
2222,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cc2ccccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47827998,False
2223,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-n2cccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.870704,False
2224,O=C(NCCN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1)c1ccncc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32142684,False
2225,O=C(NCCN1CCN(Cl)CC1)c1cc(Br)c2ccccc2c1CO,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.42354113,False
2226,O=C(NN1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1)c1ccc(-n2ccnc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.24278492,False
2227,O=C1N(CCN2CCC(CO)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.79911804,False
2228,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(OCC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.72479784,False
2229,O=C1N(CCOC2CCNCC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.56108135,False
2230,O=C1N(CCc2cccc(C#Cc3ccccc3)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.592328,False
2231,O=C1N(Cc2ccccc2)CCN1CC1COCO1,[*]N1CCN([*])C1=O,0.38344422,False
2232,O=C1N(Cc2cccnc2)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.3003112,False
2233,O=C1N(c2ccc(CCF)cc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.42118606,False
2234,CCCCN(C(=O)c1csc2ccccc12)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3645751,False
2235,CCCCN(CC)C1COc2c(cccc2C(C)(C)c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6082524,False
2236,CCCN(CC(C)=O)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5167159,False
2237,CCCN(CC)C1COc2c(Cc3ccco3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.50260854,False
2238,CCCN(CC)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7238436,False
2239,CCN(CC(C)C)C1COc2c(Cl)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6097794,False
2240,CN(CN1CCN(Cc2cccc(Cl)c2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.4641684,False
2241,CN1Cc2ccccc2CC2CCC1CCC2N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.44070536,False
2242,CNc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)ccc1CO,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3762851,False
2243,COC1c2ccccc2CC1CN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.4701182,False
2244,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3COCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7507501,False
2245,COc1ccc(C)c(OC)c1C(=O)NCC1CCCN1CCN,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.46643567,False
2246,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46800599,False
2247,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-n3ccnc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91140044,False
2248,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3nc(O)[nH]c3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8589097,False
2249,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(-n3ccnc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82023036,False
2250,COc1ccccc1N1CCN(CC=CCNC(=O)c2cnccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.883606,False
2251,Cc1ccc(C)c(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40579084,False
2252,N#Cc1ccc2c(c1)CN(CCN1CCN(c3ccc(Cl)cc3)C1=O)C2,[*]N1CCN([*])C1=O,0.71846694,False
2253,Nc1cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5123064,False
2254,O=C(COc1ccccc1OCCF)NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35049385,False
2255,O=C(NCC=CCN1CCN(c2ccc(-c3cscn3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42991,False
2256,O=C(NCC=CCN1CCN(c2ccc(-c3nccs3)cc2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47548053,False
2257,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccnc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96241236,False
2258,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cncc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8953618,False
2259,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2cccc(OCCF)c2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8393935,False
2260,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(F)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88539535,False
2261,O=C1N(CC2CCCCCN2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.35738543,False
2262,O=C1N(CC2CCN3CCCC(Cc4ccccc42)C3)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.64682245,False
2263,O=C1N(CC2CCc3ccsc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5582196,False
2264,O=C1N(CCN2C3CCCCC2Cc2ccccc2C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.53124475,False
2265,O=C1N(CCN2CC3CCCCC2Cc2ccccc2C3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.54031676,False
2266,O=C1N(CCN2CCCCC2C(F)(F)F)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.65716714,False
2267,O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.43876353,False
2268,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.14539622,False
2269,O=Cc1c[nH]c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8944691,False
2270,CC(=O)Oc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89743555,False
2271,CC(C)N1Cc2ccccc2CC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.571963,False
2272,CC(NCCN1CCN(c2cccc(Cl)c2)C1=O)c1cccs1,[*]N1CCN([*])C1=O,0.55605334,False
2273,CC1C2CCC1(CN(C)CN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.5639751,False
2274,CC1Cc2ccccc2[S+]([O-])c2ccc(CN3CCN(CCN4Cc5ccccc5C4)C3=O)cc21,[*]N1CCN([*])C1=O,0.53269804,False
2275,CCCCN(OC)C1COc2c(cccc2C2CC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57379985,False
2276,CCCN(C(C)C)C1COc2c(Cc3cccs3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6001639,False
2277,CCCN(CC(C)=O)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.50803614,False
2278,CCCN(CC(F)(F)c1ccoc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6507924,False
2279,CCCN(CCc1ccccc1)C1COc2c(cccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.79857284,False
2280,CCOc1c(CC)ccc(SCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21281095,False
2281,CN(Cc1ccccn1)CN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.30207905,False
2282,CN1CCCCC(CN2CCN(Cc3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.33545727,False
2283,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2c([O-])cccc2Cl)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35465038,False
2284,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(S(C)(=O)=O)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3281391,False
2285,COc1c(C(=O)NCCN2CCN(c3ccc(N)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.84437186,False
2286,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9366112,False
2287,COc1ccc2[nH]c(N3CCN(CC=CCNC(=O)c4ccccc4O)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4730372,False
2288,COc1ccc2c[nH]cc2c1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42664915,False
2289,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(F)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87232167,False
2290,C[SH](C)(=O)c1cccc(CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.5010723,False
2291,O=C(CCc1ccccc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71409214,False
2292,O=C(CN1CCN(c2ccccc2)C1=O)Nc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.043836962,False
2293,O=C(NCC=CCN1CCN(c2cc(-c3ccsc3)c[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.457088,False
2294,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1coc(-c2ccc(F)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8757177,False
2295,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(-c2ccncc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68581444,False
2296,O=C1N(CC2CCCCNC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.3294834,False
2297,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.74525493,False
2298,O=C1N(CCN2CCCCCCC2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.682683,False
2299,O=C1N(CCN2Cc3ccccc3C(C(F)(F)F)C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.8006176,False
2300,CC1(C)CC2(CN3CCN(c4cccc(Cl)c4)C3=O)CCC1CN(Cc1ccccc1)C2,[*]N1CCN([*])C1=O,0.60211384,False
2301,CC1CC2c3ccccc3CC1N2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7312163,False
2302,CCCN(Cc1ccc(C(C)(C)C)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6509277,False
2303,CCCN1CCCc2ccc(N3CCN(c4cc(Cl)cc(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.4323587,False
2304,CCN(CN1CCN(c2cccc(Cl)c2)C1=O)C(C)C,[*]N1CCN([*])C1=O,0.38689807,False
2305,CCN(Cc1ccccc1)C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8462534,False
2306,CN(Cc1cc2ccccc2s1)CN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.36402684,False
2307,CN1CC(C)(C)C2CCC1(CN1CCN(c3ccccc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.45403525,False
2308,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(F)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.42335927,False
2309,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92750037,False
2310,COc1cccc(N2CCN(CC3CC4CC(C3)C(C)(C)C4)C2=O)c1,[*]N1CCN([*])C1=O,0.5328834,False
2311,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(CCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95018166,False
2312,Cc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38821772,False
2313,Cc1cccc(CN2CCN(c3cccc(C#N)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.44554737,False
2314,O=C(NCC=CCN1CCN(NCCc2ccc(F)cc2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.23969653,False
2315,O=C(NCC=CCN1CCN(c2cc([N+](=O)[O-])ccc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.525353,False
2316,O=C(NCC=CCN1CCN(c2ccc3c(c2)Cc2cccc(O)c2-3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49922776,False
2317,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc2c(OCCF)cccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88701177,False
2318,O=C1N(CC(=O)N2CCc3ccccc32)CCN1c1ccc2c(c1)COO2,[*]N1CCN([*])C1=O,0.15043399,False
2319,O=C1N(CC2CC3CCC(CC3)N2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.53275156,False
2320,O=C1N(CC2CCCC3Cc4ccccc4CCN32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.3939157,False
2321,O=C1N(CC2CCCCN2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.39895442,False
2322,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(O)c1,[*]N1CCN([*])C1=O,0.85272515,True
2323,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.7209455,False
2324,O=C1N(CCN2CCc3cc([N+](=O)[O-])sc3C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.4969075,False
2325,O=C1N(CCN2Cc3ccccc3C2)CCN1C1=C2C=CC=CC=CS2=C1,[*]N1CCN([*])C1=O,0.79721236,False
2326,O=C1N(CCNCC2CCCCC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.32620725,False
2327,O=C1N(CCNCc2cccc(Cl)c2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.30815357,False
2328,O=C1N(CN2CC3CCCCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.68738735,False
2329,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.2685276,False
2330,CC(C)N1CCN(C2CNCCN2c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.28777197,False
2331,CC(F)(CN1CCN(c2cccc(C#N)c2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.4539768,False
2332,CC1(C)CN(CCN2CCN(c3ccc(Cl)cc3)C2=O)C2CCC(C)(C2)C1,[*]N1CCN([*])C1=O,0.55040234,False
2333,CC1Cc2cccc(N3CCN(Cc4cccc(Cl)c4)C3=O)c2O1,[*]N1CCN([*])C1=O,0.4183636,False
2334,CCCCCc1ccc(C)c(OCC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14543836,False
2335,CCCCN(C(C)O)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5314522,False
2336,CCN1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1=O,[*]N1CCN([*])C1=O,0.71478647,False
2337,CCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7468835,False
2338,CN(CN1CCN(c2cccc(F)c2)C1=O)CC12CCCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.5401664,False
2339,CN(Cc1ccccn1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.42122263,False
2340,COc1c(OCCF)cc(Br)cc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96172786,False
2341,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c(Br)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4876938,False
2342,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(F)cc3)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39419302,False
2343,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(N)s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42578557,False
2344,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3)c(F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90079296,False
2345,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Br)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9625948,False
2346,Cc1ccc(CN2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.5903915,False
2347,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccc(-c4cccc(O)n4)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8115694,False
2348,Cc1cccc(N2CCN(c3cccc(Cl)c3)C2=O)n1,[*]N1CCN([*])C1=O,0.25938806,False
2349,O=C(NCC=CCN1CCN(c2cc(-c3ccccc3)[nH]c2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67060536,False
2350,O=C(NCC=CCN1CCN(c2ccc(-c3ncc(O)[nH]3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48682788,False
2351,O=C(NCC=CCN1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55172706,False
2352,O=C(NCC=CCN1CCN(c2ccc3ccccc3c2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65606683,False
2353,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)c(=O)[nH]c1ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8453491,False
2354,O=C(NCC=CCN1CCN(c2cccc3cccc(=O)c-3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43996248,False
2355,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccc(O)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9263648,False
2356,O=C1CCc2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2N1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4510447,False
2357,O=C1N(CCN2CCCOCC3CCCC32)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.27130407,False
2358,O=C1N(CCN2CCNCC2)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.595818,False
2359,O=C1N(CCN2CCc3cc(Cl)ccc32)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.52664775,False
2360,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1sccc1Cl,[*]N1CCN([*])C1=O,0.8252356,False
2361,O=C1N(Cc2cccc(Cl)c2)CCN1CC1CCC2Cc3ccccc3CCN2C1,[*]N1CCN([*])C1=O,0.49722078,False
2362,O=C1N(Cc2ccccc2)CCN1C1Cc2ccc(Cl)cc2C1,[*]N1CCN([*])C1=O,0.5598026,False
2363,CC(C)Oc1cccc(N2CCN(CC3c4ccccc4CN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.56295717,False
2364,CC(C)Oc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36927557,False
2365,CC(C)c1ccc(Cl)c(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8172694,False
2366,CC1CC(O)CN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.62696135,False
2367,CCCCN(O)C1COc2c(Cc3cnoc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45750198,False
2368,CCCOc1c(OC)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22739108,False
2369,CCCc1cccc2c1OCC(N(CC)Cc1ccc(OS(C)(=O)=O)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.49175048,False
2370,CCCc1cccc2c1OCC(N(CCC)CCc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.78443086,False
2371,CCN(C(C)C)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47126326,False
2372,CCNCCN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.48523903,False
2373,CCOc1c(C)ccc([SH](C)[O-])c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15209317,False
2374,CCc1ccc(OC)c(OS)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.26431096,False
2375,CN(CCN1CCN(c2cccc(OC(F)(F)F)c2)C1=O)Cc1ccccc1,[*]N1CCN([*])C1=O,0.60860115,False
2376,CNCOC1CCCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.37010425,False
2377,COCC1CC2(C)CCC1CN(CCN1CCN(c3ccccc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.5347481,False
2378,COc1c(Br)ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.962475,False
2379,COc1c(C(=O)NCCN2CCN(C(F)(F)F)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.43940142,False
2380,COc1ccc2c(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)[nH]ccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8481576,False
2381,COc1cccc(N2CCN(C3CCNCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.28100193,False
2382,C[N+](=O)c1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7699975,False
2383,O=C(NCC=CCN1CCN(c2c(F)cccc2Cl)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4617567,False
2384,O=C(NCC=CCN1CCN(c2cc(-c3ccc(F)cc3)co2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3822574,False
2385,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cccc(OCCF)c2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8512243,False
2386,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Oc2ccc(OCCF)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9234311,False
2387,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(C#Cc2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9103118,False
2388,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(-c2cccc(O)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77220404,False
2389,O=C1N(CC2CCCCN(Cc3cccc(Cl)c3)C2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.33349034,False
2390,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1nc2ccccc2s1,[*]N1CCN([*])C1=O,0.8522859,False
2391,O=C1N(CNCc2cc3ccccc3s2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.306736,False
2392,O=C1N(COCCN2Cc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8120453,False
2393,O=C1N(Cc2ccc(Cl)cc2)CCN1Cc1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.33655813,False
2394,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1Cc2ccccc2N1,[*]N1CCN([*])C1=O,0.39047435,False
2395,O=C1N(c2cccc(Cl)c2)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.23647079,False
2396,CC(=O)N1CCCc2ccc(N3CCN(c4cccc(C(F)(F)F)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.1379834,False
2397,CC(F)C1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.9302519,False
2398,CC1(C)CCN(CCN2CCN(c3cccc(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8281286,False
2399,CC1=CC=CC=C(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)C(=O)C=C1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36325723,False
2400,CC1CCCCN1CCN1CCN(c2cccc(Cl)c2Cl)C1=O,[*]N1CCN([*])C1=O,0.42389402,False
2401,CCCCN(CC)C1COc2c(cccc2C(C)(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57554495,False
2402,CCCCN(CCC)C1COc2c(cccc2-c2ccccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5803838,False
2403,CCCCN(O)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5262486,False
2404,CCCN(C(=O)CC)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.338486,False
2405,CCCN(Cc1ccc(C)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5693182,False
2406,CCN(C)CCN1CCN(c2cccc(C(C)C)c2)C1=O,[*]N1CCN([*])C1=O,0.6650438,False
2407,CCN1CCCC1CNC(=O)c1c(C)ccc(S(=O)(=O)OC)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.64395845,False
2408,CCOc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.871455,False
2409,COc1c(C(=O)NCCN2CCN(c3cccc([N+](C)[O-])c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8265502,False
2410,COc1cccc(CCN2CCCCC2N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.4661762,False
2411,COc1cccc(N2CCN(CC=CCNC(=O)c3ccc(Cl)cc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48037946,False
2412,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4ccc(OCCF)cc4)CC3)oc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39207023,False
2413,COc1ccccc1N1CCN(CC=CCNC(=O)c2c(Cl)cc(Br)cc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83187044,False
2414,Cc1ccc(N2CCN(C3Cc4ccccc4C3)C2=O)cc1C,[*]N1CCN([*])C1=O,0.3820596,False
2415,Cc1ccc(N2CCN(CC3COCCN3c3ccccc3)C2=O)cc1,[*]N1CCN([*])C1=O,0.23756836,False
2416,N#CC1(CN2CCN(Cc3ccc(Cl)cc3)C2=O)Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.4826074,False
2417,O=C(NCC=CCN1CCN(c2ccc([N+](=O)F)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.447317,False
2418,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2cccc(O)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92705256,False
2419,O=C(NCC=CCN1CCN(c2ncccc2O)CC1)[N+](=O)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43270868,False
2420,O=C1N(CCN2CCCC3COCCCC3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6239518,False
2421,O=C1N(CCN2CCCCCCC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.6747771,False
2422,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.69777185,False
2423,O=C1N(CCN2Cc3ccccc3C2)CCN1CC1CCCCN1,[*]N1CCN([*])C1=O,0.7020978,False
2424,O=C1N(CCNCc2cc3ccccc3o2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.41861108,False
2425,O=C1N(Cc2cccc(Cl)c2)CCN1CC1CCOOC1,[*]N1CCN([*])C1=O,0.3375341,False
2426,O=C1N(c2cccc(Cl)c2)CCN1C1CCCc2sccc2C1,[*]N1CCN([*])C1=O,0.39863425,False
2427,O=C1N(c2cccc(OCC3CCCNC3)c2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.3488652,False
2428,C#Cc1ccc(-c2cccc3c2OCC(N(CCC)CCC)C3)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.7967573,False
2429,CC1(C)CCNc2cccc(N3CCN(Cc4cccc(Cl)c4)C3=O)c21,[*]N1CCN([*])C1=O,0.35784942,False
2430,CC12CC(CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1)C(C)(C)C2,[*]N1CCN([*])C1=O,0.84935087,False
2431,CCCCN(CCC)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.74296606,False
2432,CCCc1cccc2c1OCC(N(CO)CN1CCC3(CCNC(=O)C3)CC1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.38889256,False
2433,CCN1CCCC1CNC(=O)c1c(CCF)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9279506,False
2434,CCOc1c(C)ccc(SS)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1588284,False
2435,CCc1ccc(C)c(C(=O)NCC2CCCN2SO)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14393921,False
2436,CN(Cc1ccsc1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.49221867,False
2437,COc1ccc(-c2cccc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8331122,False
2438,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40042248,False
2439,COc1cccc(C2CCCN(CCN3CCN(c4ccc5sccc5c4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.7238658,False
2440,COc1ccccc1C(=O)NCC=CCN1CCN(c2c[nH]c(-c3ccc(Cl)cc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45844573,False
2441,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccncn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44594768,False
2442,COc1ccccc1N1CCN(CC=CCNC(=O)c2ncccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92373484,False
2443,Cc1cccc(C(=O)NCC=CCN2CCN(c3cc(F)ccc3OCCF)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5474582,False
2444,Cc1cccc(CN2CCN(C3CCOOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.31180984,False
2445,Cc1ncccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70686305,False
2446,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCCCC1,[*]N1CCN([*])C1=O,0.15499523,False
2447,O=C(NCC=CCN1CCN(c2c[nH]c3c(OCCF)cccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6281211,False
2448,O=C(NCC=CCN1CCN(c2ccc[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42631426,False
2449,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1Nc2ccccc2-c2ccccc21,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8061245,False
2450,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)[N+](=O)c1ccc([N+](=O)[O-])cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8736373,False
2451,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c(-c2ccc(F)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88203716,False
2452,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccc(Cl)cc2)co1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8298073,False
2453,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ncco2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9087519,False
2454,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccnc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8972486,False
2455,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1c(Cl)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5436431,False
2456,O=C1N(CCN2C3CCCC(CC3)C2c2ccccc2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.50598794,False
2457,O=C1N(CCN2CC3CCCC(CCC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8837405,False
2458,O=C1N(CCN2CCN(Cc3coc4ccccc34)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.79686,False
2459,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(F)cc(F)c1,[*]N1CCN([*])C1=O,0.93254554,False
2460,O=C1N(c2ccc(Cl)cc2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.32549918,False
2461,C=CCOc1c(C)ccc(OCCC)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16644457,False
2462,C=CCc1ccc(OC)c(OCCCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25894618,False
2463,CC(C)N1CCN(CCN2CCN(c3ccc4sccc4c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.64173037,False
2464,CC1CCN(C)C(N2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.5499028,False
2465,CCCN1CCCC1CNC(=O)c1c(C)ccc(O)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.40543306,False
2466,CCCc1cccc2c1OCC(N(CCC)Oc1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.7298155,False
2467,CC[N+]([O-])(CN1CCN(c2cccc(Cl)c2)C1=O)C(C)c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.37274227,False
2468,CCc1ccc(C)c(C(=O)NCC2CCCN2O)c1OCCCCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22951704,False
2469,CCc1cccc2c1OCC(N(CC)CC(=O)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.26453274,False
2470,CN(C)C(CN1CCN(CC2CCCCCN2C)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.40262708,False
2471,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2[N+]([O-])[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3726156,False
2472,COc1c(C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.887695,False
2473,COc1cc(OCCF)ccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6411243,False
2474,COc1cccc(-c2ccccc2N2CCN(CC=CCNC(=O)c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7024896,False
2475,COc1cccc(N2CCN(CCN3CC4CCCCC3Cc3ccccc3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.62016314,False
2476,COc1cccc2c(Br)cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8861667,False
2477,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3c(O)cccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85972863,False
2478,Cc1cccc(N2CCN(CCCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7835573,False
2479,N#Cc1ccc2c(c1)CNCC2CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.48786885,False
2480,O=C(C=CCNC(=O)c1ccncc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8051379,False
2481,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4393932,False
2482,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)-c1ccccc1OC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80736834,False
2483,O=C(NCC=CCN1CCN(c2cccc3c2C=CC=CC3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67353237,False
2484,O=C(NCC=CCN1CCN(c2ccccc2-c2cccc(O)n2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7408334,False
2485,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(CF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9639876,False
2486,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cscc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76885873,False
2487,O=C(NCC=CCN1CCN(c2cscc2-c2ccc(Cl)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70172894,False
2488,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1cccc(F)c1,[*]N1CCN([*])C1=O,0.7254807,False
2489,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(O)c1,[*]N1CCN([*])C1=O,0.70127124,False
2490,O=C1N(CCN2Cc3ccccc3C2c2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8023563,False
2491,O=C1N(CCNC2Cc3ccccc3C2)CCN1Cc1cccc(F)c1,[*]N1CCN([*])C1=O,0.48793602,False
2492,O=C1N(CN2CCCC2CO)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4884047,False
2493,CC(C)N1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.18406923,False
2494,CCCN(CCC)C1COc2c(cccc2-c2ccc(C(C)=O)s2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5774808,False
2495,CCCN(CCC)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.88174576,True
2496,CCCN(CCC1CCCC(=O)C1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6076957,False
2497,CCCN(CCOC)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.78109455,False
2498,CCCc1cccc2c1OCC(N(C)Cc1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6142991,False
2499,CCCc1cccc2c1OCC(N(CCC)CN1C=C(C(F)(F)F)C(=O)CC1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.51705265,False
2500,CCN(CBr)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5870525,False
2501,CCc1ccc(OC)c(OSO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24203454,False
2502,CN1CCN(CCN2CCN(c3cccc(O)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.78738534,False
2503,CNN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(C)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3464116,False
2504,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(S(=O)(=O)O)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.32217637,False
2505,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2N)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.44393456,False
2506,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39113963,False
2507,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4c(Cl)ccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42251292,False
2508,COc1cccc(CCN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.4429503,False
2509,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2-c2cccc(O)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84738624,False
2510,Cc1ccc(N2CCN(CC3CCc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.4981912,False
2511,Cc1cccc(CN2CCCCC2N2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.26998273,False
2512,Cc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1Cl,[*]N1CCN([*])C1=O,0.7794476,False
2513,Cc1cccnc1-c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3833369,False
2514,N#Cc1ccc2c(c1)CCNC2CN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.616508,False
2515,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1cccc(Br)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.511421,False
2516,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cscc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95007557,False
2517,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCF)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8988119,False
2518,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1cccc(C(F)(F)F)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5240055,False
2519,O=C(NCC=CCN1CCN(c2ncccc2OCCF)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4607991,False
2520,O=C1N(CCN2C3CCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.85436976,False
2521,O=C1N(CCN2CC3CCC(Cc4ccccc4C3)C2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.5961253,False
2522,O=C1N(CCNCC2CCCCC2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.2562879,False
2523,O=C1N(Cc2cccs2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.3311122,False
2524,O=C1N(c2ccc(F)c(Cl)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.28758502,False
2525,O=C1N(c2cccc(C(F)(F)F)c2)CCN1c1ccc2c(c1)C(O)CCCC2,[*]N1CCN([*])C1=O,0.38104245,False
2526,O=C1N(c2cccc(Cl)c2)CCN1C1CCCN(Cc2cccc(Cl)c2)C1,[*]N1CCN([*])C1=O,0.4554437,False
2527,CC(C)CN(CCCN1C(=O)CC(C)(C)CC1=O)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4706928,False
2528,CC1(C)C2CCC1(CNCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.5789012,False
2529,CCCN(CCC)C1COc2c(cccc2C(=O)c2cccnc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6106913,False
2530,CCCc1ccc(OC)c(C(=O)NCC2CCCN2S)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2498438,False
2531,CCN(Cc1ccncc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51892996,False
2532,CCN1CCCCCC1CN1CCN(c2cccc(OC)c2)C1=O,[*]N1CCN([*])C1=O,0.45147413,False
2533,CN(CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O)Cc1csc2ccccc12,[*]N1CCN([*])C1=O,0.61787057,False
2534,COc1ccc(-c2ccccc2C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8983609,False
2535,COc1ccc(N)cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5570949,False
2536,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42754245,False
2537,COc1cccc(CCN2CCN(c3cccc(C(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.5524899,False
2538,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Br)cc2N)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51605415,False
2539,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2Cc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43385285,False
2540,COc1ccccc1C1CNCCC(N2CCN(c3cccc(F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.2572159,False
2541,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(F)cc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94951224,False
2542,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93539006,True
2543,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3cc(F)ccc3n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8976112,False
2544,Cc1ccc(N2CCN(CCN3CCCC(C)(C)C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.48428673,False
2545,Cc1cccc(CNC(C)N2CCN(c3ccccn3)C2=O)c1,[*]N1CCN([*])C1=O,0.172225,False
2546,N#Cc1c(C(=O)NCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.64951617,False
2547,O=C(NCC=CCN1CCN(c2ccc(-c3cccs3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47027665,False
2548,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NC(=O)c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90870416,False
2549,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccccn2)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8674218,False
2550,O=C(NCC=CCN1CCN(c2cccc3cc(O)sc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7217016,False
2551,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1coc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7693926,False
2552,O=C1N(CC2CCCCN2)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.46426955,False
2553,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccc(F)c(F)c1,[*]N1CCN([*])C1=O,0.8187378,False
2554,O=C1N(CCN2CCCC3=CC=C(C=CS3)C2)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.6055763,False
2555,O=C1N(CCN2CCc3ccsc3C2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.47783038,False
2556,O=C1N(CCNCc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5107718,False
2557,O=C1N(CNCc2cccs2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.2877424,False
2558,O=C1N(Cc2csc3ccccc23)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.47667462,False
2559,CC(C)C12CCC(C1)N(CCO)C(N1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.36215168,False
2560,CC(CN1CCN(c2cccc(Cl)c2)C1=O)c1ccccc1,[*]N1CCN([*])C1=O,0.42207414,False
2561,CC1(C)C2CCCC1(CN1CCN(c3ccccc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.39841834,False
2562,CC12CCC(CN(CCN3CCN(c4cccc(F)c4)C3=O)C1)C(C)(C)C2,[*]N1CCN([*])C1=O,0.74332786,False
2563,CCCCCN(c1cccs1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.58189005,False
2564,CCCN(C(C)=O)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51436764,False
2565,CCN(CO)C1COc2c(cccc2C2CCCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52719307,False
2566,CN(CCN1CCN(C2COc3ccccc3C2)C1=O)CC12CCCC(C)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.5709194,False
2567,CN1CCCC(N2CCN(C3CCCCC3)C2=O)C1,[*]N1CCN([*])C1=O,0.31045303,False
2568,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc3c2OCO3)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3650712,False
2569,COc1cc(Br)cc(N2CCN(CC=CCNC(=O)c3ccccc3F)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5229282,False
2570,COc1ccc(N2CCN(CC=CCNC(=O)c3cc(OC)ccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34887046,False
2571,COc1ccc(N2CCN(CC=CCNC(=O)c3cc4ccccc4o3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38702807,False
2572,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c(N)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5368743,False
2573,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c(N)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5239609,False
2574,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37940934,False
2575,COc1cccc(CCN2CCN(c3ccc4ccccc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.48760653,False
2576,COc1cccc(CN2CCN(CN3CCCc4sccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.47707567,False
2577,COc1cccc(N2CCN(CCCC3CC4CCC4(CN=O)C3(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.4334808,False
2578,COc1cncc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9338009,False
2579,C[N+](=O)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8503955,False
2580,C[N+](=O)c1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65775204,False
2581,Cc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4937148,False
2582,Cc1ccc(CN2CCN(Cc3cccc(Cl)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.2233787,False
2583,Cc1cccc(N2CCN(CN3CCN(Cc4csc5ccccc45)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.42612353,False
2584,Cc1ccccc1N1CCN(CN2CCCC(COC(C)C)C2)C1=O,[*]N1CCN([*])C1=O,0.3460511,False
2585,O=C(CCF)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.976278,False
2586,O=C(NCC=CCN1CCN(C2CCc3ccc(O)cc3O2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39390996,False
2587,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1[nH]c(O)cc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9228834,False
2588,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(O)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96221495,True
2589,O=C1N(CC2CCNCC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.60014623,False
2590,O=C1N(c2cc(Cl)ccc2Cl)CCN1C1CCCCNC1,[*]N1CCN([*])C1=O,0.21657962,False
2591,O=C1N(c2cccc(Cl)c2)CCN1c1ccc2c(c1)Sc1ccccc1C2,[*]N1CCN([*])C1=O,0.34204155,False
2592,CC(C)N1CCN(CCN2CCN(CC3CCCCC3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5356748,False
2593,CC(C)c1ccc(N2CCN(CCCN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.6630039,False
2594,CC1(C)CC(N2CCN(c3ccc4c(c3)OCO4)C2=O)CN(Cc2ccccc2)C1,[*]N1CCN([*])C1=O,0.37866864,False
2595,CC1(C)CC2CCC(CNCN3CCN(c4ccccc4)C3=O)(CC2)C1,[*]N1CCN([*])C1=O,0.34140867,False
2596,CCCCc1ccc(OCC)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25725392,False
2597,CCCN(C(C)C)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6332455,False
2598,CCCN(CCC)C1COc2c(cccc2-c2ccc(Br)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.847912,False
2599,CCCN(Cc1ccoc1)C1COc2c(cccc2C2CCCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.65572506,False
2600,CCCN(O)C1COc2c(Cc3cccs3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56719553,False
2601,CCN(COC)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5628197,False
2602,CCOOc1c(SC)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.52835995,False
2603,CCOc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.65706134,False
2604,CN(CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O)Cc1ccccn1,[*]N1CCN([*])C1=O,0.5044188,False
2605,CN(CCN1CCN(c2ccc(Cl)cc2)C1=O)Cc1cc2ccccc2o1,[*]N1CCN([*])C1=O,0.514679,False
2606,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37088263,False
2607,COc1cccc(Cc2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39831468,False
2608,COc1cccc(N2CCN(CCN3CCCC(O)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.69876707,False
2609,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3cc(O)ccc3s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88465995,False
2610,Cc1cccc(N2CCN(CCN3C4CCCC3CCC4)C2=O)c1,[*]N1CCN([*])C1=O,0.5909722,False
2611,Cc1cccc(N2CCN(c3ccc4ccsc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.10395905,False
2612,N#Cc1cc(N2CCN(CC3CCCCC3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.44885233,False
2613,O=C(CNC(=O)c1ccc(Cl)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8066311,False
2614,O=C(NCC=CCN1CCN(c2c(Cl)oc3ccccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42227346,False
2615,O=C(NCC=CCN1CCN(c2ccc(O)c3ccc(O)cc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.61377805,False
2616,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(NO)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8350504,False
2617,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1-c1cccc(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83449084,False
2618,O=C(NCC=CCN1CCN(c2nccc3ccc(O)cc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39536676,False
2619,O=C1N(CCN2CCC3CCC2Cc2ccccc2C3)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.6876648,False
2620,O=C1N(CCN2CCCc3sccc3C2)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.6157616,False
2621,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(C(F)(F)F)ccc1F,[*]N1CCN([*])C1=O,0.84702426,False
2622,O=C1N(COCc2ccc3sccc3c2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.259047,False
2623,O=C1N(Cc2cccc(Cl)c2)CCN1CC12CCC(CC1)CC2,[*]N1CCN([*])C1=O,0.37442756,False
2624,CC(=O)N(CO)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.24288419,False
2625,CC(C)N1CCN(CCN2CCN(c3cccc(F)c3C#N)C2=O)CC1,[*]N1CCN([*])C1=O,0.754276,False
2626,CC1(C)C2CCC1(CNCCN1CCN(c3ccc(Cl)c(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.50775194,False
2627,CC1CCC(CN2CCN(Cc3ccccc3)C2=O)NC1,[*]N1CCN([*])C1=O,0.4482427,False
2628,CCCN(C(C)C)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.68368524,False
2629,CCCOc1c(O)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27592587,False
2630,CCOc1c(OC)ccc(C)c1C(=O)NCC1CCCN1SC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20618472,False
2631,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1cccc2sccc12,[*]N1CCN([*])C1=O,0.7489238,False
2632,CN(CCN1CCN(c2cccc(O)c2)C1=O)Cc1cccs1,[*]N1CCN([*])C1=O,0.62595046,False
2633,COC(C1CCNCC1)N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.38669908,False
2634,COc1c(O)cccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6909021,False
2635,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)ccc1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41551813,False
2636,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3C)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32958612,False
2637,COc1cccc(F)c1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7784446,False
2638,COc1cccc(N2CCN(CN3CCCCC3Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.39125067,False
2639,Cc1cc(OCCF)ccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75497586,False
2640,Cc1ccc(C)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83693594,False
2641,Cc1ccc(N2CCN(CC(C)N3CCCCCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.23505299,False
2642,Cc1ccc2c(c1)CN(CCN1CCN(c3ccccc3Cl)C1=O)CC2,[*]N1CCN([*])C1=O,0.5006921,False
2643,Cc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44937304,False
2644,Nc1cccc(N2CCN(CC=CCNC(=O)c3cccc(F)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50211895,False
2645,Nc1sc2ccccc2c1N1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.3050487,False
2646,O=C(NCC=CCN1CCN(c2c(O)[nH]c3ccccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3573151,False
2647,O=C(NCC=CCN1CCN(c2ccc(-c3cccs3)cc2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44873646,False
2648,O=C(NCC=CCN1CCN(c2ccc(O)cc2F)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5405286,False
2649,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89026856,False
2650,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1coc2ccccc2c1=O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7181235,False
2651,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9159391,False
2652,O=C1N(CC(=O)N2CCc3ccc(Cl)cc32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.24154632,False
2653,O=C1N(CC2CCCNC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.4283642,False
2654,O=C1N(CCCN2CC3CCCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.59503347,False
2655,O=C1N(CCc2cccc(Cl)c2)CCN1C1CCOC1,[*]N1CCN([*])C1=O,0.3582279,False
2656,O=C1N(CCc2cccc(Cl)c2)CCN1CCN1CCC(C(F)(F)F)CC1,[*]N1CCN([*])C1=O,0.8304817,False
2657,O=C1N(c2ccc3c(c2)CCN3Cc2ccccc2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.34683564,False
2658,O=C1N(c2cccc(Cl)c2)CCN1C1CC(C(F)(F)F)CCN1CCO,[*]N1CCN([*])C1=O,0.46997088,False
2659,O=C1N(c2ccccc2Cl)CCN1c1ccccc1OC(F)(F)F,[*]N1CCN([*])C1=O,0.21249042,False
2660,CC(c1ccccc1)N1CCCCC(CN2CCN(Cc3ccco3)C2=O)C1,[*]N1CCN([*])C1=O,0.24552235,False
2661,CC1(C)CC2(C)CC(CN3CCN(Cc4cccc(Cl)c4)C3=O)(C1)C2,[*]N1CCN([*])C1=O,0.24074642,False
2662,CCCCN(CC)C1COc2c(cccc2-c2ccc(OC)cc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46567646,False
2663,CCCCN(CC)C1COc2c(cccc2C(=O)c2cc3ccccc3o2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.32673088,False
2664,CCCCOc1c(Cl)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.28490266,False
2665,CCCN(CCC)C1COc2c(cccc2C(=O)c2c[nH]c(C(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.64439815,False
2666,CCCN(Cc1ccc(C(=O)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47465473,False
2667,CCCc1cccc2c1OCC(N(C)Cc1ccco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.42474642,False
2668,CNCc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9493315,False
2669,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3)CC2)c(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37745732,False
2670,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc3c2-c2ccccc2CC3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6487024,False
2671,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c3cccc(OC)c23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9633079,False
2672,COc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2O[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.89546245,False
2673,COc1ccccc2cc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4582084,False
2674,Cc1ccc(F)c(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74167585,False
2675,Cc1cccc(-c2c(C(=O)NCCN3CCN(C)CC3)cc(Br)c3ccccc23)c1C,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.30920675,False
2676,Cc1cccc(N2CCN(CCN3CCCC(C)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7445372,False
2677,Cc1cccc(N2CCN(CCN3CCCc4sccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.68590146,False
2678,N#Cc1cccc(N2CCN(C3CCN(CCc4ccccc4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.86339456,False
2679,O=C(C=Cc1ccncc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7398256,False
2680,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1cccc(OCCF)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5201998,False
2681,O=C(NCC=CCN1CCN(c2ccc(CCF)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49139082,False
2682,O=C(NCC=CCN1CCN(c2ccc(CN3CCOc4cc(O)ccc43)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42308766,False
2683,O=C(NCC=CCN1CCN(c2cccc(-c3ccncc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47554934,False
2684,O=C1N(CC2CCCCC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.4178194,False
2685,O=C1N(CCN2CCC3Cc4ccccc4CN32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.718773,False
2686,O=C1N(CCN2CCCC(C(F)(F)F)CC2)CCN1c1ccc(C(F)(F)F)cc1,[*]N1CCN([*])C1=O,0.89017814,False
2687,O=C1N(CCN2CCCC3CCCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.79722774,False
2688,O=C1N(CCNC(c2ccccc2)c2ccccn2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.337059,False
2689,O=C1N(Cc2ccccc2)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.37173644,False
2690,O=C1N(c2cccc(Cl)c2F)CCN1C1NCC2CCc3ccccc3CC1CC2,[*]N1CCN([*])C1=O,0.46125218,False
2691,CC1(C)CC2CCC(C)(C1)C1CC(N3CCN(c4cccc(Cl)c4)C3=O)CCN1C2,[*]N1CCN([*])C1=O,0.3494282,False
2692,CC1CCCN(CCN2CCN(Cc3cc(Cl)ccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.64257157,False
2693,CCCN(CCC)C1COc2c(cccc2-c2ccc(C(C)(C)C)cn2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7365505,False
2694,CCCN(c1ccoc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.58037615,False
2695,CCN(CC(=O)OC)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.24742799,False
2696,CCN(CC(C)C)C1COc2c(cccc2-c2cc(C(F)(F)F)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46377888,False
2697,CN1CCCCC1CN1CCN(Cc2cccnc2)C1=O,[*]N1CCN([*])C1=O,0.41858056,False
2698,COCC1CCN(CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.66444993,False
2699,COc1c(Cl)cccc1-c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.40688398,False
2700,COc1ccc(CNC(=O)C(=O)NCC=CCN2CCN(c3ccccn3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38112864,False
2701,COc1cccc(CN2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.81645125,False
2702,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3cc(O)ccc3n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35993394,False
2703,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8088578,False
2704,C[N+](C)(C)CCN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.41205508,False
2705,Cc1cccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)n1,[*]N1CCN([*])C1=O,0.7563982,False
2706,N#Cc1cccc(N2CCN(CCN3CCCc4ccsc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.76845175,False
2707,O=C(NCC=CCN1CCN(NC2CCc3ccccc3-c3ccccc32)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4634568,False
2708,O=C(NCC=CCN1CCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4185092,False
2709,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1)c1ccc(-c2ccsc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5611023,False
2710,O=C(NCC=CCN1CCN(c2ccc3ccccc3c2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66580456,False
2711,O=C(NCC=CCN1CCN(c2cccc(-c3ccsc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46372157,False
2712,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c(-c2ccc(Cl)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88110006,False
2713,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc2[nH]ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8829999,False
2714,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(-c2ccccc2)cc1,[*]N1CCN([*])C1=O,0.8937598,False
2715,O=C1N(CNCC2CCCCC2)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.22422394,False
2716,O=C1N(CO)CCN1CCN1CCC(C(F)(F)F)CC1,[*]N1CCN([*])C1=O,0.6604419,False
2717,O=C1N(Cc2ccc(Cl)cc2)CCN1CN1CCCCC1C(F)(F)F,[*]N1CCN([*])C1=O,0.3159497,False
2718,O=C1N(c2cccc(Cl)c2)CCN1c1ccc2c(c1)CNCCC2,[*]N1CCN([*])C1=O,0.3928505,False
2719,O=Cc1c[nH]c(N2CCN(CC=CCNC(=O)c3ccc(OCCF)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39072323,False
2720,C=CCN(CCC)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6151754,False
2721,CC1(C)CCN(CCN2CCN(c3ccc(C(C)(C)C)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.71685773,False
2722,CC1CCNC(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.65636307,False
2723,CC1Cc2cccc3c2C(C1C)N(CCN1CCN(c2cccc(C#N)c2)C1=O)CC3,[*]N1CCN([*])C1=O,0.597163,False
2724,CCCCN(Cc1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52329344,False
2725,CCCc1cccc2c1OCC(N(CO)CCN1C(=O)CC3(CCCC3)CC1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.473331,False
2726,CCc1cccc2c1OCC(N(Cc1ccccc1)C(C)CC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.44778123,False
2727,CN(CCN1CCN(c2ccccc2)C1=O)Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.59819674,False
2728,COc1cc(F)ccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.638647,False
2729,COc1ccc2[nH]cc(N3CCN(CC=CCNC(=O)c4sccc4OCCF)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40964323,False
2730,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4OC)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65065694,False
2731,COc1cccc(C2CCCN(CCN3CCN(c4cccc(C(F)(F)F)c4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.85198647,False
2732,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(F)cc3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3744382,False
2733,COc1ccccc1N1CCN(CC=CCNC(=O)c2csc(-c3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88722754,False
2734,Cc1ccccc1CN1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.66310513,False
2735,Cn1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6419334,False
2736,N#Cc1cccc(N2CCN(CC3CNCCO3)C2=O)c1,[*]N1CCN([*])C1=O,0.42727548,False
2737,O=C(Cc1ccc(-c2ccc(F)cc2)cn1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7803909,False
2738,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1cccc([N+](=O)[O-])c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39372125,False
2739,O=C(NCC=CCN1CCN(c2cc(O)cc(F)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49439076,False
2740,O=C(NCC=CCN1CCN(c2ccc3ccccc3n2)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48435152,False
2741,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c(-c2ccc(Cl)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8944556,False
2742,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1C=Cc1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7521557,False
2743,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1c(Cl)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69708073,False
2744,O=C1N(CC2NCCc3ccsc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5809162,False
2745,O=C1N(CCCN2Cc3ccccc3C2)CCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.74197906,False
2746,O=C1N(CCN2CC3CCCC2Cc2ccccc2C3)CCN1c1cccc(O)c1,[*]N1CCN([*])C1=O,0.5613421,False
2747,O=C1N(CCN2CCCC(c3ccccc3)CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.8558146,False
2748,O=C1N(CCN2CCCCc3sccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7243705,False
2749,O=C1N(CCN2CCc3ccccc3CC23CCCCC3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.47873843,False
2750,O=C1N(Cc2cc(Cl)ccc2F)CCN1CC1CCCCC1,[*]N1CCN([*])C1=O,0.30921122,False
2751,O=C1N(Cc2cccc(Cl)c2)CCN1C1CCC(NCc2cccnc2)CC1,[*]N1CCN([*])C1=O,0.30047652,False
2752,CC(=O)c1cccc(N2CCN(CCN3CCN(C(C)C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.630527,False
2753,CC(C)N1CCN(CCN2CCN(C)C2=O)CC1,[*]N1CCN([*])C1=O,0.5683986,False
2754,CC(C)c1cccc(N2CCN(CCCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.76084614,False
2755,CC1(C)CC2CCN1CC(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.5516057,False
2756,CCCCN(O)C1COc2c(Cc3ccc(OC)cc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45629558,False
2757,CCCN(CCC)C1COc2c(cccc2-c2ccc(OCC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8257303,False
2758,CCCN(CCC)C1COc2c(cccc2C(=O)c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.68336123,False
2759,CCCN(CO)C1COc2c(CCCN3C(=O)CC4(CCCCC4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.546023,False
2760,CCCN(Cc1ccccc1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.733745,False
2761,CN(Cc1csc2ccccc12)CN1CCN(c2cccnc2)C1=O,[*]N1CCN([*])C1=O,0.33093643,False
2762,CN1CC2CCC1CC(N1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.53418195,False
2763,COC(=O)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.59260124,False
2764,COCc1cccc(N2CCN(Cc3cccc4ccccc34)C2=O)c1,[*]N1CCN([*])C1=O,0.36022213,False
2765,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2C(F)(F)F)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.43896058,False
2766,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(F)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71566373,False
2767,COc1cccc(N2CCN(Cc3ccccn3)C2=O)c1,[*]N1CCN([*])C1=O,0.30182275,False
2768,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(C(=O)NCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9374013,False
2769,Cc1cccc(-c2c(C(=O)NCCN3CCN(O)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3562249,False
2770,Nc1ccc(F)c(N2CCN(CC=CCNC(=O)c3ccccc3N)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5770187,False
2771,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(OCCF)cc3)[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43742472,False
2772,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1csc(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48433352,False
2773,O=C(NCC=CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48620728,False
2774,O=C(NCC=CCN1CCN(c2ccc3cc(O)ccc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46099633,False
2775,O=C(NCC=CCN1CCN(c2ccc3ccccc3c2)CC1)c1cccc(C(F)(F)F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47163975,False
2776,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C(=O)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88403326,False
2777,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccccc2)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92491007,False
2778,O=C(NCC=CCN1CCN(c2cccn3cc(O)cc23)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67766273,False
2779,O=C1N(CCCOC2CCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7187872,False
2780,O=C1N(CCN2CC3CCCC(CC3)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.61720806,False
2781,O=C1N(CCN2CC3CCCC2Cc2ccccc2C3)CCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5082079,False
2782,O=C1N(CCN2CCOCC2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.33801904,False
2783,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(F)cc1Cl,[*]N1CCN([*])C1=O,0.8443176,False
2784,O=C1N(c2ccccc2)CCN1c1ccccc1OCC1CCCCC1,[*]N1CCN([*])C1=O,0.27157983,False
2785,C=CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1CCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.3073952,False
2786,CC1(C)CNCC(N2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.4036447,False
2787,CC1Cc2ccccc2-c2c1cccc2N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72644216,False
2788,CCCCOc1c(C)ccc(OC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15768185,False
2789,CCCN(Br)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.58607274,False
2790,CCCN(CS(=O)(=O)c1cccc(OC)c1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4314224,False
2791,CCCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.51069534,False
2792,CCOc1c(C(=O)NCCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.779735,False
2793,CCOc1c(C)ccc(SC)c1C(=O)NCC1CCCN1CO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.40019006,False
2794,CCc1ccc(C)c(OO)c1C(=O)NCC1CCCN1SC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20550184,False
2795,CCc1cccc2c1OCC(N(C)CC(=O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.2847372,False
2796,CN(C)Cc1cccc(N2CCN(CC3COCO3)C2=O)c1,[*]N1CCN([*])C1=O,0.42279345,False
2797,COc1c(C)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3)s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6168533,False
2798,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c2[nH]ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5159977,False
2799,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34824798,False
2800,COc1ccc(F)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89773,False
2801,COc1ccc2ccc(O)nc2c1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3664656,False
2802,COc1cccc(C2CCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.9199673,False
2803,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3sccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9129534,False
2804,Cc1ccccc1N1CCN(CCN2CCC3(CCc4ccccc4C3)CC2)C1=O,[*]N1CCN([*])C1=O,0.6643546,False
2805,Cc1ccnc(CN(C)CCN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.47974995,False
2806,O=C(NCC=CCN1CCN(c2ccc(-c3ccncc3)cc2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43286,False
2807,O=C(NCC=CCN1CCN(c2ccc(O)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5089341,False
2808,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(F)ccc1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9617468,False
2809,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(O)c2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93484324,False
2810,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccsc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84196675,False
2811,O=C1N(CCN2CC3CCC2COc2ccccc2C3)CCN1c1cc(Cl)cs1,[*]N1CCN([*])C1=O,0.49644533,False
2812,O=C1N(CCN2CCCC(C(F)(F)F)C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.7778077,False
2813,O=C1N(CN2C3CCCCC2CCC3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.34440327,False
2814,O=C1N(CN2CCCC(c3ccc(OC(F)(F)F)cc3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6248716,False
2815,O=C1N(c2ccc(Cl)c(Cl)c2)CCN1C1CCCNCC1,[*]N1CCN([*])C1=O,0.30792865,False
2816,O=C1N(c2ccccc2)CCN1C1CCN(CCc2cccc(Cl)c2)CC1,[*]N1CCN([*])C1=O,0.82805675,False
2817,O=C1N(c2ccccc2Cl)CCN1C1Cc2ccccc2N1,[*]N1CCN([*])C1=O,0.32383043,False
2818,CC(=O)c1cccc(N2CCN(CCN3CCN(Cc4cccc(C)c4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.5084893,False
2819,CC1(C)CCCC12CCCCN(CCN1CCN(c3cccc(C(F)(F)F)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.7375529,False
2820,CC12CC3CN(CCN4CCN(c5cccc(Cl)c5)C4=O)CC(CO)CC3C(C)(C1)C2,[*]N1CCN([*])C1=O,0.61347806,False
2821,CCCN(CC(C)(O)c1ccoc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.60349417,False
2822,CCCN(CC(C)C)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.59930634,False
2823,CCCN(CCC)C1COc2c(cccc2-c2cccc(O)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6971687,False
2824,CCCc1cccc2c1OCC(N(CCC)C(=O)c1ccc(Cl)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.30602702,False
2825,CCOc1c(Cl)ccc(Br)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23447864,False
2826,CCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.70751435,False
2827,CN1CCCC(C(c2ccccc2)N2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.42714396,False
2828,CN1CCc2ccccc2CC2CCC(CNCN3CCN(c4ccccn4)C3=O)C21,[*]N1CCN([*])C1=O,0.48917463,False
2829,COCN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33401194,False
2830,COc1ccc(-c2ccccc2)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92390126,False
2831,COc1ccccc1-c1coc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3552161,False
2832,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(Cl)cn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4873774,False
2833,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3ccc(O)nc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45020726,False
2834,Cc1ccc(N2CCN(CCN3CCCC(C)C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.63168246,False
2835,Cc1ccnc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83573824,False
2836,O=C(NCC=CCN1CCN(c2ccc3c[nH]c(O)c3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44773793,False
2837,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)-c1ccccc1CO2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.753563,False
2838,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2ccc[nH]2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9232732,False
2839,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2cccc(F)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89704144,False
2840,O=C1N(CCN2CC3CCCC(CC3)C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.7037689,False
2841,O=C1N(CCN2CC3CCCC2CC3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.55577666,False
2842,O=C1N(CCN2CCCCC2CF)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.50893587,False
2843,O=C1N(CCN2CCCCN(c3cccc(Cl)c3)C2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.4980532,False
2844,O=C1N(CCN2CCc3sccc3C2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.54059786,False
2845,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1c1ccccc1COC1CCNCC1,[*]N1CCN([*])C1=O,0.39320964,False
2846,O=C1N(c2ccccc2)CCN1C1CC2CCC1Cc1ccccc1CN2,[*]N1CCN([*])C1=O,0.3675484,False
2847,O=C1N(c2cccnc2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.25319812,False
2848,CC(C)Oc1cccc(N2CCN(CCN3CCN(c4ccccc4Cl)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.69900113,False
2849,CC(C)c1ccc(N2CCN(CC(=O)N3c4ccccc4CC3C)C2=O)cc1,[*]N1CCN([*])C1=O,0.27681842,False
2850,CC1(C)CC2(CNCCN3CCN(Cc4ccccc4Cl)C3=O)CCC1CC2,[*]N1CCN([*])C1=O,0.3335473,False
2851,CC1(O)CCCC12CCCN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.76723725,False
2852,CCCCN(c1cccnc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48152778,False
2853,CCCN(C(C)C)C1COc2c(cccc2-c2cc(C(O)(F)F)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5038872,False
2854,CCCc1cccc2c1OCC(N(CC)CC(=O)c1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.37091094,False
2855,CCCc1cccc2c1OCC(N(CC)CC(=O)c1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3721857,False
2856,CCCc1cccc2c1OCC(N(CC)Cc1cccc(-c3ccccc3)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6035464,False
2857,CCCc1cccc2c1OCC(N(CCC)OC(=O)c1ccc(F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4209477,False
2858,CCCc1cccc2c1OCC(N(CCC)c1ccc([N+](=O)[O-])cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.43348393,False
2859,CCN1CCCC1CNC(=O)c1c(OC)ccc(CCCS)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.85128087,False
2860,CCc1cccc2c1OCC(N(Cc1ccc(OC)cc1)C(C)CC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.46124184,False
2861,CN(C)Cc1cccc(N2CCN(CC3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.55862635,False
2862,CN(CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O)Cc1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.61527264,False
2863,CN1CCCCC(CN2CCN(c3ccc(Cl)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.42699572,False
2864,CN1Cc2ccccc2CC2CCC1CCN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7649739,False
2865,COc1c(C(=O)NCCN2CCN(c3ccccc3Oc3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.9298952,False
2866,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2cnc3ccccc3n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5857231,False
2867,Cc1cc(CN2CCN(c3cccc(Cl)c3)C2=O)sn1,[*]N1CCN([*])C1=O,0.3426032,False
2868,Cc1cccc(CN(C)CN2CCN(c3cccnc3)C2=O)c1,[*]N1CCN([*])C1=O,0.2949902,False
2869,Cc1csc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8781239,False
2870,O=C(NCC=CCN1CCN(C2CC(O)c3ccccc3-c3ccccc32)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3188444,False
2871,O=C1CCC2(CCCC2)CON1CCN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.4318652,False
2872,O=C1N(CC2CCCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.67947763,False
2873,O=C1N(CC2CNCCC2O)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.56097096,False
2874,O=C1N(CCN2CCCc3ccccc32)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.4560773,False
2875,O=C1N(CCN2CCCc3sccc3C2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.58791906,False
2876,O=C1N(CCNC2CCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5984144,False
2877,O=C1N(c2cccc(Cl)c2)CCN1C1CCC(c2ccccc2)CC1,[*]N1CCN([*])C1=O,0.4538832,False
2878,O=C1N(c2ccccc2F)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.22002025,False
2879,CC1(C)C2CCC1(CN1CCN(Cc3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.35796013,False
2880,CC1CCCCN(CCN2CCN(c3cccc(Cl)c3F)C2=O)C1,[*]N1CCN([*])C1=O,0.59463364,False
2881,CCCCN(CC)C1COc2c(Cl)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5877644,False
2882,CCCCN(CC)C1COc2c(cccc2-c2cc(C)cs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4151846,False
2883,CCCN(CC(=O)C(F)(F)F)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48685768,False
2884,CCCN(CC)CN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.45850602,False
2885,CCCN(CCC)C1COc2c(C#N)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8360922,False
2886,CCCN(CO)C1COc2c(cccc2C2CCC3(CCC(=O)C3)CC(=O)C2(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49161267,False
2887,CCCN(Cc1cnco1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4963528,False
2888,CCCc1cccc2c1OCC(N(CCC)c1cc(C(=O)c3cccs3)co1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4385821,False
2889,CCN(Cc1ccc(C(F)(F)F)cc1)C1COc2c(CC(C)C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5398514,False
2890,CCOc1c(CC)ccc(CCO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24193291,False
2891,CCc1cccc2c1OCC(N(CC(C)C)C(=O)O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.2753922,False
2892,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2C#N)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.44593078,False
2893,COc1c(C(=O)NCCN2CCN([N+](=O)c3ccccc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.41463268,False
2894,COc1c(C(=O)NCCN2CCN(c3ccc(N)c(Cl)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.9034648,False
2895,COc1c(C(=O)NCCN2CCN(c3cccc(C)n3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7850309,False
2896,COc1cccc(CN2CCCCC2CN2CCN(c3cccc(C(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.42803976,False
2897,COc1ccccc1N1CCN(CC2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.34391704,False
2898,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3cc(O)cnc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81888616,False
2899,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3ncc(O)nc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7546752,False
2900,Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8534754,False
2901,Cc1ccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)s1,[*]N1CCN([*])C1=O,0.768732,False
2902,Cc1ccc(OCCN2CCN(C=Cc3ccccc3)C2=O)cc1,[*]N1CCN([*])C1=O,0.20630929,False
2903,Cc1ccc2c(c1)CN(CCN1CCN(C(C)C)C1=O)C2,[*]N1CCN([*])C1=O,0.5865042,False
2904,Cc1cccc(N2CCN(CCN3CCN(C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8278141,False
2905,O=C(NCC=CCN1CCN(c2cc(-c3ccc(F)cc3)c(O)[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36907136,False
2906,O=C(NCC=CCN1CCN(c2cc3ccccc3nc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54729545,False
2907,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1cccc([N+](=O)[O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36898953,False
2908,O=C(NCC=CCN1CCN(c2cncs2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42857686,False
2909,O=C1N(CC2CC3CCC(CC3)CN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.64469457,False
2910,O=C1N(Cc2ccc3c(c2)-c2ccccc2C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.3669156,False
2911,CC(C)Oc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9237949,False
2912,CC(c1cccc(Cl)c1)N1CCN(CC2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.33987895,False
2913,CC1CCCCN(CCN2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.6957619,False
2914,CC1CCCN(CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6737134,False
2915,CCCCN(c1ccon1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47026482,False
2916,CCCN(CCc1ccco1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6262735,False
2917,CCCc1cccc2c1OCC(N(CO)c1ccc([N+](=O)[O-])cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.34615406,False
2918,CCc1ccc(C)c(OC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21313389,False
2919,CCc1cccc2c1OCC(N(CC(C)C)c1cc[nH]c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5051216,False
2920,COc1c(C(=O)NCCN2CCN(c3ccc(N)c([N+](=O)[O-])c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8050811,False
2921,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)nc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42442247,False
2922,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86779284,False
2923,COc1ccc2c(c1)OC(C(=O)NCC=CCN1CCN(c3ccccc3OCCF)CC1)=CN2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74956375,False
2924,COc1cccc2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)nc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8313996,False
2925,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OC)c(N(C)C)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42437363,False
2926,COc1ccccc1CN1CCN(CC=CCNC(=O)c2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.27708417,False
2927,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(C)nc(-c3ccc(F)cc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83663255,False
2928,Cc1cccc(N2CCN(CC3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.44557852,False
2929,Cc1ccccc1Oc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82176703,False
2930,Cc1coc2c1C(O)C(CN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.40201604,False
2931,N#Cc1cc(N2CCN(CC3CCNCC3)C2=O)ccc1Cl,[*]N1CCN([*])C1=O,0.49742207,False
2932,N#Cc1cccc(N2CCN(CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6485354,False
2933,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(OCCF)cc3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5259844,False
2934,O=C(NCC=CCN1CCN(c2ccc(-c3cccnc3)cc2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49475786,False
2935,O=C(NCC=CCN1CCN(c2ccc(CF)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5308629,False
2936,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4976084,False
2937,O=C(NCC=CCN1CCN(c2cccc(OCCF)n2)CC1)c1ccc(CCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42106348,False
2938,O=C(NCC=CCN1CCN(c2ccccc2Br)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76548785,False
2939,O=C1N(CC2CCCCN2CCc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6465055,False
2940,O=C1N(CC2CCCCN2Cc2cccc(F)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4861006,False
2941,O=C1N(CCC2(O)CCCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.50940233,False
2942,O=C1N(CCN2CCCCCC2)CCN1Cc1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.64113605,False
2943,O=C1N(CCOCC2CCc3ccccc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5513496,False
2944,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5835966,False
2945,C=CN(CC(C)C)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5355129,False
2946,CC(C)(C)c1ccc(N2CCN(C3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.43463948,False
2947,CC1(C)CCCCN1CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.39667025,False
2948,CC12CCN(C1)C(C)(C)C(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.54346573,False
2949,CC1c2ccccc2CN1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.60826457,False
2950,CCCN(C(C)C)C1COc2c(C#N)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71226645,False
2951,CCCN(CC(F)(F)c1ccc(F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62734395,False
2952,CCCN(CCC)C1COc2c(cccc2-c2ccc(C(C)(C)O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.69259685,False
2953,CCCN(CCC)C1COc2c(cccc2C(=O)Cc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6592526,False
2954,CCCc1cccc2c1OCC(N(CCC)c1cocn1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5876487,False
2955,CCCc1cccc2c1OCC(N(COC)CC(=O)N1CCCC(C)C1C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.31096062,False
2956,CCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1CO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.42041683,False
2957,CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20634648,False
2958,CCOc1c(O)ccc(CC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7701646,False
2959,CN(CN1CCN(c2cccc(C(F)(F)F)c2)C1=O)CC12CCC(CC1)CC2(C)C,[*]N1CCN([*])C1=O,0.6384857,False
2960,COc1ccc(OC)c(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.71329266,False
2961,COc1cccc2occ(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8231186,False
2962,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3cccc(OC)c3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93694365,False
2963,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3cccnc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9361973,False
2964,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3ncccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85811776,False
2965,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(OC)c2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96315116,False
2966,Cc1ccc(-c2c(C(=O)NCCN3CCN(O[O-])CC3)cc(Br)c3ccccc23)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.29011574,False
2967,Cc1ccc([N+])cc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35002753,False
2968,N#CCN1CCN(CC2NCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.5325448,False
2969,N#Cc1ccccc1-c1c(C(=O)NCCN2CCN(CO)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.46455535,False
2970,O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)C1=O)NCc1cccc(F)c1,[*]N1CCN([*])C1=O,0.08835613,False
2971,O=C(NCC=CCN1CCN(c2c[nH]c3c(Cl)cccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59610516,False
2972,O=C(NCC=CCN1CCN(c2ccc(Cl)cn2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4713584,False
2973,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4931199,False
2974,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc2ccc(OCCF)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82779723,False
2975,O=C1N(CC2CCc3ccccc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.55730706,False
2976,O=C1N(CCN2CCC3Cc4ccccc4CCC2C3)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.49924025,False
2977,CC(C)(C)Oc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9104631,False
2978,CCCN(CC(=O)c1cc[nH]c1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.35513484,False
2979,CCCN(CC(C)c1ccoc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.61408436,False
2980,CCCN(CCC)C1COc2c(cccc2C(O)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7042514,False
2981,CCCN(Cc1csc(C(C)=O)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47791216,False
2982,CCCc1ccc(OC)c(C(=O)NCC2CCCN2SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2874871,False
2983,CCCc1cccc2c1OCC(N(CCC)c1cccc(=O)o1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.500793,False
2984,CCN1CCCC1CNC(=O)c1c(C)ccc(O)c1OCC[O-],[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6555684,False
2985,CCc1ccc(C)c(OO)c1C(=O)NCC1CCCN1CCCF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.38219398,False
2986,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.670099,False
2987,CN(Cc1cccs1)CN1CCN(c2ccsc2)C1=O,[*]N1CCN([*])C1=O,0.39016235,False
2988,COc1c(C(=O)NCCN2CCN(Cc3cccc(Cl)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.44992355,False
2989,COc1ccc(C(=O)c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92335445,False
2990,COc1ccc(C)c2cccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8070326,False
2991,COc1cccc(C(=O)NCC=CCN2CCN(c3cc(OC)ccc3[N+](=O)[O-])CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45133644,False
2992,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(-c4ccccn4)cc3)CC2)c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41003755,False
2993,COc1cccc(CN2CCN(CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.62010914,False
2994,COc1cccc(N2CCN(CC(C)N3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.41681105,False
2995,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2-c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6845241,False
2996,COc1ccccc1N1CCN(CC=CCNC(=O)c2c(OCCF)ccc3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9380143,False
2997,Cc1nc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cs1,[*]N1CCN([*])C1=O,0.7871069,False
2998,O=C(CN1CCN(c2cccc(C(F)(F)F)c2)C1=O)NCc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.10124332,False
2999,O=C(NCC=CCN1CCN(c2cc3cc(O)c(OCCF)cc3[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43069854,False
3000,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1cccc(Cl)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5486802,False
3001,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2nccnc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8592581,False
3002,O=C1N(CC2CCCCCN2)CCN1c1cccc(O)c1,[*]N1CCN([*])C1=O,0.45070264,False
3003,O=C1N(CC2CCCNC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.4210176,False
3004,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.662956,False
3005,O=C1N(CCNCC2CCc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.49203876,False
3006,O=C1N(Cc2cccc(Cl)c2)CCN1c1ccc2c(c1)Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.5063223,False
3007,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CCCCN1CCc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.36548412,False
3008,O=C1N(c2cccc(Cl)c2F)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.28872827,False
3009,CC(C)(C)c1cccc(N2CCN(C3Cc4ccccc4N3)C2=O)c1,[*]N1CCN([*])C1=O,0.39149502,False
3010,CC(C)C1CCCCN1CN1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.2976792,False
3011,CC(C)c1ccc(N2CCN(CC(=O)N3c4ccccc4CC3(C)C)C2=O)cc1,[*]N1CCN([*])C1=O,0.19493535,False
3012,CC1(C)CCN(CCN2CCN(c3cccc(C(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.86103976,False
3013,CCCN(C(C)C)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45024875,False
3014,CCCN(CCC)C1COc2c(cccc2-c2ccno2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.78422564,False
3015,CCCc1ccc(C)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2240557,False
3016,CCN(C)CCN1CCN(c2ccsc2)C1=O,[*]N1CCN([*])C1=O,0.62749946,False
3017,CCN1CCCCC(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.38228628,False
3018,CN1CCCCCC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7032197,False
3019,COc1c(C(=O)NCCN2CCN(c3ccc([N+](=O)[O-])cc3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7486849,False
3020,COc1c(Cl)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2756522,False
3021,COc1cccc(C(C)N2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7050897,False
3022,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4ccc(OCCF)cc4)CC3)[nH]c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42949313,False
3023,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3C)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77180886,False
3024,Cc1cc(Cl)ccc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73827815,False
3025,Cc1cccc(N2CCN(C3CCCC(C)(C)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.23497859,False
3026,N#Cc1ccc(N2CCN(CCN3CCCCCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.86850065,False
3027,N#Cc1cccc(N2CCN(Cc3ccc4c(c3)Cc3ccccc3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.42872444,False
3028,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(OCF)cc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4779603,False
3029,O=C(NCC=CCN1CCN(c2ccc[nH]2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38467962,False
3030,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5406442,False
3031,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc2ccccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8040877,False
3032,O=C1N(CC2CCCCC2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.3031515,False
3033,O=C1N(CCCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.9210735,False
3034,O=C1N(CCN2CC3CCCC2Cc2ccccc2C3)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.53981894,False
3035,O=C1N(CCN2CCN(C(F)(F)F)C2=O)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.58012813,False
3036,O=C1N(Cc2ccc(Cl)cc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4499711,False
3037,O=C1N(c2cccc(Cl)c2)CCN1c1ccc2c(c1)N(CCO)CC2,[*]N1CCN([*])C1=O,0.4743999,False
3038,O=C1N(c2cccc(Cl)c2F)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.23785092,False
3039,O=Cc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42391005,False
3040,CC(C)(C)Oc1cccc(N2CCN(CC3CCCC4CCCCN43)C2=O)c1,[*]N1CCN([*])C1=O,0.30965957,False
3041,CC(C)N1CCN(CCN2CCN(c3cccc(Cl)c3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.88243085,True
3042,CC1(C)CC2CCC(CN3CCN(c4ccccc4)C3=O)(C2)C1,[*]N1CCN([*])C1=O,0.48254263,False
3043,CCCN(Cc1occc1C(N)=O)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47626418,False
3044,CCCN1CCc2cc(N3CCN(c4cccc(Cl)c4)C3=O)sc2C1,[*]N1CCN([*])C1=O,0.66042477,False
3045,CCOc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7563689,False
3046,COC(CCN1CCN(c2cccc(Cl)c2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.743553,False
3047,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44462067,False
3048,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3C)CC2)c(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.616138,False
3049,COc1cccc(N2CCN(C3CCCCC3CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.5677711,False
3050,COc1cccc2c1-c1cccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79120547,False
3051,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccno3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43372232,False
3052,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2N(C)Cc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.729653,False
3053,Cc1cc(CCN2CCN(c3cccc(Cl)c3)C2=O)on1,[*]N1CCN([*])C1=O,0.55927294,False
3054,Cc1cccn1CCN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.39487028,False
3055,N#Cc1cccc(N2CCN(CC3CCc4ccccc4N3)C2=O)c1,[*]N1CCN([*])C1=O,0.54137456,False
3056,O=C(NCC=CCN1CCN(c2cc(-c3ccccc3)ccn2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4405639,False
3057,O=C(NCC=CCN1CCN(c2cc(O)cc3ccc(O)cc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5258657,False
3058,O=C(NCC=CCN1CCN(c2cc(O)ccc2F)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6563921,False
3059,O=C(NCC=CCN1CCN(c2cc3ccc(OCCF)cc3o2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4395568,False
3060,O=C(NCC=CCN1CCN(c2ccc(-c3cc(O)ccn3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4712414,False
3061,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5259528,False
3062,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1c2ccccc2-c2ccccc21,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87067986,False
3063,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)Oc1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91005194,False
3064,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1-c1cccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89771575,False
3065,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccsc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93680084,False
3066,O=C(NCC=CCN1CCN(c2cccc3c(=O)[nH]c4ccccc4c23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5794397,False
3067,O=C(NCC=CCN1CCN(c2ccccc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.857459,False
3068,O=C(NCC=CCN1CCN(c2cccs2)CC1)c1ccc(Cl)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4987217,False
3069,O=C(NCC=CCN1CCN(c2ncccc2O)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4215834,False
3070,O=C(NCC=CCN1CCN(c2oc3ccccc3c2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36324793,False
3071,O=C1N(CC2c3ccccc3CN2CCF)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7451134,False
3072,O=C1N(CCN2CCCc3ccccc32)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.4954529,False
3073,C#Cc1ccc(C(=O)c2cccc3c2OCC(N(CCC)CC2CCC2)C3)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.3862375,False
3074,CC(C)N1CCCC(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.5647406,False
3075,CCCCN(C1CCCC1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45241898,False
3076,CCCN(NC(C)=O)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.32818976,False
3077,CCCN(O)C1COc2c(CCc3ccc(F)cc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.63394016,False
3078,CCCc1cccc2c1OCC(N(CCC)C(F)(F)c1ccc(F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.64487386,False
3079,CCN1CCCC1CNC(=O)c1c(C)ccc(CSC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.74692166,False
3080,CCNCCN1CCN(Cc2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.28609902,False
3081,CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1F,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17846987,False
3082,CCSc1ccc(OC)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8674651,False
3083,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)C1CCCCC12CCCOC2,[*]N1CCN([*])C1=O,0.6512181,False
3084,CN1C2CCCC1CC(N1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.5052418,False
3085,CN1CCCCC1N1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.31854305,False
3086,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2CN)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.45953947,False
3087,COc1ccc(Cl)c(Cl)c1N1CCN(CC=CCNC(=O)OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3689049,False
3088,COc1ccc2oc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38538536,False
3089,COc1cccc(-c2ccccc2N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71444374,False
3090,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3cc(O)ccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38113415,False
3091,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(OC)c2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70894957,False
3092,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3ccc(O)cc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9495511,False
3093,Cc1cc(CCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)on1,[*]N1CCN([*])C1=O,0.37853047,False
3094,Cc1ccc(F)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9045924,False
3095,Cc1cccc(N2CCN(COCc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.34873435,False
3096,Cc1cccnc1-c1ccc(C(=O)NCC=CCN2CCN(c3c(Cl)cccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3814931,False
3097,Nc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4916088,False
3098,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1C=Cc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83298886,False
3099,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)NCCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91093093,False
3100,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc2ccccc2n1,[*]N1CCN([*])C1=O,0.82054293,False
3101,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccsc1,[*]N1CCN([*])C1=O,0.91048336,False
3102,O=C1N(CCc2cccc(Cl)c2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.51707315,False
3103,O=C1N(c2cccs2)CCN1C1NCC2CCc3ccccc3CC1CC2,[*]N1CCN([*])C1=O,0.41959324,False
3104,C=Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7798097,False
3105,CC(=O)NC1C2CCCCC(N3CCN(c4cccc(Cl)c4)C3=O)CC1CC2,[*]N1CCN([*])C1=O,0.1408343,False
3106,CC(=O)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6644965,False
3107,CC(C)(C)CC1CCCC12CN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7137963,False
3108,CC1(C)CCC(C)(C)CC2CC(C1)N2CCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.51179093,False
3109,CC1CCC2(CN3CCN(c4cccc(Cl)c4)C3=O)CNCC(C1)C2,[*]N1CCN([*])C1=O,0.6109276,False
3110,CCCCN(CC)C1COc2c(cccc2C(C)(C)O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45384914,False
3111,CN(C)CCN1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.4902982,False
3112,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2[N+]([O-])=COc2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35042128,False
3113,COc1c(C(=O)NCCN2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.26232183,False
3114,COc1c(C(=O)NCCN2CCN(c3ccccc3O[N+](C)=O)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8529925,False
3115,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)cc2C)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68924624,False
3116,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3476902,False
3117,COc1cccc(CN(C)CCN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.61309767,False
3118,COc1cccc(Cl)c1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28126472,False
3119,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9461754,False
3120,COc1ccccc1Oc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3583123,False
3121,Cc1cccc(-c2cccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9436672,False
3122,Cc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1Oc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85092986,False
3123,N#Cc1cccc(N2CCN(CCN3CCN(Cc4cccc(F)c4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.7677048,False
3124,O=C(NCC=CCN1CCN(C2=C3C=CC=CC=C(C=C2)c2ccccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39771688,False
3125,O=C(NCC=CCN1CCN(Oc2ccc(CCF)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32209656,False
3126,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1[nH]ccc1-c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39907798,False
3127,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccnn2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89721113,False
3128,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc([O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9578665,False
3129,O=C(NCC=CCN1CCN(c2cccc(F)n2)CC1)c1ccccc1C(F)(F)F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5066393,False
3130,O=C(NCC=CCN1CCN(c2cccc(OCCF)n2)CC1)c1cccc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4331208,False
3131,O=C(NCC=CCN1CCN(c2cncnc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4976935,False
3132,O=C1N(CCN2CCC3CCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8516689,False
3133,O=C1N(CCN2CCCc3sccc3C2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.63680035,False
3134,O=C1N(Cc2cccc(Cl)c2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.37385237,False
3135,C=C(C)Cc1cccc2c1OCC(N(CC)CO)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.576871,False
3136,CC(C)N1CCN(CCN2CCC(C)(C)CC2)C1=O,[*]N1CCN([*])C1=O,0.52727365,False
3137,CC(C)c1cccc(N2CCN(CCN3CCCC(c4ccccc4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8220557,False
3138,CC1CN2CCCC1C2CN(C)CCN1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.5482649,False
3139,CCCCN(C(=O)OC)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3454985,False
3140,CCCN(CC1(C(=O)O)CCCCC1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.469593,False
3141,CCCN(CC1CCCC(=O)C1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.513779,False
3142,CCCN(CCc1ccsc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.78669024,False
3143,CCCc1cccc2c1OCC(N(CCC)Cn1ccc(C(F)(F)F)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.63157845,False
3144,CCc1ccc(C)c(OO)c1C(=O)NCC1CCCN1CO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.4242011,False
3145,CCc1ccc(Cl)c(OSC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19996673,False
3146,CN(Cc1cccc2sccc12)CN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.33465183,False
3147,CN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2N)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.41109097,False
3148,COc1c(C(=O)NCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.87426615,False
3149,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3CF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74870455,False
3150,COc1cccc(C(=O)NCC=CCN2CCN(c3cc4ccccc4o3)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38297415,False
3151,COc1ccccc1N1CCN(CC=CCNC(=O)c2c(OC)ccc3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92379093,False
3152,Cc1ccc(-c2ccccc2)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9053154,False
3153,Cc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88254136,False
3154,Cc1cccc(CN(C)CN2CCN(c3ccc4sccc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.32843634,False
3155,Cc1nc(CN2CCN(c3ccsc3)C2=O)c(C)s1,[*]N1CCN([*])C1=O,0.20512882,False
3156,N#Cc1cccc(CNC(=O)CN2CCN(c3cc4ccccc4s3)C2=O)c1,[*]N1CCN([*])C1=O,0.10608273,False
3157,O=C(NCC=CCN1CCN(C2=CC=Cc3cccc(O)c3C2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.29988462,False
3158,O=C(NCC=CCN1CCN(c2cc(-c3ccccc3)no2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.382125,False
3159,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)[nH]2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40748134,False
3160,O=C(NCC=CCN1CCN(c2ccc(CCF)cc2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39503488,False
3161,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56373316,False
3162,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1sc2ccccc2c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4732374,False
3163,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccccc2)c(O)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8982826,False
3164,O=C(NN1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1)c1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.29417825,False
3165,O=C1N(CCN2CCCc3ccsc3C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.74149674,False
3166,O=C1N(CCOCC2CCCNC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.49408045,False
3167,CC(C)N1CCc2cc(CN3CCN(c4cccc(F)c4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.3350718,False
3168,CC1CCN(C(C)CN2CCN(c3cccc(C(C)C)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.3609144,False
3169,CCCCN(c1cc(C(=O)O)co1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.35634437,False
3170,CCCN(Cc1ccoc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.70466715,False
3171,CN(CN1CCN(c2ccc3ccsc3c2)C1=O)CC12CCCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.32742774,False
3172,CN(Cc1ccsc1)CN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.4342539,False
3173,CN1CCCC1COCCN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6019867,False
3174,CN1CCCC1COCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.43751794,False
3175,CN1CCc2ccc(N3CCN(Cc4ccc(Cl)cc4)C3=O)cc21,[*]N1CCN([*])C1=O,0.47068435,False
3176,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C2=C[N+]C(C)=CC=C2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38452706,False
3177,COc1c(C(=O)NCCN2CCN(c3cccc([N+](F)(F)F)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.58759844,False
3178,COc1ccc(-c2c[nH]c(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4401573,False
3179,COc1ccc(-c2csc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39461985,False
3180,COc1ccccc1C(=O)NCC=CCN1CCN(c2c[nH]c(-c3ccc(O)cc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38771167,False
3181,COc1ccccc1C(=O)NCC=CCN1CCN(c2sccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4270999,False
3182,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc[nH]3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8718026,False
3183,COc1ccccc1N1CCN(CN(C)Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.36880276,False
3184,Cc1ccc(C)c(CN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.2682504,False
3185,Nc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92026234,False
3186,Nc1ccccc1C(=O)NCC=CCN1CCN(c2ccncc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49834296,False
3187,O=C(NCC=CCN1CCN(c2ccc(OCCF)c(Cl)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48029265,False
3188,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(Br)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94908905,False
3189,O=C(NCC=CCN1CCN(c2cccc3c2Cc2ccccc2-c2ccccc2-3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.754755,False
3190,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)C1=CC=Cc2ccc(OCCF)cc2N1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7024644,False
3191,O=C1N(CCC2CCN(Cc3cccs3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6503036,False
3192,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.7393773,False
3193,O=C1N(CCOCC2CCc3ccccc3C2)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.30196413,False
3194,O=C1N(Cc2cccc(Cl)c2)CCN1Cc1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.33482596,False
3195,O=C1N(c2ccc(Cl)cc2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.26839802,False
3196,O=C1N(c2cccc(Cl)c2)CCN1C1CC2CCNCC(C2)C1,[*]N1CCN([*])C1=O,0.4786371,False
3197,CC1CCNC(CN2CCN(c3cccc(C(F)(F)F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.53321505,False
3198,CCCCN(O)C1COc2c(cccc2C(=O)NCC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.36854845,False
3199,CCCN(c1ccc(F)cc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5691136,False
3200,CCCSCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15067849,False
3201,CCOOc1c(C)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.64305896,False
3202,CCc1ccc(C)c(OSSC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17292184,False
3203,CCc1ccc(O)c(C(=O)NCC2CCCN2CC)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7781349,False
3204,CN(Cc1csc2ccccc12)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.45655552,False
3205,CN1CCN(CCN2CCN(Cc3cccc(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6095693,False
3206,CN1CCN(CCN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.74163836,False
3207,COc1c(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)ccc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5020182,False
3208,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3Cl)CC2)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39735368,False
3209,COc1ccc(Cl)cc1-c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.49926028,False
3210,COc1cccc(-c2cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cs2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8744161,False
3211,COc1cccc(Cc2ccccc2C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8715478,False
3212,COc1cccc(N2CCN(CC=CCNC(=O)c3ccc(C)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74797976,False
3213,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(F)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4603126,False
3214,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70692945,False
3215,COc1ccccc1N1CCN(c2ccc3c(c2)-c2ccccc2C3)C1=O,[*]N1CCN([*])C1=O,0.33305624,False
3216,Cc1ccc(CN(C)CCN2CCN(c3cc(Cl)ccc3Cl)C2=O)s1,[*]N1CCN([*])C1=O,0.32983613,False
3217,Cc1ccc(N2CCN(CC3CCCCN3C)C2=O)cc1,[*]N1CCN([*])C1=O,0.39999205,False
3218,Cc1cccc(N2CCN(CCN3Cc4ccccc4C3C)C2=O)c1,[*]N1CCN([*])C1=O,0.69309735,False
3219,Cc1cccc(O)c1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38159415,False
3220,Cc1nc(CN2CCN(Cc3ccccc3)C2=O)cs1,[*]N1CCN([*])C1=O,0.22156703,False
3221,N#Cc1cccc(N2CCN(CC3NCCc4ccc(C#N)cc43)C2=O)c1,[*]N1CCN([*])C1=O,0.56659216,False
3222,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90868485,False
3223,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cccc(OCCF)c2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8214564,False
3224,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2=O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88580525,False
3225,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ncc[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7344263,False
3226,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc2ccccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9596002,False
3227,O=C1N(CCNC2CCCCC2)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.33883145,False
3228,O=C1N(c2cccc(F)c2)CCN1C(OCc1ccccc1)C1CCCCN1,[*]N1CCN([*])C1=O,0.31893218,False
3229,C=C1CC2(CCCC2)CC(=O)N1CCCN(CCC)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.66785794,False
3230,CC(C)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8684332,False
3231,CC1CCC2CC(C1)CN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.8660779,False
3232,CC1CCNCN1CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.56247425,False
3233,CCCN(Cc1ccccc1C(F)(F)F)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.59203845,False
3234,CCN1CCN(c2cccc(OC(C)C)c2)C1=O,[*]N1CCN([*])C1=O,0.28671184,False
3235,CCOc1c(C)ccc(Br)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15801288,False
3236,CCc1cccc2c1OCC(N(Cc1ccoc1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.41269702,False
3237,CN(CCN1CCN(c2cc(F)cc(Cl)c2)C1=O)Cc1cccs1,[*]N1CCN([*])C1=O,0.5958115,False
3238,CN(Cc1cccc(Cl)c1)CN1CCN(C2CCOC2)C1=O,[*]N1CCN([*])C1=O,0.37197232,False
3239,CN(Cc1cccs1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4742634,False
3240,COCC(=O)N1CCc2cc(N3CCN(c4cccc(Cl)c4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.23443808,False
3241,COc1c(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)sc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8460831,False
3242,COc1c[nH]cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5862394,False
3243,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(OCCF)c3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42227507,False
3244,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ncccc3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9006141,False
3245,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3nccnc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87298477,False
3246,COc1ncccc1N1CCN(CC=CCNC(=O)c2ccc(F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64876574,False
3247,Cc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1-c1ccsc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8784903,False
3248,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35226622,False
3249,O=C(NCC=CCN1CCN(CNCc2ccc(O)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30269855,False
3250,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3O)s2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43562725,False
3251,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(O)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9871179,False
3252,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7191653,False
3253,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51572824,False
3254,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1cccnc1-c1cccc(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45380098,False
3255,O=C1N(CC2CCC3(CCCC3)CO2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5847541,False
3256,O=C1N(CCN2CC3CCc4ccccc4CC(CC3)C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.6419082,False
3257,O=C1N(CCN2CCCC(c3ccccn3)CC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.7797248,False
3258,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccno1,[*]N1CCN([*])C1=O,0.69784737,False
3259,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(C(F)(F)F)nc1,[*]N1CCN([*])C1=O,0.740852,False
3260,CC12CCC(CC1)CC(N1CCN(c3ccccc3)C1=O)C2NC1CCCCC1,[*]N1CCN([*])C1=O,0.19995573,False
3261,CC1CCC2CC(C1)CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.7411282,False
3262,CC1CCCNC1N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.28493217,False
3263,CCCCN(CCC)C1COc2c(cccc2-c2ccc(O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.67724705,False
3264,CCCN(C(=O)Oc1ccc(C(F)(F)F)cc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2679034,False
3265,CCCN(CCC)C1COc2c(cccc2OC(=O)c2cccc3ccccc23)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5244034,False
3266,CCc1cccc2c1OCC(N(Cc1cccs1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.43808234,False
3267,CN(CCN1CCN(c2ccccn2)C1=O)Cc1cccs1,[*]N1CCN([*])C1=O,0.48739457,False
3268,CN1CCCCC(N2CCN(Cc3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.390187,False
3269,CNC(CN1CCN(CC(=O)N2CCc3ccccc32)C1=O)c1ccccc1,[*]N1CCN([*])C1=O,0.13559027,False
3270,COC(=O)CN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.13121448,False
3271,COC(c1ccccc1)C1CCCN(CCN2CCN(Cc3ccccc3F)C2=O)C1,[*]N1CCN([*])C1=O,0.4618778,False
3272,COCc1ccccc1N1CCN(CCN2CCCc3sccc3C2)C1=O,[*]N1CCN([*])C1=O,0.551347,False
3273,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([O-])c2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.30510393,False
3274,COc1c(C(=O)NCCN2CCN(c3cc(C)cc([N+](=O)[O-])c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7813609,False
3275,COc1ccc2c(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)[nH]cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35280302,False
3276,COc1cccc(CCN2CCN(c3ccc(Cl)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.43597028,False
3277,COc1cccc(N2CCN(CC3CCCCN3)C2=O)c1Cl,[*]N1CCN([*])C1=O,0.3545098,False
3278,COc1cccc2cccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7302896,False
3279,Cc1cc(N2CCN(CCN3CCc4ccccc4C3)C2=O)n(C(C)C)c1C,[*]N1CCN([*])C1=O,0.59815365,False
3280,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60300505,False
3281,O=C(NCC=CCN1CCN(c2cccc(C#Cc3ccccc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.486498,False
3282,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc(-c2ccccc2)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7773528,False
3283,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7775555,False
3284,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)NCC1COc2ccccc2N1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.62717515,False
3285,O=C1N(CCN2CC3CCCC(CC3)C2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.7590325,False
3286,O=C1N(CCN2CCC(O)(c3ccccc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.80231583,False
3287,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.9051878,False
3288,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.641356,False
3289,O=C1N(Cc2ccccn2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.35936394,False
3290,O=C1N(c2cccc(Cl)c2)CCN1C1CCCNCC1,[*]N1CCN([*])C1=O,0.46180573,False
3291,CC(F)(F)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.86477137,False
3292,CC1CC2CCC(CNCCN3CCN(c4cccc(Cl)c4)C3=O)(C1)C2(C)C,[*]N1CCN([*])C1=O,0.65457004,False
3293,CCCN(CC(=O)c1ccc(C(F)(F)F)cc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3404585,False
3294,CCCN(CC1CCC(C)C1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6867791,False
3295,CCCN(CCc1cccc(OC)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71145076,False
3296,CCCOC1CCCCc2ccc(N3CCN(c4ccc(Cl)cc4)C3=O)cc21,[*]N1CCN([*])C1=O,0.43004963,False
3297,CCCc1cccc2c1OCC(N(CC)CC(=O)c1ccc(Cl)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.33991927,False
3298,CCCc1cccc2c1OCC(N(CCC)C(=O)Nc1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.22242856,False
3299,CCCc1cccc2c1OCC(N(CCC)c1ccc(C)cc1OC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.52274543,False
3300,CCN(C)Cc1cccc(N2CCN(c3cc4ccccc4s3)C2=O)c1,[*]N1CCN([*])C1=O,0.34629163,False
3301,CCN1CCCC1CNC(=O)c1c(OC)ccc(NC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8414669,False
3302,CCOc1c(C)ccc(CCSC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.12619197,False
3303,CCOc1ccccc1CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.29371712,False
3304,CN(CCN1CCN(c2ccc(Cl)c(Cl)c2)C1=O)CC1CCC2CC(C1)C2(C)C,[*]N1CCN([*])C1=O,0.6250046,False
3305,COc1cc2cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35068446,False
3306,COc1ccc2cccc(N3CCN(CC=CCNC(=O)c4occc4OCCF)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6138392,False
3307,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(OCCF)c3)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3729243,False
3308,COc1cccc(Cl)c1N1CCN(CC=CCNC(=O)c2ccc(-c3ccncc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37302923,False
3309,COc1cccc(N2CCN(CCN3CC4CCCC(CC4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.75190306,False
3310,Cc1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3[N+](=O)[O-])CC2)c1C,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.76726973,False
3311,Cc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7828438,False
3312,Nc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93479395,False
3313,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4675374,False
3314,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ncc[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8128909,False
3315,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c(O)[nH]c2cc(O)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8997865,False
3316,O=C(NCC=CCN1CCN(c2cccn3cccc23)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6057367,False
3317,O=C1N(CCN2CCC3CCC(CC3O)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5845838,False
3318,O=C1N(CCn2c(O)cc3ccccc32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.3631907,False
3319,O=C1N(Cc2ccccc2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.33464968,False
3320,C#CCN(C)CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.82461303,False
3321,CC(c1cccc(Cl)c1)N1CCN(CCN2c3ccccc3CC2(C)C)C1=O,[*]N1CCN([*])C1=O,0.44908482,False
3322,CC(c1cccs1)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8317734,False
3323,CC1CN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC(C)(C)C1,[*]N1CCN([*])C1=O,0.8470495,False
3324,CCCCN(Cn1cc(C(F)(F)F)cc1C(F)(F)F)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45719588,False
3325,CCCNC1CCC2C1CCC2N1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.32585284,False
3326,CCCc1cccc2c1OCC(N(CCC)C(=O)Nc1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.21155313,False
3327,CCc1ccc(CC)c(C(=O)NCC2CCCN2OC)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21833606,False
3328,CCc1cccc2c1OCC(N(CC(C)CC)c1ccco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.33048743,False
3329,CN(CCN1CCN(c2cccnc2)C1=O)Cc1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.4981215,False
3330,CN1CCCC2COCC(CN3CCN(c4cccc(Cl)c4)C3=O)CC21,[*]N1CCN([*])C1=O,0.42287338,False
3331,COC1=Cc2cc(O)ccc2CC(C(=O)NCC=CCN2CCN(c3cccc(OCCF)c3)CC2)=C1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3743047,False
3332,COCC1CCCN1CN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4033961,False
3333,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc([N+](=O)c3ccccc3)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39221707,False
3334,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2S(=O)(=O)c2ccccc2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33867437,False
3335,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccc(-c3ccccc3)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67021394,False
3336,COc1cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)ccn1,[*]N1CCN([*])C1=O,0.8388623,False
3337,COc1cc2cccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6846021,False
3338,COc1ccc2c(c1)CCc1ccc(cc1N1CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC1)CC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.62969947,False
3339,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(C(=O)OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39538282,False
3340,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5538686,False
3341,Cc1cccc(CN(C)CCN2CCN(c3cccnc3)C2=O)c1,[*]N1CCN([*])C1=O,0.52692705,False
3342,O=C(NCC=CCN1CCN(c2cc(-c3c[nH]c(O)c3)c[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41717875,False
3343,O=C(NCC=CCN1CCN(c2ccc(O)c(NCCF)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32974184,False
3344,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(Cl)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90862155,False
3345,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1NC1CCOCC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5615589,False
3346,O=C(NCC=CCN1CCN(c2cccc3ccsc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64287156,False
3347,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1ccc(-c2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49445155,False
3348,O=C1N(CCNC2CCc3ccsc3CC2)CCN1Cc1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.41465175,False
3349,O=C1N(CCc2ccccc2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.4920334,False
3350,O=C1N(CNCc2cc3ccccc3s2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.2773584,False
3351,O=C1N(c2ccccc2F)CCN1C1CCOCC1,[*]N1CCN([*])C1=O,0.18882489,False
3352,C#CCN1CCC(N2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.66032743,False
3353,CC1(C)C2CCCC1(CN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.5998844,False
3354,CCCN(CC1CCN(CCC(C)C)C(=O)C1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41191518,False
3355,CCCN(Cc1ccccc1)C1COc2c(CO)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.66968226,False
3356,CCCN1CCc2ccc(N3CCN(c4cccc(Cl)c4)C3=O)cc2C1,[*]N1CCN([*])C1=O,0.73875284,False
3357,CCCc1cccc2c1OCC(N(CCC)C(=O)Cc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.48080176,False
3358,CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.3046843,False
3359,CCN1CCc2cc(N3CCN(c4ccc(Cl)cc4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.3341717,False
3360,CCc1ccc(C)c(OCS)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17513035,False
3361,CCc1cccc2c1OCC(N(CC(C)=O)CC(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.28287283,False
3362,CN1CCC(CN2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5373784,False
3363,COc1c(C(=O)NCCN2CCN(c3c(C)cccc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.81096077,False
3364,COc1cc(O)ccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8975863,False
3365,COc1ccc(C)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95073324,False
3366,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc4cc(O)[nH]c4c3)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37879,False
3367,COc1ccccc1-c1c(C(=O)NCCN2CCN(C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3787135,False
3368,Cc1cc[nH]c1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7612611,False
3369,Cc1cccc(N2CCN(CCN3CC4CCCC3c3ccccc3CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.5371225,False
3370,O=C(NCC=CCN1CCN(c2cc(F)ccc2OCCF)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66461045,False
3371,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1cccc(C(F)(F)F)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53068703,False
3372,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64494467,False
3373,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(F)c(O)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9463339,False
3374,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9165654,False
3375,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(NC(=O)c2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7079777,False
3376,O=C(NCC=CCN1CCN(c2ccccc2O)CC1)c1ccc(Cl)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8180546,False
3377,O=C1N(CC2CCCCN2Cc2ccccc2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.35293406,False
3378,O=C1N(CC2Cc3ccccc3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.52330405,False
3379,O=C1N(CCN2CC3CCc4ccccc4CC(CC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7626312,False
3380,O=C1N(CCN2CCCC3CCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.74460715,False
3381,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc2c1OCO2,[*]N1CCN([*])C1=O,0.81231093,False
3382,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(CC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.93528605,False
3383,C=CN(CCCC)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.55663115,False
3384,CCC(=O)CN(CC)C1COc2c(cccc2-c2ccc(C(C)(C)C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37642223,False
3385,CCCCN(CC)C1COc2c(cccc2C(O)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.44580692,False
3386,CCCN(C(C)C)C1COc2c(cccc2S(=O)(=O)C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5756372,False
3387,CCCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5742581,False
3388,CCN(C)CCN1CCN(c2cccc(Cl)c2Cl)C1=O,[*]N1CCN([*])C1=O,0.51931113,False
3389,CCN(CC(C)C)C1COc2c(cccc2C(=O)c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.32447574,False
3390,CCN1CCCC1CNC(=O)c1c(C)ccc(Br)c1OF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7004513,False
3391,CCc1ccc(F)c(C(=O)NCC2CCCN2O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17050843,False
3392,CN(CN1CCN(c2ccc(F)cc2)C1=O)CC12CCCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.52899617,False
3393,CN1CCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8836368,False
3394,COC(=O)C1Cc2ccccc2N1CCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.4297777,False
3395,COc1c(C(=O)NCCN2CCN(c3ccc[nH]3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7690647,False
3396,COc1ccccc1Oc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8347412,False
3397,CSc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8859449,False
3398,Cc1ccc(CN2CCN(c3ccc(C)cc3)C2=O)cc1,[*]N1CCN([*])C1=O,0.25709602,False
3399,Cc1cccc(N2CCN(CCN3CCN(C(C)C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8491269,False
3400,Cc1cccc2c1CN(CCN1CCN(c3cccc(C(F)(F)F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.71280193,False
3401,Cc1ccccc1N1CCN(CC2CCCCN2C)C1=O,[*]N1CCN([*])C1=O,0.4240375,False
3402,Cc1nc(C)c(N2CCN(CCN3Cc4ccccc4C3)C2=O)s1,[*]N1CCN([*])C1=O,0.80933136,False
3403,Nc1cccc(N2CCN(CC=CCNC(=O)c3ccc(Cl)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51601475,False
3404,O=C(NCC=CCN1CCN(c2ccc(CCF)c(O)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4469362,False
3405,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccno2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92757183,False
3406,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2ccoc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85789907,False
3407,O=C(NCC=CCN1CCN(c2ccccc2-c2ccc(F)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84888184,False
3408,O=C(NCc1cccc(C(F)(F)F)c1)N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.15283665,False
3409,O=C1N(CC(F)(F)C2CCNCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.4423175,False
3410,O=C1N(Cc2cc(Cl)ccc2Cl)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.29259512,False
3411,O=C1N(Cc2cc3ccccc3s2)CCN1c1nccs1,[*]N1CCN([*])C1=O,0.3587175,False
3412,O=C1N(Cc2ccc(C#Cc3ccccc3)cc2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.4432851,False
3413,CC(C)c1ccc2c(c1)N(CN1CCN(Cc3cccc(C(F)(F)F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.3488582,False
3414,CC(CN1Cc2ccccc2C1)N1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.43865293,False
3415,CC1(C)CC2CCC(C1)N(C(CN1CCN(c3ccc(Cl)cc3)C1=O)c1ccccc1)C2,[*]N1CCN([*])C1=O,0.37915495,False
3416,CC12CC(CC(N3CCN(c4cccc(Cl)c4)C3=O)C1)C(Nc1ccccc1)C2,[*]N1CCN([*])C1=O,0.27568865,False
3417,CCCN(CC)CN1CCN(c2ccccc2C#N)C1=O,[*]N1CCN([*])C1=O,0.3388034,False
3418,CCCN(CCC1CC(=O)C(=O)C=C1C)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52856845,False
3419,CCCN(Cc1ccc(C(N)=O)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46156666,False
3420,CN(C)CC1CCCCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.48579124,False
3421,CN(C)Cc1cccc(N2CCN(C3CCCOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.25324348,False
3422,CN1CCCCCC1N1CCN(C2CCOOC2)C1=O,[*]N1CCN([*])C1=O,0.24316467,False
3423,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(C)cc2O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3976341,False
3424,COc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78681105,False
3425,COc1ccc(-c2cncc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39436907,False
3426,COc1cccc(N2CCN(CCCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.79524344,False
3427,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(Br)c3cccc(OC)c3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4285693,False
3428,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3)c(C)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35236764,False
3429,COc1ccccc1N1CCN(CCN2CC3CCCc4ccccc4CC2CC3)C1=O,[*]N1CCN([*])C1=O,0.5459322,False
3430,Cc1cccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)s3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41148654,False
3431,O=C(NCC=CCN1CCN(c2cc(OCCF)cc3cc(O)ccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59071153,False
3432,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47430646,False
3433,O=C(NCC=CCN1CCN(c2ccc(-c3cnc[nH]3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4409191,False
3434,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c[nH]c(-c2ccc(Cl)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8579098,False
3435,O=C(NCC=CCN1CCN(c2cn[nH]c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45938426,False
3436,O=C1N(CCc2cccc(Cl)c2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.42620847,False
3437,O=C1N(Cc2cccc(Cl)c2)CCN1CC1CCc2ccc(F)cc2C1,[*]N1CCN([*])C1=O,0.47955993,False
3438,O=C1N(Cc2cccc(Cl)c2)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.33640072,False
3439,O=C1N(Cc2ccccc2)CCN1CC1CCCCCN1,[*]N1CCN([*])C1=O,0.39284426,False
3440,O=C1N(c2cccc3c2CC2CCC(CC3)CN2)CCN1c1cccc2sccc12,[*]N1CCN([*])C1=O,0.3122096,False
3441,CC(C)N1CCN(Cc2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.364343,False
3442,CC1CCCC(N2CCN(c3ccc(F)c(Cl)c3)C2=O)N1,[*]N1CCN([*])C1=O,0.24623819,False
3443,CCCCN(CC)C1COc2c(cccc2OC(=O)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.30706257,False
3444,CCCN(OC)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.63300246,False
3445,CCCOc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.773629,False
3446,CCCc1ccc(SC)c(C(=O)NCC2CCCN2C)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24528933,False
3447,CCCc1cccc2c1OCC(N(CCC)c1ccc(C(=O)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.37899494,False
3448,CCCc1cccc2c1OCC(N(CO)C(=O)c1ccc(-c3ccccc3)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.24656913,False
3449,CCCc1cccc2c1OCC(N(COC)c1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5427011,False
3450,CCOc1c(OC)cccc1N1CCN(CC=CCNC(=O)c2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5998142,False
3451,CN1CC2CCC1(C)C(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.70576763,False
3452,CNc1c(C(=O)NCCN2CCN(c3cccc(OC)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7522526,False
3453,COCN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.2929557,False
3454,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(Cl)c2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39421216,False
3455,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccccc2=O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.52960265,False
3456,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C2CCN(Cc3ccccc3)C2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.49497035,False
3457,COc1c(C(=O)NCCN2CCN(c3ccccc3O)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.841793,False
3458,COc1ccc(CN2CCN(C3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.5216889,False
3459,COc1cccc2c1CCC(C(=O)NCC=CCN1CCN(c3cccc(Cl)c3Cl)CC1)C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6984245,False
3460,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(O)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9375419,False
3461,Cc1ccccc1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.41430947,False
3462,O=C(C=Cc1ccccc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.767347,False
3463,O=C(CCOCCF)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7028846,False
3464,O=C(NCC=CCN1CCN(c2cc(-c3ccc(O)cc3)co2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3813783,False
3465,O=C(NCC=CCN1CCN(c2ccc3cccc(O)c3n2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41096765,False
3466,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccc1CCc1ccc(cc1)CO2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70785546,False
3467,O=C(NCC=CCN1CCN(c2ccccc2CF)CC1)c1ccc(-c2ccccc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78495926,False
3468,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7852409,False
3469,O=C1N(CCN2CCc3ccsc3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.55681807,False
3470,O=C1N(CCOc2ccccc2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.42873758,False
3471,O=C1N(Cc2ccc(Cl)cc2)CCN1C1CCCCC1c1ccccc1,[*]N1CCN([*])C1=O,0.4123367,False
3472,O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.3767341,False
3473,O=C1N(c2ccc(F)cc2)CCN1c1cccc(CN2CCCCCC2)c1,[*]N1CCN([*])C1=O,0.42162108,False
3474,CC(C)N(Cc1ccccc1)CN1CCN(C2CCCCC2)C1=O,[*]N1CCN([*])C1=O,0.29423806,False
3475,CC1CCCC12CCCCN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.7953589,False
3476,CCCCN(CC)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.631854,False
3477,CCCCN(CC)C1COc2c(cccc2-n2cccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.55706793,False
3478,CCCCN(O)C1COc2c(cccc2C2CCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5207001,False
3479,CCCN(CCC)C1COc2c(cccc2OS(=O)(=O)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6963307,False
3480,CCCN(CCC)C1COc2c(cccc2S(=O)(=O)[O-])C1,[*]CN([*])C1COc2c([*])cccc2C1,0.67125595,False
3481,CCN(CCCNC(C)=O)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3187673,False
3482,CCNCCN1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.42461658,False
3483,CCOc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.86335844,False
3484,CCSN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17165394,False
3485,CCc1ccc(C)c(C(=O)NCC2CCCN2Cl)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18213463,False
3486,CCc1ccc(F)c(OBr)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18646039,False
3487,CN1CCCCC1CN1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.4812734,False
3488,CN1CCc2ccc(CN3CCN(c4cc5ccccc5s4)C3=O)cc21,[*]N1CCN([*])C1=O,0.48831803,False
3489,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2Cc2cccc(N3CCN(OC)CC3)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.5769558,False
3490,COc1cc(Br)cc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9113847,False
3491,COc1cccc2c(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)coc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7314079,False
3492,COc1oc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1-c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40155756,False
3493,CSc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42245042,False
3494,Cc1ccccc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36031526,False
3495,Nc1cc(CCF)ccc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68581307,False
3496,O=C(NCC=CCN1CCN(C2=C3C=CC=CC=C3c3ccccc3Cc3ccccc3C=C2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39641786,False
3497,O=C(NCC=CCN1CCN(COCc2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.29940036,False
3498,O=C(NCC=CCN1CCN(c2cccc(-c3ccc(F)cc3)n2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4094367,False
3499,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NCc1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8466472,False
3500,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccccn12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8665818,False
3501,O=C(NCC=CCN1CCN(c2cccc(Oc3ccccc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42912683,False
3502,O=C(NCC=CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3702949,False
3503,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ncccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8134388,False
3504,O=C1N(CC2CCCCC2OCc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5821903,False
3505,O=C1N(Cc2ccc(Cl)cc2)CCN1CC1CCCc2sccc21,[*]N1CCN([*])C1=O,0.37853014,False
3506,CC(=O)CN(C(C)C)C1COc2c(cccc2C2CCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.25420043,False
3507,CC(C)(C)C1CCC2(CC1)CN2CN1CCN(c2cccnc2)C1=O,[*]N1CCN([*])C1=O,0.2771389,False
3508,CC(C)N1C=Cc2ccccc2C(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.5158781,False
3509,CC(C)N1CCN(CCN2CCN(c3ccc(F)cc3C#N)C2=O)CC1,[*]N1CCN([*])C1=O,0.67634594,False
3510,CC(C)NC1CCC(CN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.29738048,False
3511,CC(C)Oc1cccc(N2CCN(c3cccc(C(C)C)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.13152829,False
3512,CC(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccs1,[*]N1CCN([*])C1=O,0.36548275,False
3513,CC12Cc3ccccc3CCC(C1)N(CCN1CCN(c3cccc(Cl)c3F)C1=O)C2,[*]N1CCN([*])C1=O,0.42418432,False
3514,CCCN(CCCC1(C(=O)O)CCCCC1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.55422944,False
3515,CCCN(c1ccc(OC)cc1)C1COc2c(CC(C)C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5749566,False
3516,CCCc1cccc2c1OCC(N(CC)Cc1cc(C)on1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.49891052,False
3517,CCCc1cccc2c1OCC(N(CCC)S(=O)(=O)c1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.57634735,False
3518,CCCc1cccc2c1OCC(N(CO)C1CCCC3(CC(=O)CC(=O)C3)C1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.25856268,False
3519,CCN(C)Cc1cccc(N2CCN(c3cc(Cl)cc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.32186222,False
3520,CCOc1c(C)ccc(Br)c1C(=O)NCC1CCCN1O[O-],[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.13947636,False
3521,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(F)c3Cl)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82760864,False
3522,COc1cccc(O)c1C(=O)NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38810858,False
3523,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C)nc2-c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82327354,False
3524,Cc1ccccc1N1CCN(CCC2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.48103192,False
3525,Nc1cc(OCCF)ccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90019876,False
3526,O=C(NCC=CCN1CCN(c2c(Cl)ccc(Cl)c2Cl)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52472687,False
3527,O=C(NCC=CCN1CCN(c2cc3cccc(O)c3o2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4019333,False
3528,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4639791,False
3529,O=C(NCC=CCN1CCN(c2cccc(-c3ccccc3)n2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45624465,False
3530,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cc(O)c[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9352749,False
3531,O=C1N(CC2COOC2)CCN1CC1CCCCN1,[*]N1CCN([*])C1=O,0.35764492,False
3532,O=C1N(CCN2CC3CCCC(CC3)C2c2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6660719,False
3533,O=C1N(CCN2CCC(OC(F)(F)F)CC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.7193329,False
3534,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(F)c(Cl)cc1F,[*]N1CCN([*])C1=O,0.84395856,False
3535,CC(C)N1CCN(CCN2CCN(c3cccc(CC#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8636643,False
3536,CC1CCC2(CN3CCN(c4cccc(Cl)c4)C3=O)CCC(CC2)C1C,[*]N1CCN([*])C1=O,0.5084291,False
3537,CCCCN(C(=O)c1cccc(C(F)(F)F)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.19925311,False
3538,CCCCN(c1ccc(C(=O)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3338194,False
3539,CCCN(CC(C)C)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6945426,False
3540,CCCN(Cc1ccccc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6608198,False
3541,CCCN(Cc1cccs1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56092745,False
3542,CCCN(O)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48906636,False
3543,CCN1CCCC1CNC(=O)c1c(COC)ccc(C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8646744,False
3544,CCc1ccc(O)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9659498,True
3545,CN(C)CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7624739,False
3546,CN(CCN1CCN(c2ccc(Cl)c(Cl)c2)C1=O)Cc1cccs1,[*]N1CCN([*])C1=O,0.6886777,False
3547,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(OCCF)c3F)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5713555,False
3548,COc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)cc1C,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8206947,False
3549,COc1ccc2ncc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)nc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80600095,False
3550,COc1cccc(N2CCN(CCn3c4ccccc4c4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.5914702,False
3551,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Oc3cccc(OCCF)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9492624,False
3552,COc1ccn(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9377416,False
3553,COc1ccn(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4122139,False
3554,Cc1ccc(O)cc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73978597,False
3555,N#Cc1ccccc1N1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.26285177,False
3556,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)c(F)c2)CC1)c1c(Cl)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4407396,False
3557,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1ccccc1C(F)(F)F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5336629,False
3558,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(OCCF)c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88378125,False
3559,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1c[nH]c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44898948,False
3560,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47302192,False
3561,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2cc(OCCF)ccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9250857,False
3562,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2cccc(O)c2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.865798,False
3563,O=C1N(CC2CCCNC2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.45038563,False
3564,O=C1N(CCN2COC3CCC(Cc4ccccc4C3)C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.59118205,False
3565,CC1C2CCCC1(CNCCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.49461406,False
3566,CCCN(C(C)=O)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5357767,False
3567,CCCN(Cc1ccccc1)CN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.4486482,False
3568,CCCN1CCCC1CNC(=O)c1c(C)ccc(O)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.41368932,False
3569,CCCN1CCCCC1N1CCN(C)C1=O,[*]N1CCN([*])C1=O,0.29202518,False
3570,CCc1cccc2c1OCC(N(CC(=O)c1ccccc1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.25604898,False
3571,CN(Cc1cc2ccccc2s1)CN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.38061714,False
3572,COCC1CC2CCC(C1)N2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.77053463,False
3573,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8238276,False
3574,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(F)c4Cl)CC3)o2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34571323,False
3575,COc1ccc(N2CCN(CCN3CCc4ccccc43)C2=O)cc1,[*]N1CCN([*])C1=O,0.50841486,False
3576,COc1ccc2c(c1)CC(C(=O)NCC=CCN1CCN(c3ccccc3OCCF)CC1)=CN2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74417996,False
3577,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Br)ccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84281665,False
3578,Cc1ccc(N2CCN(CC3CCC(NC(C)C)S3)C2=O)cc1,[*]N1CCN([*])C1=O,0.24852888,False
3579,Cc1cccc(F)c1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35984936,False
3580,O=C(CN1CCN(c2ccc3sccc3c2)C1=O)NCc1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.050823595,False
3581,O=C(NCC=CCN1CCN(c2c[nH]c(Cc3ccccc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38578942,False
3582,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6458803,False
3583,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4755017,False
3584,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2cc(Cl)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.859016,False
3585,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1[N+]CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8973654,False
3586,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1csc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8846545,False
3587,O=C(NCC=CCN1CCN(c2cccnc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69412977,False
3588,O=C(NCC=CCN1CCN(c2cccs2)CC1)c1cccc(Cl)c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44972306,False
3589,O=C1N(CCN2CC3CCCC2Cc2ccccc2C3)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.57301396,False
3590,O=C1N(CCN2CCCCc3ccccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.71537036,False
3591,O=C1N(CCN2Cc3ccccc32)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5197132,False
3592,O=C1N(CCOCc2ccc3c(c2)CCCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6616226,False
3593,O=C1N(Cc2ccccc2)CCN1C1CCCCCN1,[*]N1CCN([*])C1=O,0.29962656,False
3594,O=C1N(c2cccc(Cl)c2)CCN1C1c2ccccc2CC2CCC1CC2,[*]N1CCN([*])C1=O,0.4442571,False
3595,O=C1N(c2ccccc2)CCN1C1CCCCN1CCc1cccc(F)c1,[*]N1CCN([*])C1=O,0.36031955,False
3596,C#Cc1ccc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.40473896,False
3597,CC12CCC(CN3CCN(c4ccc(Cl)c(Cl)c4)C3=O)(CC1)C2,[*]N1CCN([*])C1=O,0.3552417,False
3598,CC1CCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.9453858,False
3599,CC1CCCc2ccc(N3CCN(c4ccc5ccccc5n4)C3=O)cc2N1,[*]N1CCN([*])C1=O,0.4121367,False
3600,CCCCN(CC)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5219865,False
3601,CCCc1cccc2c1OCC(N(CC)CCc1ccc(F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.66706824,False
3602,CCCc1cccc2c1OCC(N(CCC)C(O)Cc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5135322,False
3603,CCc1ccc(Br)c(C(=O)NCC2CCCN2SO)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23830536,False
3604,CCc1ccc(C)c(C(=O)NCC2CCCN2CS)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.4330879,False
3605,CCc1ccc(C)c(OCCSC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18033375,False
3606,CCc1ccc(C)c(OSC)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16273405,False
3607,COc1cc(OCCF)cc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44844,False
3608,COc1ccc(OCCF)c(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43254676,False
3609,COc1cccc(C(=O)NCC=CCN2CCN(c3cc4ccccc4[nH]3)CC2)c1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3703434,False
3610,COc1cccc(C=CCN2CCN(CC=CCNC(=O)c3ccccc3C)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.16282137,False
3611,COc1cccc(N2CCN(CCF)C2=O)c1,[*]N1CCN([*])C1=O,0.62831575,False
3612,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7116625,False
3613,Cc1cc(F)ccc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3735431,False
3614,Cc1coc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.80857354,False
3615,Nc1ccc(C(=O)NCC=CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45497304,False
3616,O=C(NCC=CCN1CCN(c2ccc(O)cc2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65649277,False
3617,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44198543,False
3618,O=C(NCC=CCN1CCN(c2ccc3c(c2)CCc2ccc(cc2)CCO3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30503118,False
3619,O=C1N(CC2CCc3cccnc3C2O)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.47336146,False
3620,O=C1N(CCN2CCC3=C(C=CCc4ccccc43)C2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.6041548,False
3621,O=C1N(CCN2CCCC2C(F)(F)F)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7629729,False
3622,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.7166069,False
3623,O=C1N(Cc2ccccn2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.29738283,False
3624,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.27126053,False
3625,O=C1N(c2cccc(Cl)c2)CCN1c1ccc2c(c1)Cc1ccccc1-2,[*]N1CCN([*])C1=O,0.4070106,False
3626,C#Cc1ccc(C(=O)CN(C(C)C)C2COc3c(CC)cccc3C2)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.2460859,False
3627,CC(C)CN1CC2(C)CC1CCCC2(C)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.47914186,False
3628,CC1CCCCN1Cc1ccccc1N1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.28894237,False
3629,CCCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.46987534,False
3630,CCN(CC(=O)c1ccoc1)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.34515625,False
3631,CCN1CCCC1CNC(=O)c1c(OC)ccc(CCSO)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.94511026,False
3632,CCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OCCO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6199183,False
3633,CCc1ccc(C)c(C(=O)NCC2CCCN2SC)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17877588,False
3634,CN(CCN1CCN(C2CCCOC2)C1=O)Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.39814046,False
3635,CN1CCCCC1CN1CCN(c2ccsc2)C1=O,[*]N1CCN([*])C1=O,0.5025014,False
3636,COCC1CCN(CN2CCN(Cc3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5363943,False
3637,COc1ccc(CN2CCCCC2CN2CCN(c3cccc(Cl)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.500339,False
3638,COc1ccc2cccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71155864,False
3639,COc1cccc(CCN2CCCC(CN3CCN(c4cccc(Cl)c4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.68675816,False
3640,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Cl)c(Cl)cc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9364503,False
3641,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Oc3ccc4ccccc4c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9101015,False
3642,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(OCCF)c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9510173,False
3643,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2N(C)c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86127037,False
3644,Cc1ccccc1C(=O)NCC=CCN1CCN(c2cc3ccccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3338017,False
3645,Cc1nc2c(N3CCN(c4ccc5c(c4)OCO5)C3=O)cccc2s1,[*]N1CCN([*])C1=O,0.19142587,False
3646,N#Cc1cccc(CNCN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.31137162,False
3647,O=C(NCC=CCN1CCN(c2c[nH]c(-c3ccccc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45308948,False
3648,O=C(NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2C3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54797393,False
3649,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(Cl)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9611942,False
3650,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(Cl)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91095215,False
3651,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1sccc1-c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8832278,False
3652,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(CCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90897995,False
3653,O=C1N(C2CCCNC2)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.23968537,False
3654,O=C1N(CCN2CCCc3sccc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.71910465,False
3655,O=C1N(Cc2ccc(Cl)cc2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.36466643,False
3656,O=C1N(c2ccccc2Cl)CCN1C1Cc2ccccc2CCC2CCN2C1,[*]N1CCN([*])C1=O,0.31700706,False
3657,CC(C)OC1CCCCc2cc(CN3CCN(c4cccc(Cl)c4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.50285554,False
3658,CCCCN(CC)C1COc2c(cccc2-c2cc(C(O)(F)F)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46506146,False
3659,CCCN(CCC1=CCC(=O)CC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.64914966,False
3660,CCCN(CCC1CCCC1)C1COc2c(cccc2Oc2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7250584,False
3661,CCCc1ccc(C)c(C(=O)NCC2CCCN2SC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15990505,False
3662,CCCc1cccc2c1OCC(N(CCC)c1ccco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.55798763,False
3663,CCOc1c(Cl)ccc(CO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21794134,False
3664,CCc1cccc2c1OCC(N(CC(C)C)c1cc(C(=O)O)co1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.23990501,False
3665,CN1CC(N2CCN(c3cccc(Cl)c3)C2=O)CCC1c1ccccc1,[*]N1CCN([*])C1=O,0.54582214,False
3666,COc1c(C(=O)NCCN2CCN(c3c(C)cccc3[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7310816,False
3667,COc1c(C(=O)NCCN2CCN(c3cccc4ccccc34)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.9269031,False
3668,COc1cc(C)ccc1CNCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.16697158,False
3669,COc1ccc(CNC(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80476135,False
3670,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)n3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4617896,False
3671,COc1cccc(OC)c1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9364604,False
3672,COc1ccccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9500735,False
3673,Cc1cccc(CN(C)CCN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.61763054,False
3674,Cc1cccc(N2CCN(C3CCNCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.2704869,False
3675,Cc1ccccc1-c1c(C(=O)NCCN2CCN(O[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.36919948,False
3676,O=C(NCC=CCN1CCN(C2c3ccccc3-c3ccccc3C2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37424663,False
3677,O=C(NCC=CCN1CCN(c2cc[nH]c2-c2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65569496,False
3678,O=C(NCC=CCN1CCN(c2ccc(-c3cccnc3F)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48165026,False
3679,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1cc2ccccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5243639,False
3680,O=C(NCC=CCN1CCN(c2ccc(Oc3ccccc3)c(OCCF)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42457235,False
3681,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccncc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97553647,True
3682,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc(-c2ccc(F)cc2)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7947129,False
3683,O=C1N(CCN2CCCCc3sccc3C2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.5989714,False
3684,O=C1N(CCOCC2CCCCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.51273733,False
3685,O=Cc1[nH]ccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8711877,False
3686,CC1(C)CCOc2cc(N3CCN(c4ccc(Cl)cc4)C3=O)ccc2[S+]1,[*]N1CCN([*])C1=O,0.18185802,False
3687,CCCN(C(C)=O)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.34663033,False
3688,CCCN(CCC)C1COc2c(cccc2-c2ccc(C(F)(F)F)cn2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.760303,False
3689,CCN(CC(=O)c1ccoc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.31209666,False
3690,CCN1CCCC1CNC(=O)c1c(C)ccc(O)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7418411,False
3691,CN(Cc1ccc2ccccc2c1)CN1CCN(c2cccnc2)C1=O,[*]N1CCN([*])C1=O,0.28323352,False
3692,COc1c(C(=O)NCCN2CCN(c3ccc(C)cc3[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.77348465,False
3693,COc1c(C(=O)NCCN2CCN(c3cccc([O-])c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.78550434,False
3694,COc1ccc(CNCN2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.25555044,False
3695,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(C)ccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31337133,False
3696,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(F)cc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6133584,False
3697,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc3ccnn23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39647305,False
3698,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccnc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9488306,False
3699,Cc1ccc(N2CCN(CC3CCCCCN3C)C2=O)cc1,[*]N1CCN([*])C1=O,0.3620505,False
3700,NC1CCC(CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.70266074,False
3701,O=C(C=Cc1ccc([N+](=O)[O-])cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71840656,False
3702,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1nc2ccccc2s1,[*]N1CCN([*])C1=O,0.13214777,False
3703,O=C(NCC=CCN1CCN(C2OCCc3ccccc32)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3887729,False
3704,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccc(F)cc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9491938,False
3705,O=C(NCC=CCN1CCN(c2cccc([N+](=O)c3ccccc3)n2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.421319,False
3706,O=C(NCC=CCN1CCN(c2cccc3c2Cc2ccccc2NC3=O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.62239796,False
3707,O=C(NCC=CCN1CCN(c2cccc3ccccc23)CC1)c1cccc(Cl)c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69256234,False
3708,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc2cc[nH]c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9252647,False
3709,O=C(NCC=CCN1CCN(c2coc3ccccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4215753,False
3710,O=C(NCc1cc2ccccc2s1)NCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.20797671,False
3711,O=C1N(CC2NCCO2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.32672608,False
3712,O=C1N(CCN2CCC3=CC=CC=C(C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.68998957,False
3713,O=C1N(CCN2CCCC3CCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.80472934,False
3714,O=C1N(CCN2CCN(Cc3cc4ccccc4s3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7164662,False
3715,O=C1N(CNCC2CCCCC2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.1842018,False
3716,O=C1N(Cc2ccsc2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.29924107,False
3717,CC(C)N1CCN(C(CF)CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.48374003,False
3718,CC1(C)CCNC(CN2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.44789115,False
3719,CC1(C)Cc2ccccc2N1CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.452147,False
3720,CC1CCc2ccccc2N1CCN1CCN(c2ccccc2F)C1=O,[*]N1CCN([*])C1=O,0.5140053,False
3721,CCCN(C)Cc1cccc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.43326172,False
3722,CCCN(Cc1cccs1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53290844,False
3723,CCCc1cccc2c1OCC(N(CO)NC(=O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.2809324,False
3724,CCN(CC(C)C)C1COc2c(cccc2-c2cccnc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46121964,False
3725,CCN(O)CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.65197486,False
3726,CCN1CCCC1CNC(=O)c1c(C)ccc(CCCF)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.646257,False
3727,CN(CCN1CCN(c2cccc(F)c2)C1=O)CC12CC(CCC1(C)C)C2,[*]N1CCN([*])C1=O,0.70783377,False
3728,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(C)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3529709,False
3729,CON=C(CN1CCN(c2cccc(Cl)c2)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3732195,False
3730,COc1ccc(-c2c[nH]c(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48572123,False
3731,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.912858,False
3732,COc1cccc(CNCN2CCN(c3cccc(C(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.30264705,False
3733,COc1cccc(N2CCN(CC3CCCCN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.6071537,False
3734,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccc(F)cc3)co2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9021765,False
3735,Cc1cccc(CN2CCN(c3ccccc3)C2=O)n1,[*]N1CCN([*])C1=O,0.22447237,False
3736,Nc1sccc1CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.3948034,False
3737,O=C(CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O)NC1CCCCc2ccccc21,[*]N1CCN([*])C1=O,0.18330386,False
3738,O=C(NCC=CCN1CCN(c2ccc(CO)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47899008,False
3739,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccc(-c2ccc(O)cc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4582789,False
3740,O=C(NCC=CCN1CCN(c2ccc[nH]2)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45729697,False
3741,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(F)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.977101,False
3742,O=C1N(CC2CCCCN2)CCN1c1cc(-c2ccccc2)cs1,[*]N1CCN([*])C1=O,0.48751476,False
3743,O=C1N(CCN2CCCc3ccccc32)CCN1Cc1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.40173137,False
3744,O=C1N(CCN2CCN(C3CCCCC3)C2=O)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5545839,False
3745,O=C1N(CCON2Cc3ccccc3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.45420033,False
3746,O=C1N(c2ccc(Cl)cc2)CCN1c1ccccc1OCC1CCCNC1,[*]N1CCN([*])C1=O,0.29778475,False
3747,CC(C)Oc1cccc(N2CCN(C34CCCC(N(C)C3)C(C)(C)C4)C2=O)c1,[*]N1CCN([*])C1=O,0.20285273,False
3748,CC1CCNCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.43175274,False
3749,CCCC1CN(CCN2CCN(c3ccccc3C)C2=O)CC2CC1C2,[*]N1CCN([*])C1=O,0.48637494,False
3750,CCCc1ccc(CC)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9061771,False
3751,CCCc1cccc2c1OCC(N(CF)Cc1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6608635,False
3752,CCN(CCC(F)(F)F)C1COc2c(cccc2-c2csc(C)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42725953,False
3753,CCN1CCCC1CNC(=O)c1c(OC)ccc(S(N)(=O)=O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8498927,False
3754,CCON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2Cl)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4410663,False
3755,CCOc1c(CCCF)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22919767,False
3756,CCc1ccc(C)c(OCl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18597591,False
3757,CN(CCN1CCN(c2ccccc2)C1=O)Cc1cccnc1,[*]N1CCN([*])C1=O,0.5102398,False
3758,COCC1CCCC2C1CCN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7937506,False
3759,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2[N+](=O)c2ccccc2Cl)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39962673,False
3760,COc1ccc(-c2cccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4415125,False
3761,COc1cccc(N2CCN(CCN(C)CC34CCCC(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.7845296,False
3762,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C#N)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95005536,False
3763,Cc1cccc(N2CCN(CCN3c4ccccc4CC4CCCCC43)C2=O)c1,[*]N1CCN([*])C1=O,0.5951036,False
3764,NC(CN1CCN(CC2CCCc3ccccc32)C1=O)c1ccccc1,[*]N1CCN([*])C1=O,0.502096,False
3765,O=C(NCC=CCN1CCN(c2ccc3[nH]c(O)nc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48373803,False
3766,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(Br)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52462,False
3767,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97489184,False
3768,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc2[nH]ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8870455,False
3769,O=C1N(CC2Cc3ccsc3CN2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.49069142,False
3770,O=C1N(CCN2CCCc3ccccc32)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.5258369,False
3771,O=C1N(Cc2ccc3c(c2)C(O)CCCC3)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.400863,False
3772,O=C1N(Cc2ccccc2)CCN1CN1CCC(OCc2ccccc2)C1,[*]N1CCN([*])C1=O,0.636932,False
3773,O=CC1Oc2ccccc2C(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)N1c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28927577,False
3774,C=Cc1cccc2c1OCC(N(CC(C)C)c1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4692832,False
3775,CC(C)OC1CCC2(CCCCN(CCN3CCN(c4cccc(F)c4)C3=O)C2)C1,[*]N1CCN([*])C1=O,0.6196687,False
3776,CCCCN(CCC)C1COc2c(cccc2C(F)(F)c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6922632,False
3777,CCCN(CCC)C1COc2c(cccc2-c2cc[nH]c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.84192467,False
3778,CCCc1cccc2c1OCC(N(CCC)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6794672,False
3779,CCN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.2626762,False
3780,CCNC(CN1CCN(c2ccccc2)C1=O)c1ccccc1,[*]N1CCN([*])C1=O,0.25249755,False
3781,CCOc1c(SC)ccc(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.87240034,False
3782,CCc1cccc2c1OCC(N(CO)CCNC(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.34187323,False
3783,CN1CCCCCC1NCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.540538,False
3784,COC(C)CN1CCN(CCN2CCN(c3cc(Cl)ccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.60615265,False
3785,COCC1C2CCC1CN(CCN1CCN(c3cccc(OC)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.6508897,False
3786,COc1c(Br)cc(Br)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8690279,False
3787,COc1cc(OC)cc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.9208774,False
3788,COc1ccc2cc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40864387,False
3789,COc1cccc(-c2csc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3713478,False
3790,COc1ccccc1-c1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43375668,False
3791,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(O)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.61060023,False
3792,COc1ccccc1N1CCN(CC=CCNC(=O)c2c(F)cccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81808907,False
3793,Cc1cccc(N2CCN(CC3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.6026279,False
3794,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccsc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79040813,False
3795,NON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3883865,False
3796,O=C(NCC=CCN1CCN(c2cc(-c3ccsc3)co2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4054542,False
3797,O=C(NCC=CCN1CCN(c2ccc(O)c(-c3ccccc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48066714,False
3798,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(Cl)c([N+](=O)[O-])cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86168927,False
3799,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)NC(=O)c1ccc(CCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8675071,False
3800,O=C1N(CC2NCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6482954,False
3801,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(Cl)cc1C(F)(F)F,[*]N1CCN([*])C1=O,0.85678315,False
3802,O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1CC1CNCN1c1ccccc1,[*]N1CCN([*])C1=O,0.3908991,False
3803,CC(C)CN1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.46796063,False
3804,CC(C)N1CCN(CCN2CCN(C3CCOOC3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5187765,False
3805,CC1c2ccccc2CN1CCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.6911193,False
3806,CCCCN(Cc1ccoc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5369055,False
3807,CCCc1cccc2c1OCC(N(CC)Cn1ccc(C(F)(F)F)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6258024,False
3808,CCN(CCC(C)C)C1COc2c(C#N)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.50609154,False
3809,CCN(Cc1ccc(Cl)cc1)CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7746935,False
3810,CCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OS(C)=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.68139285,False
3811,CCc1ccc(C)c(C(=O)NCC2CCCN2SC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20307027,False
3812,CCc1ccc(C)c(OCCOC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19219877,False
3813,CN(C)C(CN1CCN(CCN2Cc3ccccc3C2)C1=O)c1ccccc1,[*]N1CCN([*])C1=O,0.7895158,False
3814,CN(Cc1ccc2sccc2c1)CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.30225244,False
3815,CN1CCCCC1CNCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.58250904,False
3816,COc1c(OCCF)cccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6867331,False
3817,COc1ccc(-c2cccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41823983,False
3818,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3OC)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6794349,False
3819,COc1cccc(C2CCCN(CN3CCN(c4ccc(F)cc4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.6025915,False
3820,COc1cccc2nc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45062917,False
3821,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cccc(O)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4035775,False
3822,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(OC)c(Br)c(OC)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94957554,False
3823,N#Cc1c(F)cccc1N1CCN(CCCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.70578414,False
3824,N#Cc1cccc(N2CCN(CCN3CCCCC3c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.5298599,False
3825,Nc1cc(OCCF)cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92247945,False
3826,O=C(NCC=CCN1CCN(c2cc(Oc3cccc(F)c3)c[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45450234,False
3827,O=C(NCC=CCN1CCN(c2cc3ccccc3o2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44825923,False
3828,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(Cl)cn3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50740415,False
3829,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cnc(O)[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9738867,False
3830,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccc(F)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9490046,False
3831,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(CO)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.98798287,False
3832,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCc2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9334566,False
3833,O=C1N(CC(=O)N2Cc3ccccc3C2CF)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.38185802,False
3834,O=C1N(CCN2CCCCC3CCC32c2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.69373405,False
3835,O=C1N(CCNCc2cccnc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.45703572,False
3836,CC1(C)CN(CCN2CCN(c3cccc(F)c3)C2=O)Cc2ccccc21,[*]N1CCN([*])C1=O,0.7802323,False
3837,CC1(CN2CCN(c3cccc(Cl)c3)C2=O)CCCCN1,[*]N1CCN([*])C1=O,0.42436796,False
3838,CC12CCC(CNC1)C2N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.3674785,False
3839,CC1CCN(CCN2CCN(CC3CCOOC3)C2=O)CC1,[*]N1CCN([*])C1=O,0.47758144,False
3840,CCCN(C(C)C)C1COc2c(cccc2-c2ccc3[nH]ccc3c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5301832,False
3841,CCCc1cccc2c1OCC(N(CC(C)=O)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.331405,False
3842,CCOCN1CCN(CCN2CCN(C)CC2)C1=O,[*]N1CCN([*])C1=O,0.46654883,False
3843,CCOc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34820196,False
3844,CCc1ccc(OC)c(C(=O)NCC2CCCN2CCN)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.51053923,False
3845,CN(C)Cc1cccc(CN2CCN(c3ccccc3Cl)C2=O)c1,[*]N1CCN([*])C1=O,0.30177608,False
3846,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97573465,False
3847,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c2cccc-2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91129196,False
3848,COc1ccc(N2CCN(Cc3cccc(Cl)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.3196555,False
3849,COc1ccc2c(c1)CN(CCN1CCN(c3cc(Cl)cc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.64397883,False
3850,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc4ccccc4c3)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39561158,False
3851,COc1cccc(N2CCN(c3ccc4c(c3)CCCCC4)C2=O)c1,[*]N1CCN([*])C1=O,0.2664789,False
3852,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(OC)c2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9503007,False
3853,Cc1cc(F)ccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8014568,False
3854,Cc1cc[nH]c1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32720092,False
3855,Cc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccn3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35346228,False
3856,O=C(NCC=CCN1CCN(c2[nH]ccc2-c2ccccc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43428004,False
3857,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)[nH]2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41397634,False
3858,O=C(NCC=CCN1CCN(c2ccc(OCF)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45892775,False
3859,O=C(NCC=CCN1CCN(c2ccc3c(c2)C=Cc2ccccc2CC3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41367593,False
3860,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1[nH]c(O)cc1-c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7906625,False
3861,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Br)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9721688,False
3862,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c[nH]c2cc(F)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8871274,False
3863,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1nc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5869016,False
3864,O=C1N(CCN2CCC3Cc4ccccc4CCC2C3)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.48133308,False
3865,O=C1N(CCN2CCc3ccsc3CC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5156517,False
3866,O=C1N(CCc2nc3ccccc3s2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6601605,False
3867,CC(C)N1CCCCC1CN1CCN(Cc2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.25437108,False
3868,CC(C)N1CCN(CCN2CCN(Cc3ccco3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5404629,False
3869,CCCN(CCC)C1COc2c(C=Cc3ccco3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.69948715,False
3870,CCN(Cc1ccc(C(C)(F)F)cc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.546202,False
3871,CN1CCCC1COCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.68907285,False
3872,COCC1Cc2ccccc2N1CN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.51770705,False
3873,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccco2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33125186,False
3874,COc1c(-c2ccccc2)cccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7001618,False
3875,COc1cc(Br)c(OC)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.859234,False
3876,COc1ccc(C)c(C(=O)NCC2CCCN2C)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1979692,False
3877,COc1ccc(N2CCN(C(=O)NCC=CCN3CCN(c4ccc(Cl)cc4)CC3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.26324543,False
3878,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6444405,False
3879,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(C)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79889923,False
3880,COc1cccc2scc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5461778,False
3881,COc1ccccc1C(=O)NCC=CCN1CCN(C2=CC=CC3=CC=CC=CC(=C3C)C=C2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.25504962,False
3882,Cc1cccc(N2CCN(CC3CC4CCC(C3)N4Cc3cccc(F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.49204192,False
3883,N#Cc1ccccc1N1CCN(CCN2CCc3sccc3C2)C1=O,[*]N1CCN([*])C1=O,0.55248284,False
3884,O=C(NCC=CCN1CCN(c2cc(-c3ccc(F)cc3)no2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38180792,False
3885,O=C(NCC=CCN1CCN(c2ccc(Oc3ccc(OCCF)cc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42046708,False
3886,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc[nH]c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8964145,False
3887,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(F)c2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92266685,False
3888,O=C(NCC=CCN1CCN(c2ccccc2-c2ccsc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84512657,False
3889,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc2c1-c1ccccc1CC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7819308,False
3890,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(O)[nH]c1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9032061,False
3891,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5246724,False
3892,O=C(NCC=CCN1CCN(c2cncc3ccccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5792961,False
3893,O=C(NCC=CCN1CCN(c2nc3ccccc3[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4442418,False
3894,O=C1N(CC2CCCCO2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.28806165,False
3895,O=C1N(CCN2CCCc3ccsc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.7221979,False
3896,O=C1N(CCNCC2CCCCC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.3823964,False
3897,CC(C)c1cccc(N2CCN(C3CCCN4CCCOCC34)C2=O)c1,[*]N1CCN([*])C1=O,0.18734105,False
3898,CC12CCCC(C1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.77986085,False
3899,CC1CCN(CCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7808126,False
3900,CCCc1cccc2c1OCC(N(CC(C)=O)C1CCCC(=O)C1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.23869622,False
3901,CCN(CC(C)C)C1COc2c(cccc2-c2cc[nH]c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6202923,False
3902,CCON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(OC)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3280362,False
3903,CCc1ccc(C)c(OCO)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16477048,False
3904,CCc1ccc(C)c(OOC)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16397555,False
3905,CCc1ccc(OC)c(C(=O)NCC2CCCN2Cl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2716429,False
3906,CCc1cccc2c1OCC(N(CC)CC(=O)c1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3189926,False
3907,CNCC12CCC(CC(C)(CN3CCN(c4cccc(Cl)c4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.5081992,False
3908,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc([N+]([O-])=[N+]=O)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34978923,False
3909,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc3c(c2)OCO3)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3018081,False
3910,COc1c(C(=O)NCCN2CCN(C3=CC=CC=C(c4ccccc4)[N+]C=C3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.71989673,False
3911,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cc3ccccc3s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7249404,False
3912,COc1cccc(F)c1C(=O)NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28731507,False
3913,COc1ccccc1CN(C)CN1CCN(c2cccc(OC(C)C)c2)C1=O,[*]N1CCN([*])C1=O,0.35793096,False
3914,O=C(NCC=CCN1CCN(c2cc(O)ccc2Br)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6619726,False
3915,O=C(NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2-3)CC1)c1cccc([N+](=O)[O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41894543,False
3916,O=C(NCC=CCN1CCN(c2ccc3ccccc3n2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3963553,False
3917,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(O)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8093581,False
3918,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ncc[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8596626,False
3919,O=C1N(CC2CCCNC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.35541028,False
3920,O=C1N(CC2COCCN2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.28914747,False
3921,O=C1N(CCN2C3CCCC2Cc2ccccc2CC3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.47092682,False
3922,O=C1N(CCN2CCCCc3sccc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.58458143,False
3923,O=C1N(CCc2cccs2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7232971,False
3924,O=C1N(Cc2ccccc2)CCN1c1ccc2c(c1)Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.4541544,False
3925,O=C1N(c2ccccc2)CCN1C1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.34787193,False
3926,C#Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47783604,False
3927,CCCCc1ccc(C)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7880264,False
3928,CCCN(CC)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.64475495,False
3929,CCCN(CO)C1COc2c(CCCN3C(=O)CC4CCCCC4CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47086972,False
3930,CCCc1cccc2c1OCC(N(CC)Cc1cscc1OC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.61925536,False
3931,CCCc1cccc2c1OCC(N(CCC)c1ccc(C)o1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5926292,False
3932,CN(CCN1CCN(Cc2ccc(F)c(Cl)c2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.5075463,False
3933,CN(CCN1CCN(c2ccccn2)C1=O)Cc1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.42361766,False
3934,CN(CCO)CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7391003,False
3935,CN1CCCCC1CN1CCN(c2ccc(Cl)c(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.5698379,False
3936,CN1CCNCC1CN1CCN(Cc2ccc3ccccc3c2)C1=O,[*]N1CCN([*])C1=O,0.38249466,False
3937,CNc1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.74652356,False
3938,COCC1C2Cc3ccccc3CC1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.74947125,False
3939,COc1c(C(=O)NCCN2CCN(c3ccncc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.90417635,False
3940,COc1ccc(O)c(C(=O)NCC2CCCN2C)c1OCCc1ccccc1,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2587405,False
3941,COc1ccc2[nH]c(N3CCN(CC=CCNC(=O)c4ccccc4CF)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32925466,False
3942,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(Br)ccc2OC(C)C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53737503,False
3943,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccc(F)cc3)ccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84259933,False
3944,Cc1ccccc1-c1c(C(=O)NCCN2CCN(N)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3801968,False
3945,O=C(CN1CCN(Cc2ccc(F)cc2)C1=O)NCc1cccc2ccccc12,[*]N1CCN([*])C1=O,0.091042146,False
3946,O=C(NCC=CCN1CCN(c2c[nH]c3cccc(OCCF)c23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6027689,False
3947,O=C(NCC=CCN1CCN(c2cc3nc(O)ccc3cc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6007229,False
3948,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47595719,False
3949,O=C(NCC=CCN1CCN(c2ccc(F)cn2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42114756,False
3950,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc([N+](=O)[O-])c(Br)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91531336,False
3951,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9791852,True
3952,O=C1N(CCN2CC3CCC(COC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7862081,False
3953,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)C(O)CCC2,[*]N1CCN([*])C1=O,0.81076914,False
3954,O=C1N(CCOCc2ccccc2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5441917,False
3955,CC(CN1CCN(Cc2cc3ccccc3s2)C1=O)N1CCc2ccccc21,[*]N1CCN([*])C1=O,0.27399516,False
3956,CC1CCCN(CCN2CCN(c3ccc(F)c(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.74305123,False
3957,CCCN(C(C)C)C1COc2c(cccc2C(O)c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43690783,False
3958,CCCc1cccc2c1OCC(N(CCC)C(=O)c1cc(C(O)(F)F)co1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4220249,False
3959,CCN1CCN(CCN2CCN(C)CC2)C1=O,[*]N1CCN([*])C1=O,0.52228993,False
3960,CCOc1c(F)ccc(Cl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2593863,False
3961,CCOc1c(OC)ccc(SN)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24543132,False
3962,CCOc1cccc(N2CCN(CCN3C=Cc4ccsc4CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.40740737,False
3963,CCc1cccc2c1OCC(N(CC)CS(=O)(=O)c1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.33715072,False
3964,CCc1cccc2c1OCC(N(Cc1ccsc1)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.2902068,False
3965,CNCC1CCCC(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.49772108,False
3966,COCN1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.46822855,False
3967,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cc[s+](C)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.40481237,False
3968,COc1c(C(=O)NCCN2CCN(c3ccccc3F)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.6685558,False
3969,COc1c(C(=O)NCCN2CCN(c3ccccc3[N+]([O-])=[N+]=O)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.80759215,False
3970,COc1ccc2c(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8980115,False
3971,Cc1ccc(N2CCN(Cc3ccccn3)C2=O)cc1,[*]N1CCN([*])C1=O,0.21123901,False
3972,N#Cc1cccc(N2CCN(C3Cc4ccccc4N3)C2=O)c1,[*]N1CCN([*])C1=O,0.51800483,False
3973,O=C(NCC=CCN1CCN(c2ccc(F)cc2)CC1)c1cccc(F)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4943432,False
3974,O=C(NCC=CCN1CCN(c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38912842,False
3975,O=C(NCC=CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1OCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39503375,False
3976,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ncccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.8881729,False
3977,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34055603,False
3978,O=C1N(CC2CCCN(CCc3ccccc3)CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.69935143,False
3979,O=C1N(CC2NCCc3ccccc32)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.587784,False
3980,O=C1N(CCN2CCCC(C(F)(F)F)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.62213206,False
3981,O=C1N(CCN2CCCCC23COc2ccccc2C3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5030142,False
3982,O=C1N(CCN2Cc3ccccc3C2)CCN1COCc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.7828968,False
3983,O=C1N(CCOCc2cccc(Cl)c2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5622219,False
3984,O=C1N(CCc2cccc(Cl)c2)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.8215438,False
3985,CC(C)NCc1cccc(N2CCN(c3ccccc3F)C2=O)c1,[*]N1CCN([*])C1=O,0.21997575,False
3986,CC(C)OCc1cccc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3944529,False
3987,CC(C)c1cccc(CN2CCN(c3cccc(C#N)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.39707077,False
3988,CC(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCCCC1(C)C,[*]N1CCN([*])C1=O,0.4772999,False
3989,CC1(CN2CCN(Cc3ccc(F)cc3)C2=O)CCCCC1,[*]N1CCN([*])C1=O,0.28233606,False
3990,CCCN(CCC)C1COc2c(cccc2S(=O)(=O)c2cc(C(F)(F)F)ccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.72901064,False
3991,CCCN(Cc1ccccc1)C1COc2c(COC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.68556774,False
3992,CCCc1cccc2c1OCC(N(CC)Cc1ccc(C(C)(C)C)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.64765555,False
3993,CCc1cccc2c1OCC(N(CC)CS(=O)(=O)c1ccc(C(C)(C)C)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.33715072,False
3994,CN(CCN1CCN(c2ccc(Cl)cc2)C1=O)Cc1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.46182626,False
3995,COc1c(C(=O)NCCN2CCN(c3ccccc3OC(C)C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.916607,False
3996,COc1ccc2cc(OC)c(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5754715,False
3997,COc1ccccc1C(=O)NCC=CCN1CCN(c2c[nH]c(-c3ccc(F)cc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40841755,False
3998,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cccnn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3457391,False
3999,Cc1ccc(CN2CCN(C3CCOC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.30504864,False
4000,Cc1ccc(N2CCN(CCN3Cc4ccccc4C(O)C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.55600977,False
4001,N#Cc1cccc(CN2CCN(c3ccccn3)C2=O)c1,[*]N1CCN([*])C1=O,0.31903538,False
4002,Nc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4875558,False
4003,O=C(CCOc1ccc(CCF)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66207266,False
4004,O=C(NCC=CCN1CCN(C=CCOc2cccc(Cl)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32525495,False
4005,O=C(NCC=CCN1CCN(Cc2ccc[nH]2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37147722,False
4006,O=C(NCC=CCN1CCN(c2c(Br)ccc3c[nH]cc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43147814,False
4007,O=C(NCC=CCN1CCN(c2c(Cl)ccc(Cl)c2Cl)CC1)c1cccc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45078003,False
4008,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5459532,False
4009,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccco1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4644049,False
4010,O=C(NCC=CCN1CCN(c2cccc(-c3cccs3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4640069,False
4011,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.839817,False
4012,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(-c2cccc(O)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88672966,False
4013,O=C1N(CCN2CCCc3sccc3CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7315344,False
4014,O=C1N(CN2CCCC(OCc3ccccc3)C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.51811236,False
4015,O=C1N(CN2CCN(Cc3cccc(F)c3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5547164,False
4016,O=C1N(Cc2ccc(F)c(Cl)c2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.27622843,False
4017,CC(C)CN(O)C1COc2c(cccc2C2CCC(=O)CC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3212793,False
4018,CCCCN(CC)C1COc2c(cccc2-n2ccc(C(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5360988,False
4019,CCCCN(CCC)C1COc2c(cccc2C(=O)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5882771,False
4020,CCCCN(c1ccc(C(F)(F)F)cc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4651795,False
4021,CCCN(CC1CCCC(=O)C1)C1COc2c(cccc2Oc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52021825,False
4022,CCCN(CCC)C1COc2c(cccc2C(=O)c2cc3ccccc3[nH]2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62237525,False
4023,CCCN(Cc1ccc(Br)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6829044,False
4024,CCCN(Cc1ccc(S(=O)(=O)C(F)(F)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46361506,False
4025,CCCc1cccc2c1OCC(N(CO)CCCN1C(=O)CCC3(CCCC3)CC1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.50380945,False
4026,CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1CC=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.34943655,False
4027,CCOc1c(C=O)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22502238,False
4028,COCCN1CCCCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5235036,False
4029,COc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c2ccccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8201247,False
4030,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c2nc(O)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5488889,False
4031,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(F)cc3)CC2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36276922,False
4032,COc1cccc(N2CCN(CC(C)N3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.26890332,False
4033,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc([N+](=O)[O-])c(OC)c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4595356,False
4034,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3ccsc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.29458869,False
4035,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3ccccc3cc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9362848,False
4036,Cc1cccc2c1C(=O)N(CCN1CCN(Cc3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.49574515,False
4037,N#Cc1cccc(N2CCN(CCNCc3cc4ccccc4s3)C2=O)c1,[*]N1CCN([*])C1=O,0.35689333,False
4038,O=C(NCC=CCN1CCN(c2ccc(CO)c(Cl)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49345168,False
4039,O=C(NCC=CCN1CCN(c2ccc([N+](=O)[O-])cc2F)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5353396,False
4040,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Br)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92463154,False
4041,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2[nH]c(O)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9347878,False
4042,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc2[nH]c(O)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6143769,False
4043,O=C(NCC=CCN1CCN(c2cccs2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4766437,False
4044,O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(C2CCCOC2)C1=O,[*]N1CCN([*])C1=O,0.075063445,False
4045,O=C1N(CCN2CCc3ccsc3CC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.6265074,False
4046,O=C1N(Cc2ccc(Cl)cc2)CCN1CC1CCNCC1,[*]N1CCN([*])C1=O,0.4489931,False
4047,O=C1N(Cc2cccc(Cl)c2)CCN1CN1CC2CCC1Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.4898104,False
4048,O=C1N(c2cc3ccccc3s2)CCN1C1CCCCC1c1ccccc1,[*]N1CCN([*])C1=O,0.2811816,False
4049,CC(C)(C)c1ccc(CN2CCN(c3ccc4c(c3)Cc3ccccc3C4)C2=O)cc1,[*]N1CCN([*])C1=O,0.5292407,False
4050,CC(C)(C)c1ccc(N2CCN(CCN3CCNCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.6333464,False
4051,CC1CC2Cc3ccccc3CC(C1)N2CCN1CCN(c2cccnc2)C1=O,[*]N1CCN([*])C1=O,0.47622147,False
4052,CCCCN(c1cccc2ccccc12)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42237183,False
4053,CCCN(C(C)C)C1COc2c(CCc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7034092,False
4054,CCCN(CCC)C1COc2c(cccc2-c2ccc(S(C)(=O)=O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6178116,False
4055,CCCc1ccc(C)c(OBr)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14361203,False
4056,CN(Cc1ccn2ccccc12)CN1CCN(c2ccccc2F)C1=O,[*]N1CCN([*])C1=O,0.3403213,False
4057,COc1c(C(=O)NCCN2CCN(C(=O)c3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.26861396,False
4058,COc1ccc2[nH]c(N3CCN(CC=CCNC(=O)c4ccccc4CCF)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35528117,False
4059,COc1ccc2[nH]cc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4F)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6041075,False
4060,COc1cccc(N2CCN(CCN3CC4CCCC3CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.62356406,False
4061,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)CCc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8775177,False
4062,COc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(C)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.78124356,False
4063,Cc1ccc(F)c(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8512794,False
4064,Cc1ccc(N2CCN(CCN3Cc4ccc(C#N)cc4C3)C2=O)s1,[*]N1CCN([*])C1=O,0.66671234,False
4065,Cc1cccnc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91113746,True
4066,N#Cc1cccc(CNC(=O)N2CCN(c3cccc(C(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.15302567,False
4067,O=C(NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44415912,False
4068,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)Nc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43299964,False
4069,O=C(NCC=CCN1CCN(c2ccccc2COCCF)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77369696,False
4070,O=C1N(CC2COCCN2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.27492246,False
4071,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(COC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.7895623,False
4072,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cncnc1,[*]N1CCN([*])C1=O,0.8453237,False
4073,O=C1N(CN2C3CCCCC2CCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5718214,False
4074,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1COCCN1,[*]N1CCN([*])C1=O,0.21403885,False
4075,O=C1N(c2ccc(Cl)cc2Cl)CCN1C1CCCCNC1,[*]N1CCN([*])C1=O,0.21539414,False
4076,O=C1N(c2ccc3sccc3c2)CCN1c1ccccc1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.4991849,False
4077,CC(C)N1CCN(CCN2CCN(CC3COOC3)C2=O)CC1,[*]N1CCN([*])C1=O,0.4668414,False
4078,CC1(C)CC2CCNCC2(CN2CCN(c3ccccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.3268563,False
4079,CCCCCC1C2CCC2CN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.68565553,False
4080,CCCCN(CC)C1COc2c(cccc2-c2c(OC)cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5118995,False
4081,CCCCN(CC)C1COc2c(cccc2-c2cccc(S(C)(=O)=O)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45149198,False
4082,CCCCc1cccc2c1OCC(N(CC)Cc1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.56223,False
4083,CCCOc1c(O)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21615723,False
4084,CCCc1cccc2c1OCC(N(CC)CCc1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6778868,False
4085,CCCc1cccc2c1OCC(N(CCC)COC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6132861,False
4086,CCCc1cccc2c1OCC(N(CCCN1C(=O)CC3(CCCC3)CC(=O)C1=O)COC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5274111,False
4087,CCc1cccc2c1OCC(N(CC(C)C)c1ccc(C(C)(C)O)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.35563597,False
4088,CN1CCCCC(N2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.50461376,False
4089,CN1Cc2ccccc2CC2CCC1CNC2N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5834772,False
4090,COc1ccc(-c2cccs2)cc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7593012,False
4091,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1N,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41774988,False
4092,COc1cccc(CC2CCN(CCN3CCN(c4ccccc4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.80607724,False
4093,COc1cccc(N2CCN(CC=CCNC(=O)COCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.27603167,False
4094,COc1cccc(N2CCN(CC=CCNC(=O)c3ccc(Cl)c(Cl)c3)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4217889,False
4095,COc1cccc(N2CCN(CCN3CCCc4cccnc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7367683,False
4096,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Br)cc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60230035,False
4097,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1-c1cccc(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6565797,False
4098,N#Cc1cc(N2CCN(CCN3CCN(c4ccccc4)C3=O)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.5186492,False
4099,O=C(NCC=CCN1CCN(c2cc(-c3ccccc3F)cs2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38077912,False
4100,O=C(NCC=CCN1CCN(c2ccc(-c3c[nH]cn3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.508476,False
4101,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1cc2ccccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51776516,False
4102,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NC(=O)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9099364,False
4103,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)CCc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88414556,False
4104,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc2c(c1)OCO2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66548264,False
4105,O=C1N(CCN2CCCOCC2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.4844189,False
4106,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc2occc2c1,[*]N1CCN([*])C1=O,0.72923166,False
4107,O=C1N(Cc2ccc(Cl)cc2)CCN1Cc1cccs1,[*]N1CCN([*])C1=O,0.34443086,False
4108,O=Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91040105,False
4109,CC(C)Oc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8474348,True
4110,CCCCCN(c1ccoc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53556174,False
4111,CCCCN(CC)C1COc2c(cccc2-c2ccc(C(=O)OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.34419864,False
4112,CCCCN(CCC)C1COc2c(cccc2-c2cccc(OC)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7173806,False
4113,CCCN(CCC)C1COc2c(CC(=O)c3ccoc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.58763856,False
4114,CCN(CO)C1COc2c(CCc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5492872,False
4115,CCOc1c(OSC)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20553404,False
4116,CN(C)c1ncccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9221096,False
4117,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3C(F)(F)F)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42720628,False
4118,COc1cccc(OC)c1N1CCN(CC=CCNC(=O)c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4081494,False
4119,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(N)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9363983,False
4120,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(O)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9368442,False
4121,Cc1c(C(=O)NCCN2CCN(C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.32740727,False
4122,Cc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1-c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3974086,False
4123,Cc1cccc(N2CCN(CCN3CCc4sccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6242907,False
4124,Cn1cccc1N1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.36679298,False
4125,Nc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3F)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7677804,False
4126,O=C(CNC(=O)c1ccccc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8197497,False
4127,O=C(NCC=CCN1CCN(C2Cc3cc(O)ccc3CO2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39889488,False
4128,O=C(NCC=CCN1CCN(c2ccc3c(c2)C=CC=CC3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3383233,False
4129,O=C(NCC=CCN1CCN(c2ccc3n[nH]cc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35071257,False
4130,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NCc1ccc([N+](=O)[O-])cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77129465,False
4131,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2ccsc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8186161,False
4132,O=C(NCC=CCN1CCN(c2cccc(Cl)n2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5018782,False
4133,O=C(NCC=CCN1CCN(c2cccc3c2C(O)CCc2ccccc2C3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66431516,False
4134,O=C(NCC=CCN1CCN(c2coc(-c3ccc(F)cc3)c2)CC1)c1cccc(OCCF)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41108412,False
4135,O=C1N(CC2CCCN3Cc4ccccc4CCCC23)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5583932,False
4136,O=C1N(CCCN2CCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5735482,False
4137,O=C1N(CCc2ccccc2)CCN1CC1CCCOC1,[*]N1CCN([*])C1=O,0.36632004,False
4138,O=C1N(CNCc2cscn2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.20030381,False
4139,O=C1N(c2ccccc2)CCN1C1CCC(NCc2cccc(F)c2)CC1,[*]N1CCN([*])C1=O,0.3535943,False
4140,CC(C)N1CCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.86186785,False
4141,CC(C)NCc1cccc(CN2CCN(c3ccccc3Cl)C2=O)c1,[*]N1CCN([*])C1=O,0.24616368,False
4142,CC1CCc2ccc(N3CCN(CCN4Cc5ccccc5C4)C3=O)cc2C1O,[*]N1CCN([*])C1=O,0.72540224,False
4143,CCCCN(C1COc2c(CC)cccc2C1)C(F)(F)F,[*]CN([*])C1COc2c([*])cccc2C1,0.48568586,False
4144,CCCCN(CCC)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6066158,False
4145,CCCCN(O)C1COc2c(CCC3(C(C)=O)CCCC3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.33673263,False
4146,CCCc1cccc2c1OCC(N(CC(C)=O)c1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.24984144,False
4147,CCCc1cccc2c1OCC(N(CC)CCc1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.63728505,False
4148,CCOc1ccccc1-c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38810375,False
4149,CN(CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.53411216,False
4150,CN1CC2Cc3ccccc3CC1CC(N1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.56981415,False
4151,COCC1CCCN1CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5372662,False
4152,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2Sc2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.43293512,False
4153,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(-c4ccsc4)cc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31988233,False
4154,COc1ccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.8072211,False
4155,COc1ccc(Cl)cc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)-c2ccccc2C3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6125423,False
4156,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1N(C)C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4109999,False
4157,COc1cccc(N2CCN(CC=CCNC(=O)c3cccc(OCCF)c3)CC2)c1NCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59817964,False
4158,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(-c3ccc([N+](=O)[O-])cc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80894756,False
4159,COc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.9730538,True
4160,Cc1cc(CNCN2CCN(c3cccc(Cl)c3)C2=O)sn1,[*]N1CCN([*])C1=O,0.28672034,False
4161,Cc1cccc(N2CCN(CCN3CCCCC3(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.5650218,False
4162,Cc1ccccc1C(=O)NCC=CCN1CCN(c2cc3ccc2Cc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49323708,False
4163,Cc1cscc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.769962,False
4164,N#CC(C#N)c1cccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.71499515,False
4165,Nc1ccc(N2CCN(CC=CCNC(=O)c3c(Cl)cccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4677147,False
4166,O=C(NCC=CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5941794,False
4167,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccsc1C(F)(F)F,[*]N1CCN([*])C1=O,0.8076174,False
4168,O=C1N(Cc2ccccc2)CCN1C1CCOCC1,[*]N1CCN([*])C1=O,0.40203324,False
4169,O=C1N(Cc2ccccc2)CCN1CC1COc2ccccc21,[*]N1CCN([*])C1=O,0.42440313,False
4170,CC1CCCN(CCN2CCN(Cc3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.54789066,False
4171,CCCCCN(C(=O)c1ccc(F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.27874082,False
4172,CCCCc1ccc(O)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8355817,False
4173,CCCN(CCC)C1COc2c(cccc2-c2cc3ccccc3s2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.746458,False
4174,CCCN1CCCC1CNC(=O)c1c(SC)ccc(C)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.3436751,False
4175,CCOCN1CCN(C2CCNCC2)C1=O,[*]N1CCN([*])C1=O,0.33284023,False
4176,CCc1ccc(C)c(C(=O)NCC2CCCN2S(N)(=O)=O)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.12295112,False
4177,CCc1ccc(SC)c(C(=O)NCC2CCCN2SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2697888,False
4178,CN(CCN1CCN(c2ccc3c(c2)OCO3)C1=O)CC12CCC(C)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.5651842,False
4179,CN1CC2CCC(Cc3ccccc31)C(N1CCN(c3ccccc3Cl)C1=O)NC2,[*]N1CCN([*])C1=O,0.487249,False
4180,CNc1ccc(N2CCN(CC=CCNC(=O)c3ccc(OCCF)cc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33045325,False
4181,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cnccc2-c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68406403,False
4182,COc1ccc(-c2c[nH]c(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9118828,False
4183,COc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97648495,True
4184,COc1ccc2c(c1)C(N1CCN(CC=CCNC(=O)c3ccccc3F)CC1)CCC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43074957,False
4185,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(-c4ccccc4)cc3)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38690445,False
4186,COc1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c1OC,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8707444,False
4187,COc1ccccc1N1CCN(CC2CC3CC(C)(C2)CC3(C)C)C1=O,[*]N1CCN([*])C1=O,0.33281487,False
4188,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccccc3)ccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82938,False
4189,Cc1cc(CN2CCC(CN3CCN(c4cccc(Cl)c4)C3=O)CC2)on1,[*]N1CCN([*])C1=O,0.5451466,False
4190,Cc1ccc(CN2CCN(CC3CCCCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.23077326,False
4191,O=C(NCC=CCN1CCN(c2cc(-c3ccc(O)cc3)ccn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45662087,False
4192,O=C(NCC=CCN1CCN(c2ccc3ccoc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4384786,False
4193,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cncc(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9366581,False
4194,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5367169,False
4195,O=C1N(CC2CCCNC2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.3631732,False
4196,O=C1N(CCN2CCOC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.76055896,False
4197,O=C1N(c2cccc(F)c2)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.24614033,False
4198,O=C1N(c2ccccc2Cl)CCN1C1NCC2CCc3ccccc3CC1CC2,[*]N1CCN([*])C1=O,0.43000332,False
4199,CC(CN1Cc2ccccc2C1)CN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.64433247,False
4200,CC(c1ccccc1)N1CCCC(N2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.40377933,False
4201,CC1CCNc2ccc(N3CCN(Cc4cccc(Cl)c4)C3=O)cc2Cc2ccccc21,[*]N1CCN([*])C1=O,0.5677778,False
4202,CCCCc1cccc2c1OCC(N(CCC)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5027528,False
4203,CCCN(CC)CN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.41991958,False
4204,CCCN(Cc1ccco1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5016771,False
4205,CCN(CC(=O)OC)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.22546315,False
4206,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OC)c(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37807453,False
4207,CN1CC2CC(CN3CCN(c4ccc(Cl)cc4)C3=O)CC1CC2(C)C,[*]N1CCN([*])C1=O,0.5104765,False
4208,CN1CCCC(N2CCN(c3ccccc3)C2=O)C2CCC21,[*]N1CCN([*])C1=O,0.35247973,False
4209,CN1CCCCC1CN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4457727,False
4210,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2[N+](=O)[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3723138,False
4211,COc1c(C(=O)NCCN2CCN(c3ccc(Cl)cc3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8275118,False
4212,COc1cccc(N2CCN(CC34CCCCC3CNC4)C2=O)c1,[*]N1CCN([*])C1=O,0.44168833,False
4213,Cc1cccc2c1-c1cccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72076124,False
4214,O=C(NCC=CCN1CCN(c2cc(F)ccn2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42725205,False
4215,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45734388,False
4216,O=C(NCC=CCN1CCN(c2ccc([N+]O)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48059464,False
4217,O=C(NCC=CCN1CCN(c2ccc3c(c2)-c2ccccc2C3)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5681418,False
4218,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)N1CCCC(c2ccccc2)C1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.573956,False
4219,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1cccc(Cl)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51978236,False
4220,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(S(=O)(=O)Oc2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5491508,False
4221,O=C(NCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1cc(Br)c2ccccc2c1O,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.70758545,False
4222,O=C(NN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.259413,False
4223,O=C1N(CCN2CCC(c3ccccc3)CC2)CCN1c1cc2ccccc2o1,[*]N1CCN([*])C1=O,0.7527131,False
4224,O=C1N(CCN2CCOCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.42070907,False
4225,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(O[s+]2cccc2)c1,[*]N1CCN([*])C1=O,0.8929269,False
4226,O=C1N(CN2CCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.45168507,False
4227,O=C1N(Cc2ccc3c(c2)CNC3)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.4582947,False
4228,O=C1N(Cc2ccccc2)CCN1C1CCc2sccc2C1,[*]N1CCN([*])C1=O,0.46737632,False
4229,O=C1N(c2cccc(-c3cccs3)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.29508263,False
4230,CC1CCCN(CCN2CCN(c3cccc(Cl)c3F)C2=O)C1,[*]N1CCN([*])C1=O,0.62366235,False
4231,CCCCN(C1COc2c(CC)cccc2C1)C(O)c1ccc(OC)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.4125007,False
4232,CCCCN(c1ccsc1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57820743,False
4233,CCCCc1ccc(Cl)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22910053,False
4234,CCCN(CO)C1COc2c(cccc2-c2ccc(C)o2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5377596,False
4235,CCCc1ccc(OC)c(OCSC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.28258425,False
4236,CCCc1cccc2c1OCC(N(CC)CCc1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6792675,False
4237,CCCc1cccc2c1OCC(N(CC)CN1C=C(C(F)(F)F)CC1(O)CC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5453748,False
4238,CCCc1cccc2c1OCC(N(CC)COCc1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6445249,False
4239,CCCc1cccc2c1OCC(N(Cc1ccc(F)cc1)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.33849204,False
4240,CCc1ccc(C)c(C(=O)NCC2CCCN2CSC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.48974612,False
4241,CCc1ccc(C)c(OSO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19009973,False
4242,COCC1C2CCC1CN(CN1CCN(c3ccc(Cl)cc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.4345107,False
4243,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([N+](=O)[O-])c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.28476766,False
4244,COc1ccc(OC)c(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8451278,False
4245,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc[nH]c2-c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8713357,False
4246,Cc1ccc(Cl)c(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45811453,False
4247,N#Cc1cccc(C(N)CN2CCN(C3CCNCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.43055692,False
4248,Nc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4931208,False
4249,O=C(CO)NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3780902,False
4250,O=C(NCC=CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39519054,False
4251,O=C(NCC=CCN1CCN(c2ccc3cc(O)[nH]c3c2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4225731,False
4252,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc2c1-c1ccccc1C2=O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8065393,False
4253,O=C(NCC=CCN1CCN(c2cccnc3cccc2-3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72164506,False
4254,O=C1N(CC2=CC=C3C=CC=CC(=C2)C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.39468718,False
4255,O=C1N(CCN2C3CCCCC2Cc2ccccc2C3)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.42226642,False
4256,O=C1N(CCN2CCC(OCC(F)(F)F)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8806968,False
4257,O=C1N(CCN2CCc3ccccc3C2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.7213899,False
4258,O=C1N(c2ccccc2)CCN1c1ccc2c(c1)N(Cc1cccc(Cl)c1)CC2,[*]N1CCN([*])C1=O,0.37663054,False
4259,CC1(C)C2CCN(CC2)CC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5699989,False
4260,CCCc1cccc2c1OCC(N(CC)Cc1ccc([N+](=O)[O-])cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.39042428,False
4261,CCCc1cccc2c1OCC(N(Cc1ccoc1)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3619843,False
4262,CCN1CCCC(N2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5756247,False
4263,CCN1CCNCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.47915697,False
4264,CCNCN1CCCC1CNC(=O)c1c(OC)ccc(Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.63427776,False
4265,CCc1ccc(Br)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.89222264,False
4266,CN(C)Cc1cccc(N2CCN(c3cccc(C(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3243778,False
4267,CN(CCN1CCN(Cc2cccc(Cl)c2)C1=O)CC12CCC(CC1)C(C)(C)C2,[*]N1CCN([*])C1=O,0.46479714,False
4268,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(C)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3233157,False
4269,COc1c(C(=O)NCCN2CCN([N+](=O)c3ccc([N+](=O)[O-])cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.42570278,False
4270,COc1cc(N2CCN(CCN3CCN(C)CC3)C2=O)ccc1Cl,[*]N1CCN([*])C1=O,0.7277177,False
4271,COc1ccc2c(c1)Cc1ccc(cc1N1CCN(CC=CCNC(=O)c3ccccc3OC)CC1)CC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50685257,False
4272,COc1cccc(N2CCN(CC=CCNC(=O)c3ccncc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37962526,False
4273,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ncc[nH]3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37917915,False
4274,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(C)ncn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8928849,False
4275,COc1ccccc1N1CCN(CCN2CCCCCC2)C1=O,[*]N1CCN([*])C1=O,0.6199053,False
4276,COc1cscc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65626967,False
4277,Cc1cccc(N2CCN(Cc3ccc(F)cc3)C2=O)n1,[*]N1CCN([*])C1=O,0.20813693,False
4278,Cc1ccccc1N1CCN(CCN2CCCC(C)C2)C1=O,[*]N1CCN([*])C1=O,0.49313733,False
4279,O=C(NCC=CCN1CCN(c2c[nH]c(-c3ccc(F)cc3)c2)CC1)c1ccccc1CO,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4190542,False
4280,O=C(NCC=CCN1CCN(c2c[nH]c3ccccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49980912,False
4281,O=C(NCC=CCN1CCN(c2cccc3c2Cc2ccccc2-3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6336013,False
4282,O=C(NCc1cccs1)N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.08631446,False
4283,O=C1N(CCN2CCCC3CCC(C3)C2)CCN1c1cccc(Cl)c1-c1ccccc1,[*]N1CCN([*])C1=O,0.53500503,False
4284,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(F)cc1C(F)(F)F,[*]N1CCN([*])C1=O,0.86365676,False
4285,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2occc2c1,[*]N1CCN([*])C1=O,0.90488327,True
4286,O=C1N(CN2CCC3CCCC2Cc2ccccc2C3)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.5370426,False
4287,O=C1N(c2cccc(Cl)c2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.62242746,False
4288,CC(C)(C)N1CCCc2cc(N3CCN(c4cccc(Cl)c4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.37457755,False
4289,CC(C)c1cccc(N2CCN(C3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.40129536,False
4290,CC(NCN1CCN(Cc2ccccc2)C1=O)c1ccccc1,[*]N1CCN([*])C1=O,0.15384863,False
4291,CC(OC1CCCCC1)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7555896,False
4292,CC1(C)CC2CCC(N3CCN(c4cccc(Cl)c4)C3=O)(C2)C1,[*]N1CCN([*])C1=O,0.49654615,False
4293,CC1(C)CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CCN1,[*]N1CCN([*])C1=O,0.8937876,False
4294,CC1CC2CCC(CN(C)CCN3CCN(c4cccc(Cl)c4)C3=O)(C1)C2,[*]N1CCN([*])C1=O,0.7902147,False
4295,CCCN(CCC)C1COc2c(C#Cc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.81750876,False
4296,CCCN(CCc1ccsc1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8117645,False
4297,CCCN1CCCC1CNC(=O)c1c(C)ccc(OC)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.3861317,False
4298,CCCc1cccc2c1OCC(N(C)CCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.722293,False
4299,CCN(C)CCN1CCN(c2ccccn2)C1=O,[*]N1CCN([*])C1=O,0.4808223,False
4300,CCN1CCN(c2cccc(OC)c2)C1=O,[*]N1CCN([*])C1=O,0.4129712,False
4301,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(-c3ccccc3OC)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39008972,False
4302,CCc1ccc(COC)c(C(=O)NCC2CCCN2Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22393972,False
4303,CCc1ccc(OC)c(C(=O)NCC2CCCN2SN)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2248504,False
4304,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2c[nH]c3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.657002,False
4305,COc1ccc2ccccc2c1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4517544,False
4306,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4Cl)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36614448,False
4307,COc1cccc(N2CCN(CC(=O)N3c4ccccc4CC3C)C2=O)c1,[*]N1CCN([*])C1=O,0.34784877,False
4308,COc1cccc2ccc(N3CCN(CC=CCNC(=O)c4cccc(F)c4[N+](=O)[O-])CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43798232,False
4309,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(CCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9501756,True
4310,Cc1ccc(N2CCN(C3COCCN3)C2=O)cc1,[*]N1CCN([*])C1=O,0.16709346,False
4311,O=C(NCC=CCN1CCN(c2c[nH]c3ccccc23)CC1)c1c(Cl)cccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55734694,False
4312,O=C(NCC=CCN1CCN(c2cc(Cl)ccc2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.654958,False
4313,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1cccs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5355954,False
4314,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(O)[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9478434,False
4315,O=C1N(CC(F)(F)F)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.4324481,False
4316,O=C1N(CCCN2CC3CCc4ccccc4CC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.65569335,False
4317,O=C1N(CCN2CCCC(Cc3ccccc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.82143176,False
4318,O=C1N(CCN2CCN(Cc3cc4ccccc4s3)C2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.56059146,False
4319,O=C1N(CCNCc2csc3ccccc23)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5366542,False
4320,CC(C)c1ccccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7787725,False
4321,CC1(C)C2CCC1(CN1CCN(c3cccc(F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.49792382,False
4322,CC1CC2(CCCOC2)CCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6330045,False
4323,CC1CCCCCN1CCN1CCN(Cc2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.323062,False
4324,CCCN(CCC)C1COc2c(cccc2-c2ccc(O[O-])cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7917505,False
4325,CCN(CC)CCN1CCN(c2ccc(Cl)c(F)c2)C1=O,[*]N1CCN([*])C1=O,0.5555121,False
4326,CCc1ccc(C)c(OO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19981273,False
4327,CN(CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.75393826,False
4328,COCC12CCC(CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.81581134,False
4329,COCC1Cc2ccccc2C(N2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.51480126,False
4330,COc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97785985,True
4331,COc1ccc2c(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc(C)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48924044,False
4332,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9601926,False
4333,COc1ccc2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40747717,False
4334,COc1ccccc1N1CCN(CC=CCNC(=O)c2cnc(-c3ccccc3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91013813,False
4335,Cc1ccc2c(c1)CN(CCN1CCN(c3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.64813286,False
4336,NCc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7376595,False
4337,O=C(NCC=CCN1CCN(CCc2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37476268,False
4338,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49158207,False
4339,O=C(NCC=CCN1CCN(c2ccc3[nH]c(O)cc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46051544,False
4340,O=C(NCC=CCN1CCN(c2ccc3c(c2)-c2ccccc2Cc2ccccc2-3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5165037,False
4341,O=C(NCC=CCN1CCN(c2ccc3ccc(O)nc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5202959,False
4342,O=C(NCC=CCN1CCN(c2cccc(-c3ccc(O)[nH]3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47808808,False
4343,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2c(OCCF)cccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9241841,False
4344,O=C(NCC=CCN1CCN(c2cccc3c2-c2ccccc2CCO3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65739876,False
4345,O=C(NCC=CCN1CCN(c2cccc3nccnc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7330373,False
4346,O=C(NCC=CCN1CCN(c2cccnc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60221463,False
4347,O=C1N(CCN2CCCCCC2)CCN1Cc1cccc(O)c1,[*]N1CCN([*])C1=O,0.5360351,False
4348,O=C1N(CCN2CCc3ccccc3C2O)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4457094,False
4349,O=C1N(Cc2cc(Cl)ccc2Cl)CCN1CC1CCCCN1,[*]N1CCN([*])C1=O,0.36390457,False
4350,O=C1N(c2cccc(Cl)c2)CCN1C1CCCCC1C#Cc1ccccc1,[*]N1CCN([*])C1=O,0.44257483,False
4351,C=Cc1cccc2c1OCC(N(CC)CCCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.590288,False
4352,CC(C)c1ccc(N2CCN(CCN3CCCc4sccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.5771003,False
4353,CC1(C)CCN(CCN2CCN(c3ccccc3)C2=O)C(C)(C)C1,[*]N1CCN([*])C1=O,0.5532208,False
4354,CC1(C)Cc2ccccc2N1CCN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.5821295,False
4355,CC1(CN2CCN(c3cccc(F)c3)C2=O)CCCCN1,[*]N1CCN([*])C1=O,0.36088294,False
4356,CC1CCCCN1CCN1CCN(c2cccc(S(C)(=O)=O)c2)C1=O,[*]N1CCN([*])C1=O,0.5498477,False
4357,CC1CCN(C(C)CN2CCN(Cc3ccc(Cl)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.2933989,False
4358,CCCN(CC1CCCCC1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6458634,False
4359,CCCN(CCC)C1COc2c(cccc2-c2ccc(OC(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.79106814,False
4360,CCCN(CCC)C1COc2c(cccc2S(=O)(O)=Cc2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6265279,False
4361,CCCc1ccc(C)c(C(=O)NCC2CCCN2O)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15692583,False
4362,CCCc1cccc2c1OCC(N(CCC)C(=O)c1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3148189,False
4363,CCCc1cccc2c1OCC(N(CO)c1ccccc1OC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.46962473,False
4364,CCOc1c(Br)ccc(CCCS)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2643578,False
4365,CCc1ccc(CC2CCCC2)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7565307,False
4366,CN(CCN1CCN(c2cccc(F)c2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.6303952,False
4367,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(C)c(C)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34775484,False
4368,Cc1ccc(CN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)cn1,[*]N1CCN([*])C1=O,0.65092933,False
4369,Cc1cccc(N2CCN(CNCc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.29318318,False
4370,O=C(CNC(=O)c1cc2cc(OCCF)ccc2[nH]1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79487747,False
4371,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48618603,False
4372,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc([O-])cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.906033,False
4373,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2ccccc2O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92432785,False
4374,O=C(NCC=CCN1CCN(c2cccc(F)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4694177,False
4375,O=C(NCC=CCN1CCN(c2cccc(O)c2)CC1)c1c(Cl)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5111931,False
4376,O=C(NCC=CCN1CCN(c2cccc(O)n2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48729587,False
4377,O=C(NCC=CCN1CCN(c2ccccc2-c2cccc(Cl)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7351899,False
4378,O=C(NCC=CCN1CCN(c2ccccc2C(F)(F)F)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8068984,False
4379,O=C1N(CCN2CCC3CCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8648268,False
4380,O=C1N(CCN2CCCCC(c3ccccc3)C2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.7335614,False
4381,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(Cl)s1,[*]N1CCN([*])C1=O,0.837245,False
4382,O=C1N(Cc2cc3ccccc3s2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.3149172,False
4383,O=C1N(Cc2cccs2)CCN1CC1CCCCN1,[*]N1CCN([*])C1=O,0.4546032,False
4384,O=C1N(c2ccccc2)CCN1C1CCC1c1ccccc1,[*]N1CCN([*])C1=O,0.29269752,False
4385,CC1(C)CCN(CCN2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7999595,False
4386,CCCCN(CC)C1COc2c(cccc2C(O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52292573,False
4387,CCCCN(CC)C1COc2c(cccc2S(=O)(=O)c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.33440432,False
4388,CCCCSc1ccc(C)c(OCC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16797087,False
4389,CCCN(CCC)C1COc2c(cccc2-c2ccc(O)nc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.68445563,False
4390,CCCN1CCN(C2COOC2)C1=O,[*]N1CCN([*])C1=O,0.42974743,False
4391,CCCc1cccc2c1OCC(N(CO)CC(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.52672017,False
4392,CCN(Cc1ccc(OC)cc1)C1COc2c(CC(C)C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5263543,False
4393,CCc1cccc2c1OCC(N(CCCC(F)(F)F)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.43730894,False
4394,COCC1CCCN1CN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.42453524,False
4395,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)cn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4293002,False
4396,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(OC)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36768907,False
4397,COc1ccc(OCCF)c(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5452127,False
4398,COc1ccc2c(c1)Nc1ccccc1C(C(=O)NCC=CCN1CCN(c3ccccc3OCCF)CC1)O2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6969244,False
4399,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(OCCF)cc3)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43458885,False
4400,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Br)cc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5634099,False
4401,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(CCF)ccc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8843564,False
4402,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(C)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8301151,False
4403,Cc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9307676,False
4404,N#Cc1c(Cl)cccc1N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5631712,False
4405,N#Cc1cccc(CNCN2CCN(c3ccc(Cl)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.3077669,False
4406,O=C(NCC=CCN1CCN(c2ccc(Br)c(Cl)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5060754,False
4407,O=C(NCC=CCN1CCN(c2ccc(O)[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43222892,False
4408,O=C(NCC=CCN1CCN(c2ccc(O)c(O)c2)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48048073,False
4409,O=C(NCC=CCN1CCN(c2cccc(Oc3ccccc3[N+](=O)[O-])c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42711553,False
4410,O=C1N(CC2CCCc3ccccc32)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.64231944,False
4411,O=C1N(CCN2CCCCCC2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.87479854,False
4412,O=C1N(CCN2CCCc3sccc3C2)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.6819721,False
4413,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(Cl)n1,[*]N1CCN([*])C1=O,0.80358505,False
4414,O=C1N(CCOCC2CCCCN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.66674,False
4415,O=C1N(CCc2ccccc2)CCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.44774386,False
4416,O=C1N(Cc2ccccc2)CCN1CC12CCC(CC1)Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.48226953,False
4417,CC1(C)CC2CCC(CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C2)C1,[*]N1CCN([*])C1=O,0.8577262,False
4418,CCCCN(C1COc2c(CC)cccc2C1)C(O)c1ccc(C(F)(F)F)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.5127148,False
4419,CCCCN(CC)C1COc2c(cccc2-c2cccc(Cl)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.50130737,False
4420,CCNC1CCCc2ccc(N3CCN(c4ccccc4Cl)C3=O)cc21,[*]N1CCN([*])C1=O,0.40145418,False
4421,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2cc(F)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6261716,False
4422,CN1CC(N2CCN(c3ccccc3)C2=O)CC2CCC1Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.51528084,False
4423,CN1CC2CCC(Cc3ccccc31)C(N1CCN(Cc3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.51380485,False
4424,CN1CCCCC1CN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.50909364,False
4425,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C(=O)c2ccc(Cl)cc2Cl)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.50523394,False
4426,COc1c(C(=O)NCCN2CCN(c3ccccc3S(=O)(=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8202386,False
4427,COc1c[nH]cc1C(=O)NCC=CCN1CCN(c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91585976,False
4428,COc1ccc(-c2cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)[nH]n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7437136,False
4429,COc1ccc(-c2cccc(C(=O)NCC=CCN3CCN(c4ccc(Cl)cc4OC)CC3)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5615805,False
4430,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(F)c3Cl)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4433334,False
4431,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccnc(-c3ccc(Cl)cc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46123257,False
4432,COc1ccccc1C(=O)NCC=CCN1CCN(c2csc(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47692922,False
4433,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Oc3cccc(Cl)c3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8306472,False
4434,Cc1c(C(=O)NCCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.6641465,False
4435,Cc1ccc(CNC(C)N2CCN(c3cccc(Cl)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.27453157,False
4436,Cc1ccc(N2CCN(CN(C)Cc3cccc(Cl)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.32666185,False
4437,Cc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3c(Cl)cccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35804254,False
4438,Nc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8957635,False
4439,O=C(NCC=CCN1CCN(c2cc3ccccc3[nH]2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46382698,False
4440,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)c(O)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46311975,False
4441,O=C(NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49713835,False
4442,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(OCCF)cccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8587893,False
4443,O=C1N(CCc2ccccc2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.39177766,False
4444,O=C1N(Cc2ccc3ccccc3c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4431681,False
4445,O=C1N(c2cccc(Cl)c2)CCN1C1CCCCN1Cc1csc2ccccc12,[*]N1CCN([*])C1=O,0.39214066,False
4446,O=C1N(c2cccc(Cl)c2)CCN1C1CCN(CCc2ccccc2F)CC1,[*]N1CCN([*])C1=O,0.7363591,False
4447,O=C1N(c2cccc(Cl)c2)CCN1c1cccc(-c2ccsc2)c1,[*]N1CCN([*])C1=O,0.353078,False
4448,CC(C)N1CCN(CCN2CCN(Cc3cccc(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6991254,False
4449,CC(C)NC1c2ccccc2C(CN2CCN(c3cccc(Cl)c3)C2=O)CC1C,[*]N1CCN([*])C1=O,0.39980614,False
4450,CCCN(CC(C)=O)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4662823,False
4451,CCCN(CC(C)C)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6685221,False
4452,CCCc1cccc2c1OCC(N(CC)Cc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.62916535,False
4453,CCN1CCCC1CNC(=O)c1c(C)ccc(NC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7412221,False
4454,CCN1CCCC1CNC(=O)c1c(OC)ccc(CCCCO)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8512967,False
4455,CCN1CCCC1CNC(=O)c1c(OC)ccc(S)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.86722606,False
4456,CCc1ccc(OC)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9432739,False
4457,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.76472574,False
4458,COc1c(C(=O)NCCN2CCN([N+](=O)c3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.44998074,False
4459,COc1cccc(N2CCN(CC=CCNC(=O)c3ccc(-c4ccc[nH]4)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35964137,False
4460,COc1cccc(N2CCN(CCN3CCN(Cc4ccc(F)cc4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.6951432,False
4461,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-n3cccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9366649,False
4462,CS(=O)(=O)ON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39029673,False
4463,O=C(NCC=CCN1CCN(C2=C3C=C(O)C=C3C=CC=CC=C2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3778935,False
4464,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1)c1ccc(O)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55919796,False
4465,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccc2sccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4065726,False
4466,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1csc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4365266,False
4467,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C(=O)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81531686,False
4468,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(OCCF)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89611876,False
4469,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2cccnc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88433886,False
4470,O=C(NCC=CCN1CCN(c2cccc(F)c2)CC1)c1ccc(Cl)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5255656,False
4471,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(Oc2ccccc2)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8993325,False
4472,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1cc(Br)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46542922,False
4473,O=C1N(CC2CCNCC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.50959927,False
4474,O=C1N(CCN2CCC(c3ccccc3)CC2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.7547756,False
4475,O=C1N(CCN2CCc3ccc(F)cc3C2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.5775591,False
4476,O=C1N(CCOC2CCCCC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.40417203,False
4477,O=C1N(COCc2cccc(Cl)c2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.39600256,False
4478,CC(=O)N1CCN(CCN2CCN(c3ccc(C(C)(C)C)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.4475026,False
4479,CC(c1ccccc1)N1CCN(CCN2CCN(Cc3cccc4ccccc34)CC2)C1=O,[*]N1CCN([*])C1=O,0.59282357,False
4480,CC1CCC2CCC(C1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.8052246,False
4481,CC1CCN(CCN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.68587697,False
4482,CC1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C2(CCC2)C1,[*]N1CCN([*])C1=O,0.77373004,False
4483,CCCN(CCC)C1COc2c(cccc2C(F)(F)c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.78264606,False
4484,CCN(C)CCN1CCN(CC#N)C1=O,[*]N1CCN([*])C1=O,0.45890793,False
4485,CCN1CCCC1CNC(=O)c1c(C)ccc(Br)c1OCO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7074755,False
4486,CCOc1c(C)ccc(OC)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18917781,False
4487,CCOc1c(CC)ccc(C)c1C(=O)NCC1CCCN1S(C)(=O)=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.12567587,False
4488,CN(C)[N+](=O)c1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46087518,False
4489,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(N(C)C)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37851056,False
4490,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc4c(c3)Cc3ccccc3-4)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47888663,False
4491,Cc1ccc(N2CCN(CN(C)CC34CCCC(CC3)C4(C)C)C2=O)cc1,[*]N1CCN([*])C1=O,0.40588686,False
4492,Cc1cccc(N2CCN(Cc3cc(C)no3)C2=O)c1,[*]N1CCN([*])C1=O,0.2356945,False
4493,Cc1cccnc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4069451,False
4494,N#CC1CCC(N2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.40997565,False
4495,O=C(NCC=CCN1CCN(c2ccc(-c3ncccc3Cl)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48808324,False
4496,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Br)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9499622,False
4497,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(NO)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8784468,False
4498,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccnnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8075012,False
4499,O=C(NCC=CCN1CCN(c2cccc3c2OCOC3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6516867,False
4500,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(-c2ccc(F)cc2)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92524916,False
4501,O=C1N(CCN2CC3CCCCCCC32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.47255877,False
4502,O=C1N(CCN2CCCCCC2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.5960082,False
4503,O=C1N(CCN2CCN(Cc3cc4ccccc4s3)CC2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.71473074,False
4504,O=C1N(Cc2cccc([N+](=O)[O-])c2)CCN1CC1CCCNC1,[*]N1CCN([*])C1=O,0.25966656,False
4505,O=C1N(Cc2cccc3c2CCNCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5064718,False
4506,O=C1N(c2ccccc2)CCN1C1CCCCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.33522803,False
4507,O=C1N(c2ccccc2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.32031348,False
4508,CC1(C)C2CCCC1(CN1CCN(Cc3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.34254625,False
4509,CC1(C)CC2CCC(NCCN3CCN(c4cccc(Cl)c4)C3=O)(C1)C2(C)C,[*]N1CCN([*])C1=O,0.64053136,False
4510,CC1(CCCN2CCN(c3cccc(Cl)c3)C2=O)CC2CCC1(C)C2,[*]N1CCN([*])C1=O,0.68040645,False
4511,CC1CNCC(N2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.28792882,False
4512,CC1Cc2ccccc2N1CCN1CCN(c2cc(Cl)ccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.507625,False
4513,CC1c2ccccc2CN1CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7110102,False
4514,CCCCc1ccc(C)c(C(=O)NCC2CCCN2CCC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.3390025,False
4515,CCCN(C(C)C)C1COc2c(cccc2-c2cccc(C)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56449574,False
4516,CCCc1cccc2c1OCC(N(CCC)c1ccc(CF)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.62293124,False
4517,CCCc1cccc2c1OCC(N(Cc1ccccc1)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.30627793,False
4518,CCN1CCCC(N2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.49927914,False
4519,CCNC(=O)c1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88358796,False
4520,CN1CCN(CCN2CCN(c3ccc(Cl)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.70620334,False
4521,CNCC12CCC1C(COCCCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.6853611,False
4522,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39984906,False
4523,COc1cccc(C(=O)NCC=CCN2CCN(c3cc4ccccc4[nH]3)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4141673,False
4524,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(CCF)cc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50260967,False
4525,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(F)cc2Oc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8952633,False
4526,Cc1ccccc1-c1c(C(=O)NCCN2CCN(O)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3752282,False
4527,Cc1ncc(N2CCN(CCN3Cc4ccccc4C3)C2=O)s1,[*]N1CCN([*])C1=O,0.8137604,False
4528,O=C(NCC=CCN1CCN(Oc2ccc(-c3cccnc3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32664275,False
4529,O=C(NCC=CCN1CCN(c2ccc(F)cc2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46012247,False
4530,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(OCCF)nc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9482141,False
4531,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ncc[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9630745,True
4532,O=C(NCC=CCN1CCN(c2cccc(F)c2)CC1)c1ccc(Cl)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52793163,False
4533,O=C1N(CCCN2C3CCCC2Cc2ccccc2C3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.53235763,False
4534,O=C1N(CCN2CC3CC2C3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.57611495,False
4535,O=C1N(CCN2CC3CCCC2CC3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.4786777,False
4536,O=C1N(CCN2CCCc3ccsc3C2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.6359296,False
4537,O=C1N(CCN2c3ccccc3CC2CF)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.66199005,False
4538,O=C1N(CCOc2cccc(Cl)c2)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.4450572,False
4539,O=C1N(CCc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.67357373,False
4540,CC(C)c1cccc(N2CCN(CC3CCCCN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.53453445,False
4541,CC(C)c1cccc2c1OCC(N(CO)C1CCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.43549365,False
4542,CC(c1ccccc1)N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5336235,False
4543,CC1CC2Cc3ccccc3CC(C1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.7085745,False
4544,CCCCN(c1ccc2ccccc2c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41571957,False
4545,CCCCSN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15984361,False
4546,CCCN(CO)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52628976,False
4547,CCCc1cccc2c1OCC(N(CC)Cc1cccc3ccccc13)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5862241,False
4548,CCN(CC)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.52284783,False
4549,CCc1ccc(C)c(C(=O)NCC2CCCN2Br)c1OC(C)=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15513206,False
4550,CCc1ccc(Cl)c(OO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23760007,False
4551,CN1CCC2=CC=CC=C(S2)C1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.621092,False
4552,COc1c(C(=O)NCCN2CCN(CNCc3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37809858,False
4553,COc1c(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35260603,False
4554,COc1c(C(=O)NCCN2CCN(c3ccc(C(C)=O)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.87845176,False
4555,COc1c(C)cccc1N1CCN(CC=CCNC(=O)c2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5858136,False
4556,COc1cc(-c2ccccc2)ccc1N1CCN(CC=CCNC(=O)c2ccc(Cl)c(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6208273,False
4557,COc1cc(CCF)ccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88434815,False
4558,COc1cccc(CN2CCN(C3CCc4cccnc4CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.40274513,False
4559,COc1cccc(N2CCN(CCN(C)CC34CCC(CC3(C)C)C4)C2=O)c1,[*]N1CCN([*])C1=O,0.7425841,False
4560,COc1cccc2c(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7046813,False
4561,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccnc2-c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5800211,False
4562,Cc1ccc(-c2ccccc2)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91237396,False
4563,Cc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35190994,False
4564,Cn1c(=O)c2cccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c2c2ccccc21,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52447385,False
4565,N#Cc1cccc(CNC2CCC(N3CCN(c4cccc(Cl)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.44659874,False
4566,O=C1N(CCN2CCC3CCCC(CC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.90285957,False
4567,O=C1N(CCN2CCCC(c3ccccc3)CC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.80070376,False
4568,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccccc1-c1ccsc1,[*]N1CCN([*])C1=O,0.7668959,False
4569,CC(C)c1cccc2c1OCC(N(CO)C1CCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4080136,False
4570,CC1(C)CC2CN(CN3CCN(c4cccc(Cl)c4)C3=O)CC(C)(C2)C1,[*]N1CCN([*])C1=O,0.6655803,False
4571,CC1CCCN(CCN2CCN(Cc3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.58437103,False
4572,CCCCN(c1ccccn1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46503228,False
4573,CN(CN1CCN(c2cccc(Cl)c2)C1=O)CC12CCc3ccccc3CC(C1)C2,[*]N1CCN([*])C1=O,0.54878783,False
4574,COc1c(C(=O)NCCN2CCN(c3ccc([N+](C)[O-])cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7793275,False
4575,COc1cccc(N2CCN(CCN3Cc4ccccc4C3C)C2=O)c1,[*]N1CCN([*])C1=O,0.76005614,False
4576,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8090033,False
4577,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2OCc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92398393,False
4578,Cc1[nH]ccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60356027,False
4579,Cc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1-c1cccc(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37753692,False
4580,Cc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)[nH]2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3915028,False
4581,Cc1ccsc1N1CCN(CCN2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.66678613,False
4582,N#Cc1cc(N2CCN(CCN3CCNCC3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.63856673,False
4583,N#Cc1cccc(N2CCN(CCN3CC4CCc5ccccc5CC3CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.64305687,False
4584,Nc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83049417,False
4585,O=C(CCNC(=O)c1ccccc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7154307,False
4586,O=C(CN1CCN(c2ccc(F)c(Cl)c2)C1=O)NCc1ccc(F)cc1,[*]N1CCN([*])C1=O,0.10695219,False
4587,O=C(NCC=CCN1CCN(c2ccc(-c3cnc(O)[nH]3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45925793,False
4588,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cc2ccc(O)cc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5306655,False
4589,O=C(NCC=CCN1CCN(c2ccc(Oc3ccccc3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42712367,False
4590,O=C(NCC=CCN1CCN(c2cccc(F)c2)CC1)c1c(Cl)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4968719,False
4591,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)C1=CC=Cc2ccccc2N1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6405605,False
4592,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(CCF)cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8665124,False
4593,O=C(NCC=CCN1CCN(c2ncccc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44107726,False
4594,O=C1N(CC(F)(F)F)CCN1C1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.52046597,False
4595,O=C1N(CCN2CC3CCCCCC2CC3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5367522,False
4596,O=C1N(CCN2CCCC3Cc4ccccc4CC32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5890721,False
4597,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)Cc1ccccc1[S+]2,[*]N1CCN([*])C1=O,0.80565315,False
4598,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.5984865,False
4599,CC(C)N1CCN(Cc2cc3ccccc3s2)C1=O,[*]N1CCN([*])C1=O,0.3259686,False
4600,CC1(C)CCNC(CN2CCN(c3cccc(O)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.4770593,False
4601,CCCCN(C1COc2c(CC)cccc2C1)C1CC(=O)CC(C)(C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3820252,False
4602,CCCCN(c1ccc(C(C)(C)C)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47908485,False
4603,CCCN(C(C)C)C1COc2c(cccc2OC(=O)c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.32755208,False
4604,CCCN(Cc1ccccc1)C1COc2c(CC(C)=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5053031,False
4605,CCCc1cccc2c1OCC(N(CCC)c1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6005698,False
4606,CCN(C)CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.50550723,False
4607,CCN(CC(C)C)C1COc2c(cccc2-c2ccc(C(=O)O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3413559,False
4608,CCN1CCN(c2cc(Cl)ccc2F)C1=O,[*]N1CCN([*])C1=O,0.26813263,False
4609,CCN1CCc2cccc3c2C1CN(CCN1CCN(c2ccsc2-c2ccccc2)C1=O)CCCC3,[*]N1CCN([*])C1=O,0.55054694,False
4610,CCc1ccc(CCO)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8802655,False
4611,COc1c(C(=O)NCCN2CCN(COc3cccc(Cl)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38199455,False
4612,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cc3cccc(OC)c3s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59442073,False
4613,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)cc2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43362412,False
4614,COc1ccc(Br)c(C(=O)NCC=CCN2CCN(c3ccc(OCF)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36839142,False
4615,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1C=O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9494574,False
4616,COc1ccc(Cl)cc1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.32148,False
4617,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6191788,False
4618,COc1ccccc1C(=O)NCC=CCN1CCN(c2cnn3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46896875,False
4619,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(Br)cc3)o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8590423,False
4620,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3c2CCc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8558505,False
4621,N#Cc1cc(N2CCN(CCN3CCCCCC3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.85102373,False
4622,O=C(NCC=CCN1CCN(CCOc2ccc3ccc(O)cc3n2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42397615,False
4623,O=C(NCC=CCN1CCN(c2cc3cc(OCCF)ccc3[nH]2)CC1)c1cc(Cl)ccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42780253,False
4624,O=C(NCN1CCN(Cc2ccccc2)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.19264399,False
4625,O=C1N(C2CCCOC2)CCN1C1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.28174216,False
4626,O=C1N(CCN2CC3CCc4ccccc4CC2CC3)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.5913156,False
4627,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccnc(Cl)c1,[*]N1CCN([*])C1=O,0.87568027,False
4628,C#CCN1CC2Cc3ccccc3CC2C1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5055743,False
4629,CC(C)OCc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.83823353,False
4630,CCCN(CCC)C1COc2c(cccc2-c2cc(C(O)(F)F)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7104663,False
4631,CCCN(CF)C1COc2c(cccc2C2CCCC(C(=O)OC)C2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4294229,False
4632,CCCN(Cc1ccsc1)C1COc2c(cccc2C2CCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7020678,False
4633,CCCc1ccc(CC)c(OC)c1C(=O)NCC1CCCN1CCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5072659,False
4634,CCCc1cccc2c1OCC(N(C)COC(=O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.2916431,False
4635,CCN1CCc2ccccc2C1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5981058,False
4636,CCOc1c(Br)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6812493,False
4637,CCOc1c(CC)ccc(SN)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23878676,False
4638,CN1CC2CCCC(Cc3ccccc31)C(N1CCN(c3cccc(C(F)(F)F)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.47935167,False
4639,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc[nH]2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4187662,False
4640,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccc(C)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6784053,False
4641,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32228783,False
4642,COc1ccc2[nH]c(N3CCN(CC=CCNC(=O)c4cccc(C)c4OCCF)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2763443,False
4643,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3OCCF)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6252221,False
4644,COc1cccc(N2CCN(CC3CCCN(CCc4ccccc4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.707291,False
4645,COc1cccc(N2CCN(Cc3cc(C)no3)C2=O)c1,[*]N1CCN([*])C1=O,0.23533572,False
4646,C[S+](N)Cc1cccc(CN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.31976604,False
4647,O=C(NCC=CCN1CCN(c2cc(F)ccc2F)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6498694,False
4648,O=C(NCC=CCN1CCN(c2ccc(O)[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43442938,False
4649,O=C(NCC=CCN1CCN(c2ccc([N+](=O)[O-])cc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50236154,False
4650,O=C(NCC=CCN1CCN(c2cccc(-c3ccccc3O)n2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44809872,False
4651,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Br)cc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8841976,False
4652,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1-c1ccc[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.820533,False
4653,O=C1N(CCN2CCCC(C(F)(F)F)C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.76134217,False
4654,O=C1N(CCN2CCCCC(c3cccc(F)c3)C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.7387718,False
4655,O=C1N(CCN2CCc3occc3C2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.6824669,False
4656,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc(CF)c1,[*]N1CCN([*])C1=O,0.8589143,False
4657,CC(F)(F)c1cccc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.28794676,False
4658,CC(OCCN1CCN(c2cccc(Cl)c2)C1=O)c1ccccc1,[*]N1CCN([*])C1=O,0.663341,False
4659,CC1CC2CCC(CN3CCN(c4ccc(F)cc4)C3=O)(CC2)C1,[*]N1CCN([*])C1=O,0.3484151,False
4660,CC1Cc2cc(N3CCN(C(C)C)C3=O)ccc2CCN2CC=CC=C12,[*]N1CCN([*])C1=O,0.3984978,False
4661,CCCCN(CCC)C1COc2c(C=Cc3ccc(OC)cc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6552041,False
4662,CCCCN(CCC)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7180527,False
4663,CCCN(C1CCCC(=O)C1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49676394,False
4664,CCCN(CCc1ccccc1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7531554,False
4665,CCN1CCN(Cc2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.27613166,False
4666,CCc1ccc(CN2CCN(c3cccc(Cl)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.4682216,False
4667,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cc3cc(O)ccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6724826,False
4668,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(-c4ccsc4)cc3)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3520636,False
4669,COc1ccc(O)c(OC)c1C(=O)NCC1CCCN1CC1CCCC1,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.4736861,False
4670,COc1ccc2cc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40822518,False
4671,COc1ccc2cccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9489166,False
4672,COc1cccc(COCCN2CCN(c3ccc(Cl)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.5015307,False
4673,COc1cccc(N2CCN(Cc3ccc4c(c3)C(O)CCCC4)C2=O)c1,[*]N1CCN([*])C1=O,0.4138018,False
4674,Cc1cc(N2CCN(CCN3CCCOCC3)C2=O)ccc1Cl,[*]N1CCN([*])C1=O,0.4880505,False
4675,Cc1ccc2c(c1)CCN2C(=O)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.2081615,False
4676,Cc1cccc(CN2CCN(c3cccs3)C2=O)c1,[*]N1CCN([*])C1=O,0.23371905,False
4677,Cc1ccsc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8069627,False
4678,Cc1csc(N2CCN(c3cccc4ccccc34)C2=O)n1,[*]N1CCN([*])C1=O,0.15931411,False
4679,O=C(NCC=CCN1CCN(c2ccc3ncc(O)nc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39247698,False
4680,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1NCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.61479336,False
4681,O=C1N(CC2CCN(Cc3ccc(F)cc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8281234,False
4682,O=C1N(CCN2CCCc3sccc3C2)CCN1Cc1ccccc1Cl,[*]N1CCN([*])C1=O,0.5990096,False
4683,O=C1N(CCN2CCN(CC(F)(F)F)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8576861,False
4684,O=C1N(CCN2CCOCC2)CCN1c1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.4108567,False
4685,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.82088506,False
4686,O=C1N(CCN2Cc3ccccc3C2)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.8873258,True
4687,O=C1N(OCC2CCCCN2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.28322804,False
4688,O=C1N(c2cccc(Cl)c2Cl)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.23112203,False
4689,CC(C)N1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.16911598,False
4690,CC1(CN2CCN(c3cccc(F)c3)C2=O)Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.4752369,False
4691,CC1Nc2ccccc2C12CCN(CCN1CCN(c3ccc4sccc4c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.61480117,False
4692,CCCCCN(CC)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.59176564,False
4693,CCCN(CCC)C1COc2c(cccc2-c2cc(C(F)(F)F)cs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.81562555,False
4694,CCCc1cccc2c1OCC(N(CCC)CC(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.60456264,False
4695,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2cc(Br)cc(OC)c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52801114,False
4696,CCc1ccc(C)c(OS(N)(=O)=O)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1754332,False
4697,CCc1ccc(OC)c(OO)c1C(=O)NCC1CCCN1[O-],[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2054598,False
4698,CCc1cccc2c1OCC(N(Cc1ccc(OC)cc1)CC(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.41735715,False
4699,CN1CCc2ccccc2Cc2cc(N3CCN(c4cccc(Cl)c4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.5666626,False
4700,COc1cc(OC)cc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93665075,False
4701,COc1ccc(CC(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8081651,False
4702,COc1ccc2[nH]c(C(=O)NCC=CCN3CCN(c4ccc(Cl)cc4Cl)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48272008,False
4703,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(F)c(OC)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35575813,False
4704,COc1cccc(CN2CCN(c3ccc(Cl)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.3082572,False
4705,COc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41282108,False
4706,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4722618,False
4707,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccn2-c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8334602,False
4708,COc1ccnc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9488491,False
4709,Cc1cc(CN2CCN(CCN3CCN(c4ccc(Cl)cc4Cl)C3=O)CC2)c2ccccc2n1,[*]N1CCN([*])C1=O,0.5001355,False
4710,O=C(NCC=CCN1CCN(c2cc3ccc2OCCc2ccc(cc2)CC3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49374944,False
4711,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccsc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.98804975,False
4712,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc([N+](=O)[O-])cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88891727,False
4713,O=C(NN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33615294,False
4714,O=C1N(CCN2CCCCCC2)CCN1c1cccc(F)c1Cl,[*]N1CCN([*])C1=O,0.6871352,False
4715,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7469253,False
4716,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc([O-])s1,[*]N1CCN([*])C1=O,0.71492857,False
4717,O=C1N(CCN2Cc3ccccc3O2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.5669902,False
4718,O=C1N(CCON2Cc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.70309955,False
4719,O=C1N(CNCc2cccc(Cl)c2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.2150581,False
4720,O=C1N(c2cccc(Cl)c2)CCN1C1CCCCCN1,[*]N1CCN([*])C1=O,0.35395643,False
4721,C#Cc1ccc(CN(CCC)C2COc3c(CC)cccc3C2)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.6592384,False
4722,CC1(C)CC2CC1C(C)(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.5354855,False
4723,CC1(O)CCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.74442405,False
4724,CC1CN(CCN2CCN(c3cccc(Cl)c3)C2=O)CCN1C,[*]N1CCN([*])C1=O,0.8212544,False
4725,CCCN(C(C)=O)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5363728,False
4726,CCCN(CCC)C1COc2c(cccc2C(=O)OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.58540833,False
4727,CCCc1cccc2c1OCC(N(CC)Cc1ccc(C(=O)OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.2880132,False
4728,CCN1CCCC1CNC(=O)c1c(Br)ccc(S(=O)(=O)O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.77500147,False
4729,CCN1CCN(CCN2CCCc3sccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5791955,False
4730,CCOCN1CCN(c2cccc(C(C)C)c2)C1=O,[*]N1CCN([*])C1=O,0.3526386,False
4731,CCc1cccc2c1OCC(N(CO)Cc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.42248976,False
4732,COCC1CCCN(c2ccccc2CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.49496734,False
4733,COc1c(C(=O)NCCN2CCN(Oc3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.46504954,False
4734,COc1cc(OC)c(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88747156,False
4735,COc1cc(OCCF)cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9335428,False
4736,COc1ccc2c(N3CCN(CC=CCNC(=O)c4cccc(OCCF)c4)CC3)cccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6777558,False
4737,COc1ccc2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c(O)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.515451,False
4738,COc1cccc(N2CCN(CC=CCNC(=O)c3ccc(Cl)c(Cl)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.448518,False
4739,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3ccccc3cc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93801445,False
4740,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(OC)c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96260595,False
4741,COc1ccccc1Oc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88291615,False
4742,Cc1ccc(N2CCN(CC3CCCN(C)C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.38248512,False
4743,Cc1ccc(N2CCN(c3cccc(Cl)c3)C2=O)c(C)n1,[*]N1CCN([*])C1=O,0.23681377,False
4744,Cc1ccccc1C1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.74734354,False
4745,O=C(NCC=CCN1CCN(c2cc3ccccc3[nH]2)CC1)c1cc(Cl)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5007806,False
4746,O=C(NCC=CCN1CCN(c2ccc3ccc(O)cc3n2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38378096,False
4747,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)N1CCOc2ccccc21,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8081342,False
4748,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c[nH]c2c(Cl)cccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82150835,False
4749,O=C1N(CCN2CC3CCCC(CC3)C2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.6364861,False
4750,O=C1N(CCN2CCC3CCCC2CC3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.54232806,False
4751,O=C1N(c2cccc(Cl)c2)CCN1C1CCC2CC(C1)N2Cc1ccccc1,[*]N1CCN([*])C1=O,0.6399264,False
4752,CC1(C)C2CCC1N(CCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.6806591,False
4753,CC1(C)CC2CCC1(C)C(N1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.5673029,False
4754,CCCCN(F)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6088054,False
4755,CCCN(CO)C1COc2c(CC3CCCC4(CCCC4)C(=O)N3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45881137,False
4756,CN1CCCCC1CN1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.6179109,False
4757,COCC1CCCN1CN1CCN(c2ccncc2)C1=O,[*]N1CCN([*])C1=O,0.32915068,False
4758,COc1c(C(=O)NCCN2CCN(c3ccc(O)c(Cl)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.83505684,False
4759,COc1ccc(-c2ccccc2N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77977127,False
4760,COc1ccc(C)cc1N1CCN(CC=CCNC(=O)c2cccc(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5336092,False
4761,COc1cccc(-c2cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c[nH]2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83463824,False
4762,COc1ccccc1C(=O)NCC=CCN1CCN(c2c(OCCF)ccc3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36548573,False
4763,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cccs3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42776385,False
4764,COc1ccccc1C(=O)NCC=CCN1CCN(c2nccc3cc(OCCF)ccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41452324,False
4765,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3ccc(O)cc3o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8987914,False
4766,N#Cc1ccccc1N1CCN(CC(=O)NCc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.1310565,False
4767,Nc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86407995,False
4768,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccnnc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9742428,False
4769,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cc(F)cs2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9748052,False
4770,O=C(NCC=CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6205591,False
4771,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1ccc(-c2ccc(F)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4826234,False
4772,O=C1N(CC2(c3ccccc3)CCCN2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.24487673,False
4773,O=C1N(CCN2CC3CCC2CC(c2ccccc2)C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8092629,False
4774,O=C1N(CCN2CC3CCCOC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.70740354,False
4775,O=C1N(CCN2CC3CCCc4ccccc4CC2CC3)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.60082185,False
4776,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccc(Cl)cc1F,[*]N1CCN([*])C1=O,0.41547063,False
4777,O=C1N(CCN2Cc3ccccc3C2)CCN1CC1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.81504434,False
4778,O=C1N(CCNC2CCCCC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.37534064,False
4779,O=C1N(CN2CCN(Cc3ccccc3Cl)CC2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.44457,False
4780,O=C1N(Cc2ccc(Cl)c(Cl)c2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.33416122,False
4781,CCCN(CCC)C1COc2c(cccc2C(=O)c2ccc(=O)[nH]c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5961899,False
4782,CCCN(CCC)C1COc2c(cccc2C(=O)c2cccc(OC)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6210531,False
4783,CCCN(COC)C1COc2c(CCCN3C(=O)CC(C)(C)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62273526,False
4784,CCN(CN1CCN(c2cccc(Cl)c2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.6239912,False
4785,CCN1CCN(c2cccc(C(C)(C)C)c2)C1=O,[*]N1CCN([*])C1=O,0.42764908,False
4786,CCc1ccc(OC)c(C(=O)NCC2CCCN2S(C)(=O)=O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16662842,False
4787,COc1c(C(=O)NCCN2CCN(c3cccc([N+](=O)[O-])c3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.83330023,False
4788,COc1ccc(C(=O)c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4289597,False
4789,COc1cccc(N2CCN(CC3CCCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.6412452,False
4790,Cc1cc(CN(C)CN2CCN(c3ccccn3)C2=O)ccn1,[*]N1CCN([*])C1=O,0.25668618,False
4791,Cc1ccc(COCN2CCN(Cc3cccc(Cl)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.22312143,False
4792,Cc1cccc2sc(CN3CCN(c4ccccc4)C3=O)cc12,[*]N1CCN([*])C1=O,0.22462147,False
4793,N#COCc1ccccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7903169,False
4794,O=C(NCC=CCN1CCN(C2=CC=CC=CC=C2F)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45121974,False
4795,O=C(NCC=CCN1CCN(c2ccc(O)c(CCF)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49335146,False
4796,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-n2ccnc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.878446,False
4797,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccc(O)cc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90757793,False
4798,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cccc([N+](=O)[O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5851052,False
4799,O=C(NCC=CCN1CCN(c2ccccc2-c2ncco2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73346484,False
4800,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1[nH]ccc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83430755,False
4801,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccccc2Br)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8842121,False
4802,O=C1N(CC2CCCNC2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.2907931,False
4803,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1C(F)(F)F,[*]N1CCN([*])C1=O,0.6960351,False
4804,O=C1N(CCN2CCCC(c3ccc(Cl)cc3)CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.8404462,False
4805,O=C1N(CCN2CCCc3sccc3C2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.7119576,False
4806,O=C1N(CCN2CCOCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5141377,False
4807,O=C1N(Cc2ccc(Cl)cc2)CCN1C1CCOC1,[*]N1CCN([*])C1=O,0.40763754,False
4808,O=C1N(c2ccc(Cl)cc2)CCN1C1CCCCNC1,[*]N1CCN([*])C1=O,0.2312589,False
4809,O=C1N(c2ccc(F)cc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.31858116,False
4810,C#Cc1cccc(N(CCC)C2COc3c(CCC)cccc3C2)c1,[*]CN([*])C1COc2c([*])cccc2C1,0.6039035,False
4811,CC1CCCN(CCN2CCN(c3cccc(Br)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.729266,False
4812,CC1CCN(CCN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.83839756,False
4813,CCC(C)CN(CC)C1COc2c(cccc2C(=O)c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.32770503,False
4814,CCCCSc1ccc(OC)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25195593,False
4815,CCCc1cccc2c1OCC(N(CO)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5368888,False
4816,CCOc1c(Cl)ccc(OS(C)(=O)=O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18815172,False
4817,CCSc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6063283,False
4818,CCc1ccc(Cl)c(OF)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24458067,False
4819,CCc1cccc(N2CCN(C3COOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.35156497,False
4820,CN1CC2CC(N3CCN(c4cccc(Cl)c4)C3=O)CC1C(C)(C)C2,[*]N1CCN([*])C1=O,0.42566252,False
4821,COC(=O)CN1CCN(CCN2Cc3ccccc3O2)C1=O,[*]N1CCN([*])C1=O,0.27735725,False
4822,COCC1CC2CCC1CN(CCN1CCN(c3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.5820367,False
4823,COc1c(C(=O)NCCN2CCN(S(=O)(=O)c3ccccc3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.18654455,False
4824,COc1cc(N)c(Cl)cc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59309924,False
4825,COc1ccc(Cl)c(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5653784,False
4826,COc1ccccc1C(=O)NCC=CCN1CCN(c2cnc3cccc(O)c3n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4424598,False
4827,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccnc(F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9501219,False
4828,Cc1cccc(CN2CCN(C3COOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.37815985,False
4829,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccc(Cl)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5278128,False
4830,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1cccc(F)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53193396,False
4831,O=C(NCC=CCN1CCN(c2ccc3sccc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44485876,False
4832,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccnc2cc(O)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8554961,False
4833,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(-c2ccccn2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.836453,False
4834,O=C1N(CCN2CC3CCC(=CC=CC=C4CCC42)CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7058278,False
4835,O=C1N(CCN2CCc3ccsc3C2)CCN1C1COCO1,[*]N1CCN([*])C1=O,0.498152,False
4836,O=C1N(CCNCc2cccc(Cl)c2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.25483558,False
4837,O=C1N(CCNc2cccc(Cl)c2)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.5584305,False
4838,O=C1N(CN2C3CCCCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.60343343,False
4839,O=C1N(Cc2ccc(Cl)cc2)CCN1CC1NCCc2ccccc21,[*]N1CCN([*])C1=O,0.5418092,False
4840,CC1(C)CCC2CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C(C1)C2(C)C,[*]N1CCN([*])C1=O,0.7552906,False
4841,CCc1cccc2c1OCC(N(CO)CCN1C(=O)CC3(CCCCC3)CC1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.47181487,False
4842,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.7402106,False
4843,CN1C2CCC(N3CCN(Cc4cccc(Cl)c4)C3=O)CC1CC2,[*]N1CCN([*])C1=O,0.36365187,False
4844,CN1CC2CCC(Cc3ccccc31)C(N1CCN(c3cccc(Cl)c3)C1=O)NC2,[*]N1CCN([*])C1=O,0.60529006,False
4845,CN1CCCC(CN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.49665058,False
4846,COc1c(C(=O)NCCN2CCN(c3cc(C)ccc3[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7812329,False
4847,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ncccc3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7023085,False
4848,COc1cc(C)ccc1N1CCN(CC=CCNC(=O)c2ccccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49299428,False
4849,COc1ccc(N2C=C(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)C=CC=N2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8342677,False
4850,COc1ccc(N2CCN(CCN3CCN(C(C)C)CC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.78041786,False
4851,COc1cccc(CN2CCN(c3ccc4sccc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.34776735,False
4852,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3)s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8739118,False
4853,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3c2-c2ccccc2CC3=O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6882693,False
4854,C[N+](=O)c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4000696,False
4855,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1)c1ccc(-c2cccnc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.58780754,False
4856,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1cccc(OCCF)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52094644,False
4857,O=C(NCC=CCN1CCN(c2ccc3[nH]c(O)cc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41612336,False
4858,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c2cccc(OCCF)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8852258,False
4859,O=C(NCC=CCN1CCN(c2cnc3ccc(O)cc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44190806,False
4860,O=C(NCC=CCN1CCN(c2cnc3ccccc3n2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46363664,False
4861,O=C1N(CC2CCCCN(Cc3ccccc3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5679791,False
4862,O=C1N(CC2CCCCN2)CCN1c1cccc(F)c1Cl,[*]N1CCN([*])C1=O,0.41078088,False
4863,O=C1N(CCN2CCCC(C(F)F)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.89348733,False
4864,O=C1N(CCN2CCCNCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.73699725,False
4865,O=C1N(c2cccc(C(F)(F)F)c2)CCN1c1ccc2c(c1)Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.32125008,False
4866,CC(C)OC1CCC(N2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.3798639,False
4867,CC(C)OCCN1CCN(c2ccc3ccccc3c2)C1=O,[*]N1CCN([*])C1=O,0.48687905,False
4868,CC1(C)C2CCC1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.8205606,False
4869,CC1(C)CC2CCC(C1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.8180023,False
4870,CC1CCc2ccc(N3CCN(CNC(=O)c4cccc(Cl)c4)C3=O)cc2CC1,[*]N1CCN([*])C1=O,0.32321012,False
4871,CCCCN(CC1NC(=O)CC1C)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47911844,False
4872,CCCCN(O)C1COc2c(CC3CCCC3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39426914,False
4873,CCCN(O)C1COc2c(cccc2C(C)CC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6288241,False
4874,CCOc1c(C)ccc(SC)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14589067,False
4875,CN(C)c1ccc(CC(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78270775,False
4876,CN1CCCCc2cc(N3CCN(Cc4ccccc4Cl)C3=O)ccc21,[*]N1CCN([*])C1=O,0.4257101,False
4877,CN1CCN(CC2CCCNC2)C1=O,[*]N1CCN([*])C1=O,0.3459709,False
4878,CN1CCN(CCN2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.661258,False
4879,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2Cc2cccc(C)c2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.321469,False
4880,COc1c(C)ccc(Br)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22375232,False
4881,COc1ccc(Cl)cc1N1CCN(CC=CCNC(=O)c2ccc(-c3ncccc3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5761658,False
4882,COc1ccc2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2[s+]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38908702,False
4883,COc1ccc2occ(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7953423,False
4884,COc1cccc(Cl)c1C(=O)NCC=CCN1CCN(c2ccncc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41156676,False
4885,COc1cccc(N2CCN(Cc3cc(C)sc3C)C2=O)c1,[*]N1CCN([*])C1=O,0.3697086,False
4886,COc1ccccc1C(=O)NCC=CCN1CCN(NCc2ccc([N+](=O)[O-])cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.18096662,False
4887,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8226842,False
4888,Cc1ccc(N2CCN(Cc3csc4ccccc34)C2=O)cc1F,[*]N1CCN([*])C1=O,0.31181452,False
4889,Cc1ncccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.76305753,False
4890,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc2cccnc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79510254,False
4891,O=C(NCN1CCN(CC2CCNCC2)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.2179912,False
4892,O=C1N(CCN2CC3CCC2CCc2ccccc2C3)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.492191,False
4893,O=C1N(CCN2CCNCC2C(F)(F)F)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7929145,False
4894,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.27805626,False
4895,O=C1N(c2ccc3c(c2)CCCCC3)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.32883772,False
4896,C=C1CC(=O)C(C)C(C)(c2cccc3c2OCC(N(CCC)CC(C)=O)C3)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4274383,False
4897,CC(C)NC1CCCCC1N1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.18398075,False
4898,CC1(C)CC2CCC(C1)N2CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5551329,False
4899,CC1CCCCCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7456749,False
4900,CCCCCC1N(CCN2CCN(c3cccc(Cl)c3)C2=O)CC2CC21c1ccccc1,[*]N1CCN([*])C1=O,0.54382634,False
4901,CCCCN(C)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6348962,False
4902,CCCN(CC(C)(C)C)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.70483243,False
4903,CCCN(CCC)C1COc2c(cccc2-c2cc(Cl)ccc2O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.63933843,False
4904,CCCN(CCC)C1COc2c(cccc2C2CCCC(O)C2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7755118,False
4905,CCCN(CCC)C1COc2c(cccc2S(=O)(=O)c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5198468,False
4906,CCCc1cccc2c1OCC(N(CC)COC(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.63460654,False
4907,CCCc1cccc2c1OCC(N(CCC)c1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6548946,False
4908,CCN1CCCC1CNC(=O)c1c(C)ccc(CCSC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.68208945,False
4909,CCOc1c(CO)ccc(SC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23766558,False
4910,CCc1ccc(Cl)c(C(=O)NCC2CCCN2C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27831542,False
4911,CN(CCN1CCN(c2cccc(C(F)(F)F)c2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.671685,False
4912,CN(Cc1cccc(Cl)c1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4559274,False
4913,CN1CCCCCC1Cc1ccccc1N1CCN(c2ccc3ccccc3c2)C1=O,[*]N1CCN([*])C1=O,0.40072173,False
4914,CS(=O)c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36185434,False
4915,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc(N)c3)CC2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6108137,False
4916,O=C(NCC=CCN1CCN(c2c[nH]cc2-c2ccc(Cl)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59025985,False
4917,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccc(Cl)cc2)no1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78934205,False
4918,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1-c1cccs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8769103,False
4919,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(-c2cccc(O)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.701914,False
4920,O=C(NCC=CCN1CCN(c2cscc2-c2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68341726,False
4921,O=C(NCCN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cc(Br)c2ccccc2c1Br,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7413008,False
4922,O=C1N(CC2CC(C(F)(F)F)CCN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6372233,False
4923,O=C1N(CCc2cccs2)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.34413663,False
4924,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CCCCN1CCc1ccccc1,[*]N1CCN([*])C1=O,0.3810904,False
4925,CC1(C)C2CCCC1N(CCN1CCN(c3cccc(C(F)(F)F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.5911761,False
4926,CC1(C)CCN(CCN2CCN(c3ccc(F)cc3)C2=O)Cc2ccccc21,[*]N1CCN([*])C1=O,0.75498116,False
4927,CC12CCC(CC1)CC(N1CCN(Cc3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.34066367,False
4928,CC1CCCCCN1CCCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6246409,False
4929,CC1CCN(CCN2CCN(c3ccccc3)C2=O)CO1,[*]N1CCN([*])C1=O,0.75619507,False
4930,CC1CCN(Cc2cccc(N3CCN(c4cccc(Cl)c4)C3=O)c2)CC1,[*]N1CCN([*])C1=O,0.70313567,False
4931,CCCCN(CC)C1COc2c(CC(=O)c3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.333404,False
4932,CCN(CCC(C)C)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.31858954,False
4933,CCN1CCCC1CNC(=O)c1c(OC)ccc(C)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.85202783,False
4934,CCOc1c(CC)ccc(OS)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24372138,False
4935,CCc1ccc(C)c(OS)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17549506,False
4936,CN(CCN1CCN(Cc2ccccc2Cl)C1=O)Cc1ccsc1,[*]N1CCN([*])C1=O,0.45597637,False
4937,CN(CCN1CCN(c2cccnc2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.54663646,False
4938,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2[N+](C)[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3631935,False
4939,COc1c(C(=O)NCCN2CCN(c3ccccc3OS(C)(=O)=O)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8394774,False
4940,COc1ccc2c(c1)C(N1CCN(CC=CCNC(=O)c3ccccc3OCCF)CC1)OCC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38707912,False
4941,COc1cccc(N2CCN(CC=CCNC(=O)c3cccc(C(F)(F)F)c3)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5883078,False
4942,COc1ccccc1C(=O)NCC=CCN1CCN(C2=CC=C3C=CC=CC=C3C=C2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28395197,False
4943,O=C(NCC=CCN1CCN(c2ccc(Br)cc2OCCF)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.575829,False
4944,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5274444,False
4945,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]cc1-c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86421716,False
4946,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2CF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9114032,False
4947,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(O)c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8569004,False
4948,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(Oc2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88053954,False
4949,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(O)c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8296535,False
4950,O=C(NCC=CCN1CCN(c2ccnc3cccc(O)c23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68726254,False
4951,O=C1N(CC2CCNCC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.4680413,False
4952,O=C1N(CCN2CCN(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8433926,False
4953,O=C1N(COCc2cccc(Cl)c2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.21288092,False
4954,CC(C)(NCN1CCN(c2ccccc2)C1=O)C12CCC(CC1)CC2,[*]N1CCN([*])C1=O,0.3854166,False
4955,CC(CN1CCC(C(F)(F)F)CC1)N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.54361194,False
4956,CC(CN1CCN(c2ccc3c(c2)OCO3)C1=O)c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.2504879,False
4957,CC1(C)C2CCCC1(CNCCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.6761044,False
4958,CC1(C)CC2CCC(CN3CCN(c4cccc(C(F)(F)F)c4)C3=O)(C1)C2(C)C,[*]N1CCN([*])C1=O,0.4622338,False
4959,CC1CN(CCN2CCN(c3cccc(Cl)c3)C2=O)CCN1,[*]N1CCN([*])C1=O,0.8784386,False
4960,CCCCN(C(=O)NCC)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37509903,False
4961,CCCN(CCC)C1COc2c(cccc2-c2ccn(C)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71888053,False
4962,CCON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3646761,False
4963,CCOc1c(C)ccc(Br)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18032311,False
4964,CCc1ccc(OC)c(C(=O)NCC2CCCN2CS)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6303352,False
4965,CN1CCCCCC1CN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5430898,False
4966,COc1ccc(-c2cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)co2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8464327,False
4967,COc1ccc(F)cc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67562085,False
4968,COc1cccc(CNC(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7637395,False
4969,COc1cccc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.342562,False
4970,COc1cccc2c1CCC(NCCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.6743513,False
4971,COc1ccccc1C(=O)NN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.19247992,False
4972,COc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8704655,False
4973,COc1ccccc1NC(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48441234,False
4974,Cc1ccc(Cl)nc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38699216,False
4975,O=C(NCC=CCN1CCN(c2ccc(CCF)cc2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44775167,False
4976,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc([N+](=O)[O-])ccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8485691,False
4977,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c[nH]c2c(O)cccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7825436,False
4978,O=C1N(CC2CCCCN2Cc2ccccc2)CCN1c1cc(Cl)cc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.3664323,False
4979,O=C1N(CCN2CCN(C3CCOCC3)C2=O)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.58876014,False
4980,O=C1N(c2cccc(Cl)c2)CCN1c1cccc2c1-c1ccccc1CC2,[*]N1CCN([*])C1=O,0.35441393,False
4981,[N+]c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4702364,False
4982,CC(C)Oc1ccccc1N1CCN(CCN2Cc3ccccc3C2C)C1=O,[*]N1CCN([*])C1=O,0.51619923,False
4983,CC(NCN1CCN(c2cccc(Cl)c2)C1=O)c1cccc(C#N)c1,[*]N1CCN([*])C1=O,0.4558163,False
4984,CC1(C)Cc2ccccc2N1CCN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.5203397,False
4985,CCCCN(C1CCCCC1)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3891132,False
4986,CCCN(Cc1ccoc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6361112,False
4987,CCCc1cccc2c1OCC(N(CC)CC(=O)c1ccc(=O)oc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.2653868,False
4988,CCOc1cccc(OC)c1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3648476,False
4989,CCSCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17155251,False
4990,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([N+])c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.32684448,False
4991,COc1c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(Br)c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91122687,False
4992,COc1c(C(=O)NCCN2CCN(Cc3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.48971742,False
4993,COc1cc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3)CC2)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46879503,False
4994,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)cc2)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46629745,False
4995,COc1ccc2ncc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88297665,False
4996,COc1cccc(C(C)N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8221125,False
4997,COc1cccc(N2CCN(CC=CCNC(=O)c3ccc(F)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8562078,False
4998,Cc1ccccc1-c1c(C(=O)NCCN2CCN(Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.36586285,False
4999,N#Cc1ccccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8152815,False
5000,O=C(NCC=CCN1CCN(Oc2ccc3ncccc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3046835,False
5001,O=C(NCC=CCN1CCN(c2cc(-c3ccc(F)cc3)c[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48758087,False
5002,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c2c(OCCF)cccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7790771,False
5003,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ncccc2Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95036083,False
5004,O=C1N(CC2CC2c2ccccc2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.35180196,False
5005,O=C1N(CC2CCc3ccoc3C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.57281166,False
5006,O=C1N(CCN2CCCCCN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7089968,False
5007,O=C1N(CCN2CCCc3sccc3C2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.6987005,False
5008,O=C1N(CCN2CCN(Cc3ccc4ccccc4c3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7347127,False
5009,O=C1N(CCNC2Cc3ccccc3CC3CCCCC32)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.38816723,False
5010,CC(CN1CCN(COCc2cccc(Cl)c2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.34709236,False
5011,CC1(C)C2CNCCC1(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.5960422,False
5012,CCCCN(CC)C1COc2c(cccc2C(=O)c2ccc(C=O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3722113,False
5013,CCCCN(CC1CCCCC1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53794205,False
5014,CCCCN(c1ccc(OC(F)(F)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47251442,False
5015,CCCN(CCC)C1COc2c(cccc2-c2cnco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.73255736,False
5016,CCCN(CO)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6090808,False
5017,CCCN(O)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57277197,False
5018,CCN(C)Cc1cccc(CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.49235672,False
5019,CN1CCCCC(CN2CCN(c3cccc(C#N)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.4662667,False
5020,CN1Cc2ccccc2C1CN1CCN(c2ccc(F)c(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.6999086,False
5021,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cc(C)cc(C)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.32391688,False
5022,COc1ccc(CNCC(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79153836,False
5023,COc1cccc(Cl)c1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(O)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36062843,False
5024,COc1cccc(N2CCN(CCN3CC4CCC3CCc3ccccc3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.5596703,False
5025,COc1cccc(N2CCN(COC(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.39704248,False
5026,COc1cccc([N+](=O)N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.40860328,False
5027,C[N+]c1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4349408,False
5028,O=C(CN1CCN(c2cccc(F)c2)C1=O)NCc1cccs1,[*]N1CCN([*])C1=O,0.09327332,False
5029,O=C(NCC=CCN1CCN(C2=CC=CCC2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39596006,False
5030,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1ccncc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46447814,False
5031,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1c(Cl)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.530879,False
5032,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(F)n2)c(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8714795,False
5033,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1nccs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84437585,False
5034,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7967878,False
5035,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccc(Cl)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8303442,False
5036,O=C(NCC=CCN1CCN(c2ccccc2N[N+](=O)[O-])CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5662569,False
5037,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccc(F)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.98791045,False
5038,O=C1N(CCN2CCCCCC2)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.71437603,False
5039,O=C1N(CCNCc2ccc3ccccc3c2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.32982713,False
5040,O=C1N(CCNCc2ccccc2Cl)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.2988483,False
5041,O=C1N(c2cccc(CN3CCCCCC3)c2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.42473465,False
5042,CC12CCCC(CN(CCN3CCN(c4ccccc4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.7068436,False
5043,CC1CCCCN1CCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.47957548,False
5044,CCCCN(O)C1COc2c(CCNC(C)=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.30278432,False
5045,CCCCN1CCCC1CNC(=O)c1c(Cl)ccc(CCC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5565604,False
5046,CCCN(Cc1cccoc1=O)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52581775,False
5047,CCn1cccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8186257,False
5048,COCC1C2CCC1C(N1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.47726774,False
5049,COc1cc2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)cc2cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4142581,False
5050,COc1ccc(-c2c(C(=O)NCCN3CCN(C#N)CC3)cc(Br)c3ccccc23)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39353547,False
5051,COc1ccc(C(=O)NCC=CCN2CCN(c3cc4cccc(O)c4[nH]3)CC2)cc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35244942,False
5052,COc1ccc2c(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)coc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4390754,False
5053,COc1ccc2c(c1)Cc1ccc(c(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)c1)CO2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6497921,False
5054,COc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1N,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6905812,False
5055,COc1cccc2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91015625,False
5056,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3c[nH]c(O)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41993022,False
5057,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Cl)cc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60285175,False
5058,COc1ccccc1N1CCN(CC=CCNC(=O)N2CCCCC2c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5460388,False
5059,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(O)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9357229,False
5060,Cc1ccc2[nH]cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37121284,False
5061,Cc1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3O)CC2)c1C,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.83297676,False
5062,N#Cc1cccc(CN2CCN(CCN3CCC[S+]([O-])C3)C2=O)c1,[*]N1CCN([*])C1=O,0.528881,False
5063,O=C(NCC=CCN1CCN(OCc2ccccc2)CC1)c1ccccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.22094718,False
5064,O=C(NCC=CCN1CCN(c2ccc(-c3c[nH]c(O)c3)cc2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3859097,False
5065,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(O)c3F)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4857451,False
5066,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C(=O)c1ccc(-c2ccsc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8700077,False
5067,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2cc(O)ccn2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8601607,False
5068,O=C1N(CCN2CCCC(c3ccc(Cl)cc3)CC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.80607826,False
5069,O=C1N(c2cccc(Cl)c2)CCN1c1ccc2c(c1)C1OCCNC1C2,[*]N1CCN([*])C1=O,0.41115454,False
5070,CC(CN1CCN(C2COOC2)C1=O)N1CCCCC1,[*]N1CCN([*])C1=O,0.22388025,False
5071,CC1CCC(C)(C)CN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.680209,False
5072,CC1CCN(CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.68515915,False
5073,CCCCN(c1cccs1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5927651,False
5074,CCCN(CC)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.68265456,False
5075,CCCc1cccc2c1OCC(N(CC)CC(=O)c1cccc(OC)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.29803675,False
5076,CCCc1cccc2c1OCC(N(CCC)c1cc(C)cs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6328593,False
5077,CCCc1cccc2c1OCC(N(CO)CNC(=O)c1ccc3ccccc3c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.2742656,False
5078,CCOc1c(C)ccc(CSCC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16458564,False
5079,CCc1cccc2c1OCC(N(CC(C)C)Oc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4352284,False
5080,CN1CCCCCC1CN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.40192804,False
5081,CN1CCc2ccccc2C1CN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.55992156,False
5082,COc1cc(OC)cc(-c2c(C(=O)NCCN3CCN(c4ccccc4OC)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.77871376,False
5083,COc1ccc2[nH]c(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9759347,True
5084,COc1cccc(-c2cccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8732262,False
5085,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(OCCF)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42519593,False
5086,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3ccc2CCc2ccc(cc2)CC3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55936414,False
5087,Cc1ccccc1-c1csc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7888121,False
5088,Cc1csc(NC2CCC(N3CCN(Cc4ccccc4)C3=O)CC2)n1,[*]N1CCN([*])C1=O,0.32289478,False
5089,O=C(Cc1ccc(-c2cccc(O)n2)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76751685,False
5090,O=C(NCC=CCN1CCN(c2cc3cccc(O)c3s2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3694114,False
5091,O=C(NCC=CCN1CCN(c2ccc([N+](=O)[N+](=O)[O-])cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41581318,False
5092,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(Cl)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.935951,False
5093,O=C(NCCN1CCN(CO[O-])CC1)c1cc(Br)c2ccccc2c1-c1ccc([N+](=O)[O-])cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.26680833,False
5094,O=C1N(CC2NCCc3ccccc32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.56065065,False
5095,O=C1N(CCN2CCCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.57883,False
5096,O=C1N(CCN2Cc3ccc(Cl)cc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.7093109,False
5097,O=C1N(CN2CCCC(OCc3ccccc3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.60938716,False
5098,O=C1N(Cc2ccccc2)CCN1CC1COCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.37120372,False
5099,O=C1N(Cc2cccs2)CCN1Cn1cccc1,[*]N1CCN([*])C1=O,0.35374385,False
5100,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.22333002,False
5101,C=CN(CCCC)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5486769,False
5102,CC(C)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8846357,True
5103,CCCCN(Cc1ccccc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5045701,False
5104,CCCCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1CO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.409891,False
5105,CCCN(CC(C)=O)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53593475,False
5106,CCCc1cccc2c1OCC(N(CCC)c1ccc(C(=O)O)o1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4558232,False
5107,CCCc1cccc2c1OCC(N(CO)C1CCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5035061,False
5108,CCCc1cccc2c1OCC(N(CO)CC1CCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4897715,False
5109,CCCc1cccc2c1OCC(N(COC)C1CC(=O)CCC1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.42257658,False
5110,CCc1cccc2c1OCC(N(CO)C(C)CC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.42393634,False
5111,CN(CN1CCN(c2ccccc2)C1=O)CC12CCC(CC1)CC(C)(C)C2,[*]N1CCN([*])C1=O,0.4652713,False
5112,CN1CCCCCC1CN1CCN(c2ccsc2)C1=O,[*]N1CCN([*])C1=O,0.4544094,False
5113,COc1c(C(=O)NCCN2CCN(c3ccccc3[N+](=O)c3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8225936,False
5114,COc1ccc(C=O)c(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55428827,False
5115,COc1ccc(N2CCN(CC=CCNC(=O)c3c(Cl)cccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4424251,False
5116,COc1ccc(OCCF)c(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50569606,False
5117,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3ccc(O)cc3c2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5622793,False
5118,COc1ccccc1N1CCN(CC=CCNC(=O)c2sccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91158277,False
5119,Cc1cc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9238711,False
5120,Cc1ccc(C)n1CCN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.5296447,False
5121,N#Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.88856447,False
5122,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1[nH]c(O)cc1-c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92133105,False
5123,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)NC(=O)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.773101,False
5124,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65177375,False
5125,O=C(NCC=CCN1CCN(c2ccccc2NO)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6184127,False
5126,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1Nc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5618891,False
5127,O=C1N(C2CCCNC2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.21008727,False
5128,O=C1N(CCN2CCN(Cc3cccc(Cl)c3)CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.77744526,False
5129,O=C1N(CCN2CCc3ccccc3C2)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.60132426,False
5130,O=C1N(Cc2ccccn2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.33139706,False
5131,C#CN1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.932935,False
5132,CC(C)N1CCN(CCN2CCN(C(C)C)C2=O)CC1,[*]N1CCN([*])C1=O,0.5564169,False
5133,CC1(C)CC(c2ccccc2)CN(CCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.7340963,False
5134,CC1CCC2CN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC1C2(C)C,[*]N1CCN([*])C1=O,0.78380966,False
5135,CCCCN(c1ccc(Br)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49018237,False
5136,CCCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6592593,False
5137,CCCc1cccc2c1OCC(N(CCC)c1cnco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.63220876,False
5138,CCCc1cccc2c1OCC(N(CO)CCCN1C(=O)CCC3(CCCC(=O)C3)CC1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5116976,False
5139,CCc1ccc(COC)c(OBr)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22128877,False
5140,COc1cc2ccccc2cc1N1CCN(CC=CCNC(=O)c2ccccc2[N+](=O)[O-])CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49099687,False
5141,COc1cccc(C(=O)NCC=CCN2CCN(c3ccncc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46785283,False
5142,COc1cccc(N2CCN(CCN3CCCC(C(F)(F)F)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8342513,False
5143,COc1cccc(N2CCN(CCNCC34CCC(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.55534345,False
5144,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc3c2-c2ccccc2C3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59407395,False
5145,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3ccccc3oc2=O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80763626,False
5146,COc1ccccc1N1CCN(CCN2CCc3sc(C)cc3C2)C1=O,[*]N1CCN([*])C1=O,0.5252249,False
5147,Cc1ccc(Cl)c(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70996946,False
5148,Cc1cccc2c1OCC(N(Cc1ccoc1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.453731,False
5149,Cc1ccsc1CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.70856535,False
5150,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccc2c(c1)Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5787296,False
5151,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc[nH]c1-c1cccs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.818652,False
5152,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1cc2cc(OCCF)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4509799,False
5153,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(OCCF)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8982772,False
5154,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc2c1-c1ccccc1C2=O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7691511,False
5155,O=C1N(CC2C=Cc3ccccc3C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.5774018,False
5156,O=C1N(CC2CCCCN2Cc2ccc(Cl)cc2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.41823965,False
5157,O=C1N(CCN2CCC3CCC(CCc4ccccc4C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7652708,False
5158,O=C1N(CCN2CCCc3sccc3C2)CCN1c1cccc(Br)c1,[*]N1CCN([*])C1=O,0.7587842,False
5159,O=C1N(c2ccncc2)CCN1c1cccc(OCC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.2145079,False
5160,C#CCN(c1ccccc1)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5342077,False
5161,CC(C)(C)c1ccc(CN2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.7142936,False
5162,CC(C)c1cccc2c1OCC(N(CCl)CC1CCCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.504205,False
5163,CC1(C)C2CCC1(CN1CCN(c3cccc(C(F)(F)F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.48855135,False
5164,CC1=CC=C(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)C([O-])=CC=C1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.26885912,False
5165,CCCCN(C1COc2c(CC)cccc2C1)S(=O)(=O)c1ccc(OC(F)(F)F)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.3568327,False
5166,CCCCN(c1ccc(S(C)(=O)=O)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3494685,False
5167,CCCN(c1cccc(C(F)(F)F)c1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.55979,False
5168,CCCc1cccc2c1OCC(N(CC)CCn1ccc(C(F)(F)F)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.61495095,False
5169,CCN(CC(C)C)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5937708,False
5170,CCc1ccc(C)c(OCCCCF)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16149619,False
5171,CCc1ccc(OSC)c(C(=O)NCC2CCCN2O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19439895,False
5172,CN(C)c1ccc(C(=O)N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.15836951,False
5173,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([N+][O-])c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.32558495,False
5174,COc1ccc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)cc1[N+](=O)[O-],[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3293873,False
5175,COc1ccc2c(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)ccnc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50118685,False
5176,COc1ccccc1N1CCN(CC=CCNC(=O)CCOc2ccc(C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5919768,False
5177,COc1ccccc1N1CCN(CC=CCNC(=O)c2sc3ccccc3c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8588403,False
5178,O=C(NCC=CCN1CCN(Oc2ccncc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35086244,False
5179,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6394392,False
5180,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c(-c2ccccc2)c1CF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8714254,False
5181,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1-c1cccs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8282823,False
5182,O=C(NCN1CCN(c2ccccc2)C1=O)c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.124062136,False
5183,O=C1CCc2ccc(OCCN3CCN(c4cccc(Cl)c4)C3=O)cc2N1,[*]N1CCN([*])C1=O,0.67472494,False
5184,O=C1N(CCN2CCCCC3(CCCCC3)C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.6777358,False
5185,O=C1N(CCN2CCN(Cc3ccns3)CC2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.6164367,False
5186,O=C1N(Cc2cccc(Cl)c2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.33650678,False
5187,O=C1N(c2ccccc2Cl)CCN1C1COc2ccccc2C1,[*]N1CCN([*])C1=O,0.34232372,False
5188,C=CCOc1c(C)ccc(C)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16540302,False
5189,CC1CCCN(CCN2CCN(c3ccc(Cl)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7597815,False
5190,CC=C(C)c1cccc2c1OCC(N(CC)CO)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.50020266,False
5191,CCCCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6313842,False
5192,CCCCc1ccc(CC)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27820528,False
5193,CCN1CCCC1CNC(=O)c1c(F)ccc(C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.83551955,False
5194,CCOOc1c(CC)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1494617,False
5195,CCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1F,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.13947167,False
5196,CCOc1c(CC)ccc(C)c1C(=O)NCC1CCCN1CSC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.41992188,False
5197,CCc1ccc(C)c(OCCCCS)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17864998,False
5198,COc1c(C(=O)NCCN2CCN(NC(=O)c3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35760978,False
5199,COc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c(Br)cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9348534,False
5200,COc1cc(F)ccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6327082,False
5201,COc1ccc2cc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)oc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35112238,False
5202,COc1cccc(CCN2CCN(C3CCCOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.37965515,False
5203,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3nc(O)c[nH]3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94911623,False
5204,C[N+]c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42357478,False
5205,Cc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71529067,False
5206,Cc1ccc(N2CCN(C3CCCNC3)C2=O)s1,[*]N1CCN([*])C1=O,0.33600697,False
5207,Cc1cccc(C(F)CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.40242118,False
5208,N#CCOc1cccc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.41479895,False
5209,O=C(NCC=CCN1CCN(c2cc(O)[nH]c2-c2ccccc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.58864754,False
5210,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(Cl)cc3)[nH]2)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47484645,False
5211,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccc1Oc1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53327024,False
5212,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C(NCCF)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9224081,False
5213,O=C(NCC=CCN1CCN(c2cccc(Cl)n2)CC1)c1cccc([N+](=O)[O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33898118,False
5214,O=C(NCC=CCN1CCN(c2cccc3c2C=CC=Cc2ccccc2C3)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46802318,False
5215,O=C1N(CCN2CCC3CCCCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6635996,False
5216,O=C1N(CCN2CCc3ccc(Cl)cc3C2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.66809857,False
5217,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1ccsc1,[*]N1CCN([*])C1=O,0.7252838,False
5218,O=C1N(CCOC2CCCCC2)CCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.39917645,False
5219,O=C1N(c2cccc(CN3CCCCC3)c2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.35499084,False
5220,O=C1N(c2cccc(Cl)c2)CCN1c1ccc2c(c1)OCCN2,[*]N1CCN([*])C1=O,0.23891105,False
5221,C=CN(Cc1ccc(OC)cc1)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5706843,False
5222,CC(NCCN1CCN(c2cccc(C#N)c2)C1=O)c1ccccc1,[*]N1CCN([*])C1=O,0.37619722,False
5223,CC1(C)C2CCC3CC1(C3)CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.78550905,False
5224,CC1(C)c2ccccc2CN1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5348353,False
5225,CC1CCCCCN1CCN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.56561536,False
5226,CCCCN(C(=O)c1ccco1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3383508,False
5227,CCCCN(O)C1COc2c(Cc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4566302,False
5228,CCCN(C(=O)O)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.36101344,False
5229,CCCN(CCC)C1COc2c(cccc2Oc2cccc(C(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7806992,False
5230,CCCN(Cc1cc[nH]c1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6232916,False
5231,CCN1CCc2cc(N3CCN(c4ccnc(C)c4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.38990963,False
5232,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3c(c2)CCc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42976627,False
5233,CCc1ccc(C)c(C(=O)NCC2CCCN2O)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15904629,False
5234,CN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.36525193,False
5235,COCC1C2CCN(Cc3ccccc3)C1CC(N1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.44017178,False
5236,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7461372,False
5237,COc1cc(OC)cc(C(=O)NCC=CCN2CCN(c3ccc(-c4ccccc4)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3915369,False
5238,COc1cc2cccc(OC)c2cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8970679,False
5239,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4482706,False
5240,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3OC)CC2)cc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40854347,False
5241,COc1ccc2oc(C(=O)NC(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82185394,False
5242,Cc1ccc2cc(N3CCN(CCN4Cc5ccccc5C4)C3=O)ccc2c1,[*]N1CCN([*])C1=O,0.86310893,False
5243,Cc1cccc(-c2c(C(=O)NCCN3CCN(CO)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.30891922,False
5244,Cc1cccc(-c2c(C(=O)NCCN3CCN(N)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33353552,False
5245,O=C(NCC=CCN1CCN(Cc2cccc(Cl)c2)CC1)c1cccs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39534116,False
5246,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ncccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.98730826,True
5247,O=C(NCC=CCN1CCN(c2ccccc2OCF)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94677794,False
5248,O=C1N(CCN2Cc3ccccc3C2CO)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5273691,False
5249,O=C1N(Cc2ccc(Cl)c(Cl)c2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.30647466,False
5250,O=C1N(c2ccc3sccc3c2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.28323546,False
5251,CC(C)N(CO)C1COc2c(CC3CCCC(=O)C3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.24736992,False
5252,CC1CN(CCN2CCN(c3ccccc3)C2=O)CCCN1,[*]N1CCN([*])C1=O,0.71599114,False
5253,CCCCN(CC)C1COc2c(cccc2C(=O)c2cccc3ccccc23)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.35804003,False
5254,CCCN(Cc1ccc(C(F)(F)F)cc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.61858445,False
5255,CCCN(c1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6376383,False
5256,CCN(C)CCN1CCN(Cc2cccnc2)C1=O,[*]N1CCN([*])C1=O,0.44757897,False
5257,CCOc1c(CC)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.26615906,False
5258,CCc1ccc(C)c(OBr)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.63786465,False
5259,CCc1ccccc1-c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.42549163,False
5260,CN(C)CCN1CCN(CC2COCO2)C1=O,[*]N1CCN([*])C1=O,0.3846941,False
5261,CN(Cc1ccccc1)C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75361073,False
5262,COCN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([N+](=O)[O-])c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.21928431,False
5263,COc1c(C(=O)NCCN2CCN(c3ccccc3CO)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.87069124,False
5264,COc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87221533,False
5265,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93607,False
5266,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7935317,False
5267,COc1ccccc1N1CCN(CC=CCNC(=O)C=Cc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7510709,False
5268,COc1ccccc1N1CCN(CCN2CCN(C(C)C)CC2)C1=O,[*]N1CCN([*])C1=O,0.68657684,False
5269,Cc1nc(O)ccc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35920432,False
5270,NC(=O)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6999693,False
5271,O=C(NCC=CCN1CCN(c2cc(Cl)ccc2Cl)CC1)c1cc[nH]c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55761606,False
5272,O=C(NCC=CCN1CCN(c2ccc(F)c(O)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45359024,False
5273,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(Cl)c2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88375676,False
5274,O=C(NCC=CCN1CCN(c2ccnc(-c3ccc(O)cc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52671695,False
5275,O=C1N(CC(N2CCCCCC2)C(F)(F)F)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.45615283,False
5276,O=C1N(CC23CCCCC2CNC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.58985364,False
5277,O=C1N(CCN2CCC(C(F)(F)F)C2)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.6946136,False
5278,O=C1N(Cc2ccccc2)CCN1CC1CCCCC1,[*]N1CCN([*])C1=O,0.43265897,False
5279,O=C1N(c2cccc(F)c2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.33498788,False
5280,C=CCN1CCCC1CNC(=O)c1c(O)ccc(Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.60063326,False
5281,CC(C)N1CCN(CC2CCCCN(Cc3cccc(Cl)c3)C2)C1=O,[*]N1CCN([*])C1=O,0.31674516,False
5282,CC(C)Oc1cccc(N2CCN(CC3CCCCNC3)C2=O)c1,[*]N1CCN([*])C1=O,0.3195301,False
5283,CC1(C)CC2CCC(C)(CN2CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.8281192,False
5284,CC12CCC(CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1)C2,[*]N1CCN([*])C1=O,0.8346194,False
5285,CC1CCCCN1C(C)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.55129683,False
5286,CCCCN(C)C1COc2c(cccc2C(=O)c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42611387,False
5287,CCCN(C=O)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5088574,False
5288,CCCN(Cc1ccccc1)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5223679,False
5289,CCCc1cccc2c1OCC(N(CC)C(=O)c1ccco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.32873514,False
5290,CCN(C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85892487,False
5291,CCOc1c(O)ccc(Br)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23718293,False
5292,CN1CC2(CN3CCN(c4cccc(Cl)c4F)C3=O)CCCC1C2(C)C,[*]N1CCN([*])C1=O,0.4102359,False
5293,COc1ccc(C=CN2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.22570069,False
5294,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3cc(OCCF)ccc3cn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8971155,False
5295,Cc1cc(N2CCN(CCN(C)Cc3ccccn3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.4583336,False
5296,O=C(NCC=CCN1CCN([N+](=O)c2ccccc2F)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30379048,False
5297,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1cc2cc(OCCF)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4741003,False
5298,O=C(NCC=CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1cccc(Cl)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42589504,False
5299,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1c[nH]c(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4171164,False
5300,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(-c2ccc(O)cc2)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.886612,False
5301,O=C1N(CCCN2Cc3ccccc3C2)CCN1Cc1ccccc1Cl,[*]N1CCN([*])C1=O,0.70795876,False
5302,O=C1N(CCN2CCC3CCC2Cc2ccccc2C3)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.6117365,False
5303,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc2c1CCO2,[*]N1CCN([*])C1=O,0.7141993,False
5304,O=C1N(CNCc2ccc3sccc3c2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.20623258,False
5305,O=C1N(COCC#Cc2ccccc2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.32341123,False
5306,O=C1N(c2csc3ccccc23)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.22208367,False
5307,O=Cc1c(C(=O)NCCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.6759798,False
5308,C=Cc1cccc2c1OCC(N(CO)CCCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.53793526,False
5309,CC(C)OC1CCCc2ccc(N3CCN(c4cccc(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.4755436,False
5310,CC(C)c1ccc(N2CCN(CCN3CCCCCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.72924286,False
5311,CCCCN(CC)C1COc2c(cccc2OC(F)(F)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5556863,False
5312,CCCN(CCC)C1COc2c(cccc2-c2cc(C(=O)c3ccccc3)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56469595,False
5313,CCCc1cccc2c1OCC(N(C)Cc1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.60166335,False
5314,CCCc1cccc2c1OCC(N(CCC)C(O)c1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.41780746,False
5315,CCN(CC)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37466204,False
5316,CCOc1c(C)ccc(S)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.65491647,False
5317,COc1c(C(=O)NCCN2CCN(C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39727676,False
5318,COc1c(C(=O)NCCN2CCN(c3c([O-])cccc3Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.75153744,False
5319,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40727702,False
5320,COc1ccc(Cl)cc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.82975197,False
5321,COc1cccc(N2CCN(CC=CCNC(=O)c3ccc4ccccc4c3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82909584,False
5322,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3cc(O)ccc3cn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8906917,False
5323,Cc1cccc(N2CCN(CC3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.5781834,False
5324,O=C(NCC=CCN1CCN(CCF)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4019419,False
5325,O=C(NCC=CCN1CCN(Cc2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4037614,False
5326,O=C(NCC=CCN1CCN([N+](=O)c2cccc(Cl)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28364155,False
5327,O=C(NCC=CCN1CCN(c2cc(OCCF)ccc2[O-])CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59141546,False
5328,O=C(NCC=CCN1CCN(c2cccnc2Cl)CC1)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6632686,False
5329,O=C(NCC=CCN1CCN(c2cnc3ccccc3c2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42892084,False
5330,O=C(NCC=CCN1CCN(c2cncc3ccccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65281326,False
5331,O=C1N(CCN2CCC3CCCC(C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8864865,False
5332,O=C1N(CCN2CCCC23CCCCc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.54909736,False
5333,O=C1N(CCN2CCN(CC(F)(F)F)CC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.81852746,False
5334,O=C1N(CCN2Cc3ccccc3C2)CCN1C(F)(F)F,[*]N1CCN([*])C1=O,0.8425585,False
5335,O=C1N(c2cccc(Cl)c2)CCN1C1COC2(CCCCN(Cc3ccccc3)C2)C1,[*]N1CCN([*])C1=O,0.44499135,False
5336,O=Cc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93486434,False
5337,CC1(CN2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CCNCC1,[*]N1CCN([*])C1=O,0.31847146,False
5338,CC1CCCCN1Cc1cccc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.4412596,False
5339,CC1Cc2ccccc2N1C(C)N1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.5172079,False
5340,CCCN(CC(=O)c1ccccc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.33276603,False
5341,CCCc1ccc(C)c(C(=O)NCC2CCCN2O)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.12793623,False
5342,CCCc1cccc2c1OCC(N(CC=O)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.30076492,False
5343,CCN(CC)CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.42437547,False
5344,CN1CCN(CCN2CCN(c3ccccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.66440177,False
5345,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c(O)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55717963,False
5346,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60587364,False
5347,COc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9268419,False
5348,COc1ccccc1-c1cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)n[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40463302,False
5349,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Cl)cc3cccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56350744,False
5350,COc1ccccc1N1CCN(CC=CCNC(=O)NCc2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83233213,False
5351,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccc(Br)cc3)co2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8587213,False
5352,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Cl)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96381056,False
5353,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3c2-c2ccccc2CC3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85587263,False
5354,Cc1cc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)cs1,[*]N1CCN([*])C1=O,0.7574942,False
5355,Cc1ccc(N2CCN(Cc3ccccc3)C2=O)s1,[*]N1CCN([*])C1=O,0.38080415,False
5356,Cc1cccc(N2CCN(CCNCc3ccc4sccc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.27145013,False
5357,Cc1ccnc(CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3585735,False
5358,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)c1ccccc1COCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45335495,False
5359,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccc(CCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5109486,False
5360,O=C(NCC=CCN1CCN(c2cccc3c2OCCc2ccccc2-3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60923207,False
5361,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc2cc(OCCF)ccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78420115,False
5362,O=C1N(CC2CCCNCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6969987,False
5363,O=C1N(CCN2C3CCC2Cc2ccccc2C3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.6568855,False
5364,O=C1N(CCN2CCCCCC2)CCN1Cc1cccc(F)c1,[*]N1CCN([*])C1=O,0.66245735,False
5365,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc2ccccc2cn1,[*]N1CCN([*])C1=O,0.8163692,False
5366,O=C1N(CCOCC2CCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.73429143,False
5367,O=C1N(Cc2ccc(F)cc2)CCN1CC1CCCCN1,[*]N1CCN([*])C1=O,0.34482962,False
5368,O=C1N(c2ccc(F)cc2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.2534481,False
5369,CC1(C)CC2CCC1CC(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.5599073,False
5370,CC1CCC(N2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.43201116,False
5371,CCCN(Cc1ccoc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6475587,False
5372,CCCc1ccc(CC)c(OC)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25080496,False
5373,CCOc1c(CCF)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.249717,False
5374,CCc1ccc(CCCCl)c(C(=O)NCC2CCCN2SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.29778033,False
5375,CCc1cccc2c1OCC(N(CC(C)=O)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.29136983,False
5376,COCCN1CCc2ccc(N3CCN(c4cc5ccccc5s4)C3=O)cc2C1,[*]N1CCN([*])C1=O,0.56719726,False
5377,COc1c(C(=O)NCCN2CCN([O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.42254725,False
5378,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87353945,False
5379,COc1ccc2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)nc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3314344,False
5380,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3cc(O)ccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96270907,False
5381,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C)c(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8497043,False
5382,Cc1cc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)ccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8973942,False
5383,Cc1cccc(N2CCN(C3CCCCN3Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.25452235,False
5384,Cc1cccc(N2CCN(CC3CCCOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.31460983,False
5385,Cc1cccc(N2CCN(CNCCc3ccc4c(c3)COCO4)C2=O)c1,[*]N1CCN([*])C1=O,0.29973355,False
5386,O=C(CCN1CCN(c2cccc(Cl)c2)C1=O)c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.4977874,False
5387,O=C(NCC=CCN1CCN(c2ccc(Oc3ccccc3)cc2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33952543,False
5388,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2Br)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7565049,False
5389,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccc(O)nc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9467691,False
5390,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cscc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94908905,False
5391,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1c[nH]c2ccc(OCCF)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.442503,False
5392,O=C(NCC=CCN1CCN(c2ccccc2-c2cnccn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78661454,False
5393,O=C1N(CC2CCCNC2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.40183985,False
5394,O=C1N(CC2CNCOC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.59346306,False
5395,O=C1N(CCN2CC3CCc4ccccc4C(CC3)C2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.7164641,False
5396,O=C1N(CCN2CCc3ccccc3C2)CCN1c1csc(-c2ccccc2)c1,[*]N1CCN([*])C1=O,0.6360314,False
5397,O=C1N(CNCOC2CCCCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.29114857,False
5398,O=C1N(Cc2cccc(Cl)c2)CCN1C1CCCCNC1,[*]N1CCN([*])C1=O,0.3250013,False
5399,CC1(C)C2CCC1(CN1CCN(c3cccc(C#N)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.5120673,False
5400,CC1(C)CC2CCC1CN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7754424,False
5401,CC1=CC=C([O-])C(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)=CC=C1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3469211,False
5402,CCCCN(CC)C1COc2c(cccc2-c2cc(C)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42860427,False
5403,CCCCN(c1cnoc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4874282,False
5404,CCCN(CCC)C1COc2c(cccc2-c2cc(C)no2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6689934,False
5405,CCCOc1ccc(CC)c(C(=O)NCC2CCCN2C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.31554684,False
5406,CCc1ccc(Br)c(C(=O)NCC2CCCN2C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2728198,False
5407,CCc1ccc(Cl)c(C(=O)NCC2CCCN2Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.26756796,False
5408,CN(Cc1cccc(C#N)c1)CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.4237735,False
5409,CN1CCC(CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.718017,False
5410,COCC1C2CCC1(CN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.53462136,False
5411,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9241121,False
5412,COc1cccc(C(=O)NCC=CCN2CCN(c3cc4cc(OCCF)ccc4[nH]3)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33523214,False
5413,COc1cccc(CC2CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.8678695,False
5414,C[N+]c1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88528603,False
5415,Cc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34928006,False
5416,Cc1ccccc1CNC(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.06196921,False
5417,Cc1ccccc1N1CCN(CCN2CCCCCC2)C1=O,[*]N1CCN([*])C1=O,0.57160205,True
5418,Cc1csc(N2CCN(C3CCCNC3)C2=O)c1,[*]N1CCN([*])C1=O,0.20479451,False
5419,N#Cc1cc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.8200507,False
5420,N#Cc1ccc2c(c1)CCCNC2CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5990841,False
5421,O=C(NCC=CCN1CCN(N2CCc3ccccc3-c3ccccc3C2=O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34598038,False
5422,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccc(OCCF)cc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41913378,False
5423,O=C1N(CCNCc2ccc3ccccc3c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.37708604,False
5424,O=C1N(CN2CCC(c3ccccc3)CC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.6359094,False
5425,O=C1N(CNCc2cccc3ccccc23)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.30749565,False
5426,O=C1N(c2cccc(F)c2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.25560996,False
5427,O=C1N(c2ccccn2)CCN1C1CCc2cc(CN3CCCCC3)ccc2C1,[*]N1CCN([*])C1=O,0.35546035,False
5428,O=C1c2ccccc2CN1CCCN1CCN(c2ccc3sccc3c2)C1=O,[*]N1CCN([*])C1=O,0.5574892,False
5429,C#CCN1CCN(CCN2CCN(c3cccc(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7984186,False
5430,CC1CCCCN1CCN1CCN(c2ccc(F)c(F)c2)C1=O,[*]N1CCN([*])C1=O,0.5258289,False
5431,CC1CCN(CCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CCN1,[*]N1CCN([*])C1=O,0.75530815,False
5432,CC1OC2CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.7180062,False
5433,CCCCN(C(C)=O)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43472394,False
5434,CCCCN(CC)C1COc2c(cccc2C(O)c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5390373,False
5435,CCCCN(OC)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39613163,False
5436,CCCN(CC(C)C)C1COc2c(Cc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5878202,False
5437,CCCc1ccc(OC)c(OBr)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27309218,False
5438,CCCc1cccc2c1OCC(N(CO)CC1C(=O)CC3(CCCC3)CC1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.34196848,False
5439,CCc1cccc2c1OCC(N(CC(C)C)c1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.49564716,False
5440,COC(=O)N1CCC(CN2CCN(c3cccc(Cl)c3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.1629382,False
5441,COCCN1CCN(C2COCCN2)C1=O,[*]N1CCN([*])C1=O,0.3025368,False
5442,COc1c(C(=O)NCCN2CCN(c3sccc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7180342,False
5443,Cc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31569496,False
5444,O=C(NCC=CCN1CCN(c2ccc(-c3cnccc3O)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48612002,False
5445,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccc(Cl)cc2)n[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7033397,False
5446,O=C1N(C#Cc2cccc(Cl)c2)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.8334755,False
5447,O=C1N(CC(=O)N2CCc3ccccc32)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.14424211,False
5448,O=C1N(CC2CNCC3Cc4ccccc4CCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.55241346,False
5449,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.79446876,False
5450,O=C1N(CCN2CCC(c3ccccc3)CC2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.7199398,False
5451,O=C1N(CCN2CCC3CCc4ccccc4CC2CC3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.60755235,False
5452,O=C1N(CCOC2CCCCC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.43462074,False
5453,O=C1N(CCOc2cccc(Cl)c2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.60528064,False
5454,O=C1N(CN2CCC3(CCCc4ccccc4C3)C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.618296,False
5455,O=C1N(Cc2csc3ccccc23)CCN1c1ccc2c(c1)CCCCC2,[*]N1CCN([*])C1=O,0.43571615,False
5456,CC1(C)C2CCC1(CN1CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC1)CC2,[*]N1CCN([*])C1=O,0.8191171,False
5457,CCCN(CO)C1COc2c(CCCN3C(=O)CC4(CCC(=O)C4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.59426904,False
5458,CCCN1CCCC1CNC(=O)c1c(Cl)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.4920286,False
5459,CCCc1cccc2c1OCC(N(CC)Cc1ccc3[nH]ccc3c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5673161,False
5460,CCCc1cccc2c1OCC(N(CCC)S(=O)(O)=Cc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.46159798,False
5461,CCN1CCCC1CNC(=O)c1c(O)ccc(Cl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8797218,False
5462,CCc1cccc2c1OCC(N(CO)Cc1ccc(C)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.34844053,False
5463,CCc1cccc2c1OCC(N(O)CCCc1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.42729732,False
5464,CN(C)C([O-])c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7314807,False
5465,COc1ccc(C(=O)NCC=CCN2CCN(c3cc(Cl)ccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47420296,False
5466,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccn3)s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8589208,False
5467,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(-c3cccc(O)n3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9102637,False
5468,Cc1ccccc1N1CCN(CC=CCNC(=O)c2cccs2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5980632,False
5469,Cc1nc(N2CCN(c3cccc(Cl)c3)C2=O)c(CN(C)C)s1,[*]N1CCN([*])C1=O,0.28943858,False
5470,N#Cc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.9226405,True
5471,Nc1ccccc1C(=O)NCC=CCN1CCN(c2c[nH]c(O)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4209845,False
5472,Nc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5333683,False
5473,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(O)n3)c(Cl)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.454994,False
5474,O=C(NCC=CCN1CCN(c2ccc3ccc(F)cc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5185391,False
5475,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccc(F)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8404434,False
5476,O=C(NCC=CCN1CCN(c2ccccc2[N+](=O)O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8067732,False
5477,O=C(NCCN1CCN(CO[O-])CC1)c1cc(Br)c2ccccc2c1-c1ccc(Cl)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33374187,False
5478,O=C1N(CC2COCO2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.2993464,False
5479,O=C1N(CCN2CCC3CCC2Cc2ccccc2C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.56094843,False
5480,O=C1N(CCN2CCCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.88283306,False
5481,O=C1N(CCN2COCCC2Cc2ccccc2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.44380403,False
5482,O=C1N(Cc2cc3ccccc3s2)CCN1c1ccc2c(c1)-c1ccccc1C2,[*]N1CCN([*])C1=O,0.45325395,False
5483,O=C1N(c2cccc(Cl)c2)CCN1C1COCCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.37733912,False
5484,O=C1N(c2ccccc2)CCN1c1ccccc1OCC1CCCCN1,[*]N1CCN([*])C1=O,0.2977704,False
5485,CC(C#N)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.9035315,False
5486,CC(C)N1CCN(CCN2CCC(OC(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.58448297,False
5487,CC(C)N1CCN(CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.548341,False
5488,CC(C)Oc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9273328,False
5489,CC(C)c1cccc(N2CCN(CC34CCCC(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.4092049,False
5490,CC1(C)C2CCC1(CNCCN1CCN(c3cccc(OC(F)(F)F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.56976724,False
5491,CCCc1cccc2c1OCC(N(CC)CC(=O)c1cc[nH]c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.38210624,False
5492,CCOc1c(S(C)(=O)=O)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22507972,False
5493,CCc1ccc(Cl)c(C(=O)NCC2CCCN2SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.30164796,False
5494,COc1c(O)ccnc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9069622,False
5495,COc1ccc(-c2ccoc2C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8718214,False
5496,COc1ccc(C(=O)NCC=CCN2CCN(c3c[nH]c4ccccc34)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5114023,False
5497,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9368291,False
5498,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2-c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69630957,False
5499,COc1ccccc1C(=O)NCC=CCN1CCN(c2cncc(-c3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39027983,False
5500,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C(C)(C)O)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9369785,False
5501,Cc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4F)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4061101,False
5502,Cc1cccc(CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.46384555,False
5503,O=C(NCC=CCN1CCN(c2ccc(-c3ncco3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48133403,False
5504,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2ccc(Br)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92484045,False
5505,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc2c(c1)OCO2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7201347,False
5506,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9256585,False
5507,O=C(c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1)c1cccc([N+](=O)[O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35419944,False
5508,O=C1N(CC2CCCCNC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.40927508,False
5509,O=C1N(CC2NCCCc3sccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5266244,False
5510,O=C1N(CCOc2cccc(Cl)c2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.44969273,False
5511,O=C1N(c2cccc(Cl)c2)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.40153903,False
5512,O=C1N(c2ccccc2OC(F)(F)F)CCN1C(NCC(F)(F)F)c1ccccc1,[*]N1CCN([*])C1=O,0.21545619,False
5513,CC(C)c1cccc(N2CCN(C(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.16599095,False
5514,CC1(C)CC2CCC1(CNCCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.67945033,False
5515,CCCCCN(c1ccsc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.55225086,False
5516,CCN(C)CCN1CCN(c2ccc(C)cc2)C1=O,[*]N1CCN([*])C1=O,0.4887834,False
5517,CCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1S(C)(=O)=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.105321474,False
5518,CCSN1CCCC1CNC(=O)c1c(OC)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22377855,False
5519,CCc1ccc(OC)c(OSC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2465434,False
5520,CN(Cc1cc2cc(Cl)ccc2s1)CN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.29765856,False
5521,CN1CC(CN2CCN(c3cccc(Cl)c3)C2=O)CCCc2ccccc21,[*]N1CCN([*])C1=O,0.6084366,False
5522,CN1Cc2cccc(N3CCN(Cc4ccc5ccccc5c4)C3=O)c2O1,[*]N1CCN([*])C1=O,0.3793018,False
5523,COCC1CC2(CN3CCN(c4ccccc4)C3=O)CCCC12,[*]N1CCN([*])C1=O,0.41155988,False
5524,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C(=O)Oc2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.40281332,False
5525,Cc1cc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)ccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76977044,False
5526,Cc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3O)CC2)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.6427111,False
5527,Cc1cccc(N2CCN(CCOc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.5444496,False
5528,Nc1csc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3978911,False
5529,O=C(NCC=CCN1CCN(c2[nH]c(O)cc2-c2ccc(F)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32521597,False
5530,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(C(=O)c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84491056,False
5531,O=C1N(CC2CNCc3ccccc32)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.4369818,False
5532,O=C1N(CC2NCCc3ccccc32)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.5999183,False
5533,O=C1N(CCCNC2CCCC3CCCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6150812,False
5534,O=C1N(CCN2CC3CCCC2CC3)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.59696037,False
5535,O=C1N(CCN2c3ccccc3CC23CCCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5994574,False
5536,O=C1N(CCc2ccccc2)CCN1Cc1cccs1,[*]N1CCN([*])C1=O,0.44212887,False
5537,O=C1N(Cc2ccccc2Cl)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.41639638,False
5538,O=C1N(Cc2csc(-c3ccccc3Cl)n2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.2277231,False
5539,O=C1N(c2ccc(F)c(Cl)c2)CCN1C1CCCN(Cc2ccccc2)C1,[*]N1CCN([*])C1=O,0.50599563,False
5540,O=C1N(c2ccc3ccccc3c2)CCN1C1CC[N+]OC1,[*]N1CCN([*])C1=O,0.3768782,False
5541,O=C1N(c2cccc(Cl)c2)CCN1C1CCCCC1c1ccccc1,[*]N1CCN([*])C1=O,0.42337155,False
5542,CC(C)C12CCC(NCCN3CCN(c4cccc(Cl)c4)C3=O)C1CC2,[*]N1CCN([*])C1=O,0.62349266,False
5543,CC(C)Oc1ccccc1N1CCN(CC(C)N2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.32782936,False
5544,CC(CN1CCN(c2cccc(C(F)(F)F)c2)C1=O)N1CCCCCC1,[*]N1CCN([*])C1=O,0.34429607,False
5545,CC1(C)CC2(C)CC(CN3CCN(c4cccc(Cl)c4)C3=O)CC1N2Cc1ccccc1,[*]N1CCN([*])C1=O,0.6108776,False
5546,CC1CCCN(CCN2CCN(CC(F)(F)F)C2=O)CC1,[*]N1CCN([*])C1=O,0.6398069,False
5547,CC1CCc2c(cccc2N2CCN(CC(=O)N3CCc4ccccc43)C2=O)C1,[*]N1CCN([*])C1=O,0.36091688,False
5548,CCCCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18480538,False
5549,CCCN(CC(=O)OC)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.36635578,False
5550,CCCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6741793,False
5551,CCN1CCCC1CNC(=O)c1c(C)ccc(CO)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6327674,False
5552,CN(C)CCN1CCN(c2ccc(F)c(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.5320884,False
5553,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cc([O-])cc(Cl)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3775145,False
5554,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc3c(c2)OCCO3)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.31181082,False
5555,COc1cccc(N2CCN(C3CCc4ncccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.36986867,False
5556,COc1ccccc1C(=O)NCC=CCN1CCN(c2c[nH]c(-c3ccccc3O)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39349374,False
5557,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccccn3)cs2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35364473,False
5558,Nc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46235788,False
5559,O=C(COc1ccccc1Cl)NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33724675,False
5560,O=C(NCC=CCN1CCN(OCCOc2ccc3ccc(O)nc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32138398,False
5561,O=C(NCC=CCN1CCN(c2c[nH]c(O)c2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4532996,False
5562,O=C(NCC=CCN1CCN(c2ccc(CCF)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47169003,False
5563,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(O)cc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.961454,False
5564,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccsc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44482332,False
5565,O=C1N(CC2CN(Cc3ccccc3)Cc3ccccc32)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.6502212,False
5566,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc2c(c1)COCC2,[*]N1CCN([*])C1=O,0.6513129,False
5567,O=C1N(Cc2ccc(Cl)cc2)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.3550661,False
5568,O=C1N(Cc2cccc(Cl)c2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.3459333,False
5569,O=C1N(c2cccc(Cl)c2)CCN1C1CCCCCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.39017597,False
5570,CC1(CCN2CCN(c3ccc(Cl)cc3)C2=O)CCc2ccc(N)cc2C1,[*]N1CCN([*])C1=O,0.4994933,False
5571,CC1CCCN(CCN2CCN(c3ccc(F)c(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.82568985,False
5572,CCCN(C(=O)c1ccoc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.28279862,False
5573,CCCN(CCC)C1COc2c(cccc2OC(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.80979204,False
5574,CCN(C)Cc1cccc(CN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.36836722,False
5575,CCN(CCc1ccc(C(F)(F)F)cc1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6456254,False
5576,CCOCN1CCN(Cc2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.34389699,False
5577,CN(C)Cc1cc2c(s1)C(CN1CCN(c3ccccc3)C1=O)OCC2,[*]N1CCN([*])C1=O,0.3507379,False
5578,COCC1CCCN(CN2CCN(c3ccc(Cl)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.41806033,False
5579,COc1ccc2cccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7374198,False
5580,COc1ccc2ccccc2c1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8853953,False
5581,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(-c3ccc(C)cc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33531567,False
5582,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7466839,False
5583,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3ncccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77956486,False
5584,Cc1cccc(CN2CCN(CC3CCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.49606135,False
5585,N#Cc1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3O)CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.78421897,False
5586,O=C(NCC=CCN1CCN(c2c(Cl)ccc(Cl)c2Cl)CC1)c1ccccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.39218143,False
5587,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(O)c3)cn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.439347,False
5588,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8751583,False
5589,O=C(NN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccncc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.26498726,False
5590,O=C1N(C2CCc3ccsc3CC2)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.36175248,False
5591,O=C1N(CC2C=Cc3ccsc3CC2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.39934024,False
5592,O=C1N(CC2CCC3CCCCCN32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5920913,False
5593,O=C1N(CCN2CC3CCOCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.63449544,False
5594,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.9477551,True
5595,O=C1N(CCN2CCC(CF)CC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.79268324,False
5596,O=C1N(CCN2CCC3CCC2Cc2ccccc2C3)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.6547545,False
5597,O=C1N(CCN2CCCCCC2)CCN1CC(F)(Cl)c1ccccc1,[*]N1CCN([*])C1=O,0.7206631,False
5598,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.77420044,False
5599,O=C1N(CCNc2cccc3sccc23)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4359996,False
5600,CC1(C)CCN(CCN2CCN(c3cccc(Cl)c3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.7535911,False
5601,CC1Cc2ccccc2N1CCN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5692334,False
5602,CCCCN(CC)C1COc2c(cccc2C2CC(=O)C(C)(C)CC2=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.360496,False
5603,CCCN(Cc1occc1OC)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5981511,False
5604,CCc1ccc(CO)c(C(=O)NCC2CCCN2SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2672407,False
5605,CCc1cccc2c1OCC(N(CC)Cc1ccc(C(C)(C)C)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.47862917,False
5606,CN(CN1CCN(c2cccc(C#N)c2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.5890788,False
5607,CN1CC(N2CCN(c3cccc(Cl)c3)C2=O)CC2CCC1CC2,[*]N1CCN([*])C1=O,0.50257456,False
5608,COC(=O)c1cc(OC)c(OC)c(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5461183,False
5609,COc1cc2cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)ccc2cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44335324,False
5610,COc1ccccc1C(=O)NCC=CCN1CCN(NC(=O)c2ccc(-c3cccc(F)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.24080846,False
5611,COc1ccccc1CCN1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38441688,False
5612,COc1ccccc1N1CCN(CC=CCNC(=O)C2CCc3c(cccc3OC)C2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7510091,False
5613,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(F)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9224762,False
5614,Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1C,[*]N1CCN([*])C1=O,0.876598,False
5615,N#Cc1ccc2c(c1)CN(CCN1CCN(c3cccc(C(F)(F)F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.76088464,False
5616,O=C(NCC=CCN1CCN(c2ccc(-c3cccnc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5047929,False
5617,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1)c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54683065,False
5618,O=C(NCC=CCN1CCN(c2ccc(O)o2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36729416,False
5619,O=C(NCC=CCN1CCN(c2cccc(Br)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46230406,False
5620,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48148438,False
5621,O=C(NCC=CCN1CCN(c2ccccc2O)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6874392,False
5622,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc2ccc(O)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9229894,False
5623,O=C(NCC=CCN1CCN(c2nccc(Cl)c2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43945864,False
5624,O=C1N(CC2CCCCCN2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.40559098,False
5625,O=C1N(CCN2CC3CCC(CC(c4ccccc4)C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.85381585,False
5626,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(-c2ccsc2)c1,[*]N1CCN([*])C1=O,0.8949616,False
5627,O=C1N(c2ccncc2)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1,[*]N1CCN([*])C1=O,0.66660625,False
5628,O=Cc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8967249,False
5629,CCCCN(C1CCC(=O)CC1)C1COc2c(cccc2-c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47392777,False
5630,CCCCN(c1cccs1)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5970301,False
5631,CCCCN1CCCC1CNC(=O)c1c(C)ccc(CCC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.34865484,False
5632,CCCCN1CCCC1CNC(=O)c1c(OC)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.52895105,False
5633,CCCN(Cc1occc1C(F)(F)F)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6111161,False
5634,CCCc1cccc2c1OCC(N(CC)Cc1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.642737,False
5635,CCc1ccc(CC)c(C(=O)NCC2CCCN2Cl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24489824,False
5636,CN1CCCCC(CN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.38214833,False
5637,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(CO)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71752244,False
5638,COc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1C(C)C,[*]N1CCN([*])C1=O,0.8556507,False
5639,COc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4ccc(Cl)cc4Cl)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44349766,False
5640,COc1cccc2c(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c[nH]c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56342673,False
5641,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccccc3)ccc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8707373,False
5642,Cc1ccc(O)cc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36031488,False
5643,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1ccc(CCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47060212,False
5644,O=C(NCC=CCN1CCN(c2c[nH]c3ccccc23)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5629328,False
5645,O=C(NCC=CCN1CCN(c2cc3cccc(O)c3[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4605045,False
5646,O=C(NCC=CCN1CCN(c2cc3ccccc3s2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4368591,False
5647,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(O)n3)cc2)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46159777,False
5648,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.58516204,False
5649,O=C(NCC=CCN1CCN(c2ccc(O)c(OCCF)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46642843,False
5650,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(-c2ccccc2)on1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7097987,False
5651,O=C(Nc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1)Oc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4705494,False
5652,O=C1N(CCN2CC3CCCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.5546615,False
5653,O=C1N(CCOCC2CCCc3ccccc32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.6485896,False
5654,O=C1N(CN2CCCC(COC3CCCC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5999701,False
5655,O=C1N(CN2CCN(Cc3csc(C(F)(F)F)c3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.54816395,False
5656,O=C1N(c2ccc3sccc3c2)CCN1C1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.31154007,False
5657,O=C1N(c2ccccc2)CCN1c1cccc(C2CCCCC2)c1,[*]N1CCN([*])C1=O,0.25631255,False
5658,CC(C)Oc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84522265,False
5659,CC1CCN(CN2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5739503,False
5660,CC1NCCc2cc(N3CCN(c4ccc5c(c4)C(O)CCCC5)C3=O)ccc21,[*]N1CCN([*])C1=O,0.3797474,False
5661,CCCCN(C(=O)N(CC)CC)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3964387,False
5662,CCCCN(c1ccc(C(=O)O)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.33140182,False
5663,CCCN(CCC)C1COc2c(cccc2-c2ccc(C(F)(F)F)nc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5693083,False
5664,CCCN(Cc1cccc(C)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.58046645,False
5665,CCCc1cccc2c1OCC(N(CCC)C(=O)c1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3523321,False
5666,CCN1CCN(c2ccc3ccccc3c2)C1=O,[*]N1CCN([*])C1=O,0.36740473,False
5667,CCOc1c(C)ccc(SC)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1626623,False
5668,CN(Cc1cccs1)CN1CCN(c2cc3ccccc3s2)C1=O,[*]N1CCN([*])C1=O,0.37118706,False
5669,COc1ccc(C(C)ON2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.235767,False
5670,COc1ccc2sc(N3CCN(CC=CCNC(=O)c4sccc4Cl)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32243562,False
5671,COc1cccc(-c2c[nH]c(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86051536,False
5672,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.29746237,False
5673,Cc1ccc(Cl)cc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82253915,False
5674,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5102962,False
5675,O=C(NCC=CCN1CCN(c2ccc(-c3ncccc3O)cc2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46046674,False
5676,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(OCCF)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9212981,False
5677,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1Cc1ccccc1-c1ccc(cc1)CC2F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8066421,False
5678,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c[nH]c(-c2cccc(O)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8484351,False
5679,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2nccs2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.922586,False
5680,O=C1N(CC2NCCCC2F)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6128713,False
5681,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccc(Cl)cc1F,[*]N1CCN([*])C1=O,0.775583,False
5682,O=C1N(CCOC(F)(F)F)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.70897746,False
5683,O=C1N(CNCC2CCCCC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.23334116,False
5684,O=C1N(Cc2ccc(Cl)cc2)CCN1C1COc2ccccc2C1,[*]N1CCN([*])C1=O,0.56126374,False
5685,O=C1N(Cc2ccc(Cl)cc2)CCN1CC1CC2CCC(CO)C(C2)C1,[*]N1CCN([*])C1=O,0.29054746,False
5686,C=Cc1cccc2c1OCC(N(CCCC)c1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5279744,False
5687,CC(C)Oc1cccc(N2CCN(c3cccc(-c4ccccn4)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.08460497,False
5688,CCCCN(CC)C1COc2c(CCN3C(=O)c4ccccc4C3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40247852,False
5689,CCCN(c1ccc(C)cc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4937904,False
5690,CCCc1ccc(CC)c(C(=O)NCC2CCCN2C)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21603149,False
5691,CCN1CCN(CC2COCCN2c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.2891122,False
5692,CCOc1c(Cl)ccc(S(C)(=O)=O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20405501,False
5693,CCc1ccc(CCCF)c(OO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25431642,False
5694,CON1CCCC1CNC(=O)c1c(C)ccc(C)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14009151,False
5695,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([N+](=O)[O-])c2[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34935394,False
5696,COc1cc2ccccc2cc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95250136,False
5697,COc1ccc(F)c(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90860194,False
5698,COc1cccc(Oc2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90676934,False
5699,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccc[nH]3)ccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50161546,False
5700,Cc1cccc(N2CCN(CC3CCNCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.5540938,False
5701,O=C(NCC=CCN1CCN(c2cc([N+](=O)[O-])ccc2OCCF)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5465688,False
5702,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(Br)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.907064,False
5703,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(O)c(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93443173,False
5704,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)n1c(=O)c2ccccc2c2ccccc21,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83078605,False
5705,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(-c2ccc(Cl)cc2)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8836712,False
5706,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(O)cc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.888175,False
5707,O=C(NCc1ccc(O)cc1)c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3711842,False
5708,O=C1N(CC2CCCNC2)CCN1c1ccc(CF)cc1,[*]N1CCN([*])C1=O,0.40792552,False
5709,O=C1N(CCC2Cc3ccccc3C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.53119403,False
5710,O=C1N(CCN2CCc3ccsc3C2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.4777001,False
5711,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(O)c1,[*]N1CCN([*])C1=O,0.8262983,False
5712,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cscn1,[*]N1CCN([*])C1=O,0.8081655,False
5713,O=C1N(c2cccc([N+](=O)[O-])c2)CCN1C1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.32088438,False
5714,C=Cc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7947085,False
5715,CC(C)N1CCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.8365242,False
5716,CC(C)c1cccc(N2CCN(C(NC3CCCC(C)(C)C3)c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.14339456,False
5717,CC(NCc1cc2ccccc2s1)N1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.28785607,False
5718,CC12Cc3ccccc3CCC(C1)C(CN1CCN(c3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.44177452,False
5719,CCCCOc1c(Br)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6444925,False
5720,CCCc1cccc2c1OCC(N(C)Cc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.58614475,False
5721,CCCc1cccc2c1OCC(N(CC)Cc1occc1C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.32184133,False
5722,CCON1CCCC1CNC(=O)c1c(C)ccc(CC)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14486809,False
5723,CCOc1cc([N+](=O)[O-])ccc1N1CCN(CC=CCNC(=O)c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4584548,False
5724,CN(CCc1ccccc1)CCN1CCN(c2ccc3sccc3c2)C1=O,[*]N1CCN([*])C1=O,0.55631244,False
5725,CN1CCN(CCN2CCN(c3ccc(F)c(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.77008533,False
5726,COc1ccc(-c2cccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4OC)CC3)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4170022,False
5727,COc1ccc(Br)cc1-c1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)co1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3541493,False
5728,COc1ccc(N2CCN(CC=CCNC(=O)c3ccc(-c4ncccc4C)cc3)CC2)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37080145,False
5729,COc1ccc(Oc2ccccc2N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9118808,False
5730,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc3c2-c2c(C)cccc2CC3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5949716,False
5731,Cc1cc(CN(C)CN2CCN(c3ccc(Cl)cc3)C2=O)on1,[*]N1CCN([*])C1=O,0.2526564,False
5732,O=C(NCC=CCN1CCN(C(=O)c2cccc(F)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.19430633,False
5733,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53171223,False
5734,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc([N+](=O)[O-])ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.866405,False
5735,O=C(NCCN1CCN(c2cccc(Cl)c2)C1=O)c1cccc(C#Cc2ccccc2)c1,[*]N1CCN([*])C1=O,0.507761,False
5736,O=C1N(CC2CCCc3ncccc32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.3937178,False
5737,O=C1N(CCCN2CCCc3sccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7631358,False
5738,O=C1N(Cc2cc3ccccc3s2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.38062137,False
5739,O=C1N(Cc2ccccc2OC2CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5944284,False
5740,O=C1N(Cc2ccsc2)CCN1CC1CCCCN1,[*]N1CCN([*])C1=O,0.40842932,False
5741,CC(C)N(C)CC1CCc2ccc(N3CCN(c4ccccc4)C3=O)cc21,[*]N1CCN([*])C1=O,0.4023582,False
5742,CC1Cc2ccccc2N1C(=O)CN1CCN(c2cc(Cl)ccc2F)C1=O,[*]N1CCN([*])C1=O,0.35233533,False
5743,CCCCN(CC)C1COc2c(cccc2C2(C(=O)O)CCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.34829155,False
5744,CCCN(C(C)C)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53911716,False
5745,CCCN(CC(F)(F)c1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6285231,False
5746,CCCc1cccc2c1OCC(N(C#Cc1ccccc1)CC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5522295,False
5747,CCN1CCCC1CNC(=O)c1c(C)ccc(S)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7206328,False
5748,CCc1ccc(C)c(OCCCl)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20585065,False
5749,CCc1ccc2c(c1)CCN2C(=O)CN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.27155128,False
5750,CCc1cccc2c1OCC(N(CC)CC(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.34132048,False
5751,CN(C)Cc1cccc(N2CCN(c3ccc(F)c(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.28893954,False
5752,CN(C)c1ccc(N2CCN(CC=CCNC(=O)c3ccc(OCCF)cc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35853973,False
5753,CN(CCN1CCN(c2cc(Cl)ccc2F)C1=O)CC12CCCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.5622371,False
5754,CN1CC2CCC(Cc3ccccc31)CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.61328244,False
5755,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(-c4ccccc4)cc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37519923,False
5756,COc1cccc(N2CCN(CC=CCNC(=O)c3ccccn3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42484215,False
5757,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(N)ccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49029943,False
5758,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9756924,False
5759,C[N+]c1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2N)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7798042,False
5760,Cc1ccc(Oc2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8332711,False
5761,N#CC(F)c1cccc(N2CCN(CCN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8870376,False
5762,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(F)cn3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47141394,False
5763,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67080843,False
5764,O=C1N(CCN2CCCCCC2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.679188,False
5765,O=C1N(CCn2ccnc2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.5290379,False
5766,O=C1N(c2ccc3ccsc3c2)CCN1C1CCCCCN1,[*]N1CCN([*])C1=O,0.14937495,False
5767,O=C1N(c2cccc(C(F)(F)F)c2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.21998923,False
5768,O=C1N(c2ccccc2)CCN1C1CCCCC1c1cccs1,[*]N1CCN([*])C1=O,0.28186455,False
5769,CC(O)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.81776977,False
5770,CC1(C)Cc2ccccc2N1CCN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.43278003,False
5771,CCCCN(c1ccoc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52570355,False
5772,CCCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.70828396,False
5773,CCOc1c(SC)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19749156,False
5774,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(F)nc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41937703,False
5775,CCc1ccc(C)c(OSC)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.13310303,False
5776,CNCc1sccc1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.42261752,False
5777,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(C)c2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3591418,False
5778,COc1cccc(CNCCN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.39705637,False
5779,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccsc3)co2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34411058,False
5780,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c(-c3ccccc3O)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8061951,False
5781,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3cc(OCCF)ccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97688127,True
5782,C[N+]c1ccc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3989009,False
5783,O=C(C=CCNC(=O)c1cccs1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79133534,False
5784,O=C(NCC=CCN1CCN(c2c[nH]c(-c3ccc(F)cc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47979876,False
5785,O=C(NCC=CCN1CCN(c2cc3ccc(OCCF)cc3[nH]2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41995376,False
5786,O=C(NCC=CCN1CCN(c2ccc(Cl)c(O)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5147355,False
5787,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccccc1CO,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48116922,False
5788,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(OCC=Cc2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80386025,False
5789,O=C(NCC=CCN1CCN(c2cccnc2Cl)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.675812,False
5790,O=C(NCC=CCN1CCN(c2cnccc2F)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60146695,False
5791,O=C1N(CC2CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7149234,False
5792,O=C1N(CCCN2Cc3ccccc3C2)CCN1CNc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5657853,False
5793,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.75755185,False
5794,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2ncccc2c1,[*]N1CCN([*])C1=O,0.8150976,False
5795,O=C1N(Cc2ccc3ccccc3c2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.26781547,False
5796,O=C1N(Cc2cccc3ccccc23)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.39241973,False
5797,O=C1N(c2cccc(Cl)c2)CCN1C1CCC2(CCCCCN(Cc3ccccc3)C2)C1,[*]N1CCN([*])C1=O,0.38816413,False
5798,O=C1N(c2cccc(Cl)c2)CCN1C1CCC2CCNCC(CC2)Cc2ccccc21,[*]N1CCN([*])C1=O,0.47230893,False
5799,C=CCN(CC)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6319521,False
5800,CC(C)NCc1ccc(Cl)cc1N1CCN(C2COc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.23721676,False
5801,CC(C)Oc1ccccc1N1CCN(c2csc3ccccc23)C1=O,[*]N1CCN([*])C1=O,0.18179977,False
5802,CC1(C)C2CCCC1(CN1CCN(c3cccc(Cl)c3)C1=O)CCC2,[*]N1CCN([*])C1=O,0.57440513,False
5803,CC12CCC(CC1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.81544286,False
5804,CCCN(CC1CCCC2(CCCC2)C1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6198701,False
5805,CCCN(Cc1cc(C)c[nH]1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.59161514,False
5806,CCCN(c1ccc(C(F)(F)F)cc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5602774,False
5807,CCCc1cccc2c1OCC(N(CCC)S(=O)(=O)C(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.60433096,False
5808,CCN1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7071139,False
5809,CN1CCCC(c2cccc(N3CCN(c4cccc(Cl)c4)C3=O)c2)C1,[*]N1CCN([*])C1=O,0.56634736,False
5810,CNC(CN1CCN(c2cccc(Cl)c2)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4356046,False
5811,COCC1CCN(CN2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.6048753,False
5812,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c2cccc-2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91141874,False
5813,COc1ccc2c(c1)CC=C(C(=O)NCC=CCN1CCN(c3ccccc3OCCF)CC1)N2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8213277,False
5814,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(N)c3)CC2)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3669334,False
5815,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3ccccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42599037,False
5816,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C[N+](=O)[O-])cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84832937,False
5817,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Cl)cc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89974225,False
5818,Cc1ccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.77199614,False
5819,O=C(Cc1cccc(OCCF)c1)NCC=CCN1CCN(c2cccc(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35962763,False
5820,O=C(NCC=CCN1CCN(NC(=O)C2c3ccccc3-c3ccccc32)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33364344,False
5821,O=C(NCC=CCN1CCN(c2cc(-c3ccc(Cl)cc3)co2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41855067,False
5822,O=C(NCC=CCN1CCN(c2ccc(-c3ccncc3)cc2)CC1)c1c(Cl)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5040324,False
5823,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c(F)ccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8374955,False
5824,O=C1N(CC2NCCc3ccccc32)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.46372047,False
5825,O=C1N(CCCN2CCc3sccc3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5582713,False
5826,O=C1N(CCN2CCCC(c3cccc(Cl)c3)C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.7783899,False
5827,O=C1N(Cc2cc(Cc3ccccc3)no2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.30257756,False
5828,O=C1N(Cc2cccc(Cl)c2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.34397003,False
5829,O=C1N(c2cccc(Cl)c2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.39704114,False
5830,CC(C)NCCN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.49627098,False
5831,CC(C)c1cccc(CN2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.67412376,False
5832,CCC1CCCN(CN2CCN(c3cccc(OC)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5228182,False
5833,CCCN(CO)C1COc2c(cccc2CC(C)N2C(=O)CC3(CCCC3)CC2=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.38510725,False
5834,CCCc1ccc(CC)c(C(=O)NCC2CCCN2C)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24564499,False
5835,CCN(Cc1cc2ccccc2s1)CN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.34875923,False
5836,CCc1ccc(O)c(OBr)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.72155696,False
5837,CN(C)Cc1cc(N2CCN(c3ccccc3)C2=O)cs1,[*]N1CCN([*])C1=O,0.31416902,False
5838,COCC1CCCN1CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.45095104,False
5839,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2CN(C)S(=O)(=O)c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35786456,False
5840,COc1c(C(=O)NCCN2CCN(c3ccccc3N3CCOCC3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.64367634,False
5841,COc1ccc(OC)c(C(=O)NCC=CCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36169645,False
5842,COc1cccc(N2CCN(CC(C)(F)N3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.4166689,False
5843,COc1cccc(N2CCN(CC=CCNC(=O)c3ccc(Cl)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4460436,False
5844,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3[nH]ccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3845261,False
5845,COc1ccccc1N1CCN(CC=CCNC(=O)c2ncccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8566185,False
5846,Cc1cccc(CN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)n1,[*]N1CCN([*])C1=O,0.6937431,False
5847,N#Cc1cccc(N2CCN(c3cccc(OCC(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.32296544,False
5848,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9888229,True
5849,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc([N+](=O)[O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92852634,True
5850,O=C(NCC=CCN1CCN(c2ccccc2C(F)(F)F)CC1)c1ccc(-c2cccc(O)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84581935,False
5851,O=C(NN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.24508815,False
5852,O=C1N(CC2CCCOC2)CCN1C1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.30792153,False
5853,O=C1N(CCN2CC3CCCC2Cc2ccccc2C3)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.51861656,False
5854,O=C1N(CCN2CCC(c3ccccc3)CC2)CCN1Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.7357908,False
5855,O=C1N(CNCC2Cc3ccccc3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.31415677,False
5856,O=C1N(c2ccc(Cl)cc2)CCN1C1CCCCCN1,[*]N1CCN([*])C1=O,0.1991811,False
5857,O=C1N(c2cccnc2)CCN1c1ccc2c(c1)C(O)CCCCC2,[*]N1CCN([*])C1=O,0.26474428,False
5858,C#Cc1ccc(-c2cccc3c2OCC(N(CC)CCCC)C3)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.5188056,False
5859,C#Cc1ccc2c(c1)CCN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.7528224,False
5860,CC(C)(C)c1ccc(N2CCN(c3cccc(Cl)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.3398032,False
5861,CC(C)NC1CCN(CCN2CCN(c3ccc(F)c(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5972441,False
5862,CCCc1cccc2c1OCC(N(CCC)n1ccc(C(=O)O)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.41286972,False
5863,COc1c(C(=O)NCCN2CCN(c3ccc(CO[O-])cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8577157,False
5864,COc1cc2cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)ccc2cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40350163,False
5865,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9306613,False
5866,COc1ccc(-c2ccoc2C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.813985,False
5867,COc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c([N+](=O)[O-])c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.80296063,False
5868,COc1cccc2c(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66946745,False
5869,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(F)nc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93615586,False
5870,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(O)c(Cl)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84457207,False
5871,O=C(CN1CCN(c2cccc(Cl)c2Cl)C1=O)NCC1CCCCc2ccccc21,[*]N1CCN([*])C1=O,0.1870881,False
5872,O=C(NCC=CCN1CCN(c2[nH]ccc2-c2ccccc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41252765,False
5873,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(Cl)cc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.524193,False
5874,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C(=O)c1ccc([N+](=O)[O-])cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8101479,False
5875,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1CC2O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89683914,False
5876,O=C(NCC=CCN1CCN(c2cccc(O)c2Cl)CC1)c1cccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8396523,False
5877,O=C1N(CC2CCCCN2Cc2ccccc2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.23393002,False
5878,O=C1N(CCN2CC3CCCc4ccccc4CC2C3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5552474,False
5879,O=C1N(CCN2CC3CCNCC3C2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.4836641,False
5880,O=C1N(CCN2CCC(Cc3ccccc3)Cc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5485912,False
5881,O=C1N(CCN2CCCC(C(F)(F)F)C2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.73612887,False
5882,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.73846114,False
5883,O=C1N(CCN2c3ccccc3CC3CCC2CC3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.56915313,False
5884,O=C1N(CCc2cccc(Cl)c2)CCN1Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.394641,False
5885,CC(CN1CCN(c2cccc(Cl)c2)C1=O)N1CC2CCCC(CC2)C1,[*]N1CCN([*])C1=O,0.53603387,False
5886,CC1(CN2CCN(c3ccccc3)C2=O)CCCCC1,[*]N1CCN([*])C1=O,0.29301596,False
5887,CC1CCN(CCN2CCN(c3ccccc3)C2=O)C2CC(C)(C)CC12,[*]N1CCN([*])C1=O,0.5677857,False
5888,CCCN(CC(C)=O)C1COc2c(CCCN3C(=O)CC4(CCCC4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4763174,False
5889,CCN(C)CCc1cccc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.4987262,False
5890,CN(CN1CCN(c2cccc(Cl)c2F)C1=O)CC12CCCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.42640275,False
5891,CN1CCN(CCN2CCN(Cc3ccc(Cl)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.58135736,False
5892,COCC1C2CCCC1CN(CCN1CCN(c3ccc(Cl)cc3)C1=O)C2,[*]N1CCN([*])C1=O,0.651723,False
5893,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(Cl)c2[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34635523,False
5894,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2S(=O)(=O)[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37287587,False
5895,COOc1c(C)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18248568,False
5896,COc1ccc(-c2cccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9116881,False
5897,COc1ccc(Cl)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7096839,False
5898,COc1ccc2cc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)oc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37227827,False
5899,COc1cccc(N2CCN(CCOCC3CCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.6962931,False
5900,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(-c3ccccc3C)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35075796,False
5901,COc1ccccc1CCC(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7142838,False
5902,Cc1ccc(N2CCN(Cc3ccccn3)C2=O)s1,[*]N1CCN([*])C1=O,0.30572206,False
5903,O=C(Cc1ccc(OCCF)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7532744,False
5904,O=C(F)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92178744,False
5905,O=C(NCC=CCN1CCN(c2ccc(-c3nccs3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4979921,False
5906,O=C(NCC=CCN1CCN(c2ccc(-n3cccc3O)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49321482,False
5907,O=C(NCC=CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1Oc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39944425,False
5908,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1cc2cc(O)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5089808,False
5909,O=C1N(CC2CCCOC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.30473498,False
5910,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.5393746,False
5911,O=C1N(CCN2Cc3ccccc3C2)CCN1CC1CCOOC1,[*]N1CCN([*])C1=O,0.70528257,False
5912,O=C1N(Cc2cccc(Cl)c2)CCN1CN1CC2CCC1CCCc1ccccc1C2,[*]N1CCN([*])C1=O,0.4270119,False
5913,O=C1N(c2ccc(Cl)c(Cl)c2)CCN1C1CCc2ccsc2CC1,[*]N1CCN([*])C1=O,0.37501466,False
5914,O=C1N(c2cccc(Cl)c2)CCN1C1CCCN(Cc2ccccc2)CC1,[*]N1CCN([*])C1=O,0.63307446,False
5915,C=CCN1CCCC1CNC(=O)c1c(OC)ccc(CCCCC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5949771,False
5916,CC(C)N1CCN(CCN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.84825593,False
5917,CC1CCC(CN2CCN(c3cccc(Cl)c3)C2=O)NC1,[*]N1CCN([*])C1=O,0.6197322,False
5918,CCCCN(CCC)C1COc2c(cccc2-c2ccc(C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6050034,False
5919,CCCCN(c1cccc(Cl)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.44779652,False
5920,CCCN(CC(F)(F)c1ccc(C(F)(F)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.64224905,False
5921,CCCc1cccc2c1OCC(N(CCC)n1cc(C(F)(F)F)cc1C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4014567,False
5922,CCOC1CCc2ccc(CCN3CCN(c4ccccc4Cl)C3=O)nc2C1,[*]N1CCN([*])C1=O,0.3425985,False
5923,COc1c(C(=O)NCCN2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.89421916,False
5924,COc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8482096,False
5925,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40931463,False
5926,COc1cccc(N2CCN(C3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.22177467,False
5927,COc1cccc2[nH]cc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6227155,False
5928,COc1ccccc1CN1CCN(CC=CCNC(=O)c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30765852,False
5929,COc1ccnc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42494634,False
5930,Cc1ccc(N2CCN(CC3CCCCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.2870321,False
5931,Cc1ccc(N2CCN(CCN(C)CC34CCC(CC3)CC4)C2=O)cc1,[*]N1CCN([*])C1=O,0.5365123,False
5932,Cc1ccc(NCCN2CCN(c3cccc(Cl)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.37530395,False
5933,O=C(NCC=CCN1CCN(c2ccccc2SCCF)CC1)c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6770228,False
5934,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.8086237,False
5935,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccc2c(c1)CCCC2,[*]N1CCN([*])C1=O,0.82364017,False
5936,O=C1N(CCN2CCCCCC2)CCN1c1cccc(C(O)(F)F)c1,[*]N1CCN([*])C1=O,0.76071614,False
5937,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.6270961,False
5938,O=C1N(Cc2cc(F)cc(Cl)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.46677947,False
5939,O=C1N(Cc2cccc(Cl)c2)CCN1CC1COCO1,[*]N1CCN([*])C1=O,0.31200746,False
5940,O=C1N(Cc2ccccc2Cl)CCN1C1CCOC1,[*]N1CCN([*])C1=O,0.34746233,False
5941,O=C1N(c2cccc(Cl)c2)CCN1C1CNCCC1CF,[*]N1CCN([*])C1=O,0.5123109,False
5942,O=C1N(c2cccs2)CCN1C1CCNC(C(F)(F)F)CC1,[*]N1CCN([*])C1=O,0.24009705,False
5943,O=C1N(c2csc3ccccc23)CCN1C1CCc2ccsc2CC1,[*]N1CCN([*])C1=O,0.34168282,False
5944,CC(C)Oc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccnc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88387185,False
5945,CC1(C)C2CCCC1(CN1CCN(Cc3ccc(F)cc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.33702025,False
5946,CCCCN(O)C1COc2c(cccc2S(=O)(=O)C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43580756,False
5947,CCCN(CCC)C1COc2c(cccc2-c2cc(OC)ccc2O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71309257,False
5948,CCCN(CO)C1COc2c(CCCN3C(=O)CCC4(CCCC4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5489336,False
5949,CCCc1cccc2c1OCC(N(CCC)C(=O)c1cc(C(F)(F)F)co1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.44628814,False
5950,CCCc1cccc2c1OCC(N(Cl)CCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6562681,False
5951,CCOc1c(C)ccc(Cl)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1755649,False
5952,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(O[S+](C)[O-])cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38333213,False
5953,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(N)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3653356,False
5954,COc1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c1C,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8180243,False
5955,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc[nH]c2-c2ccc(Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54787403,False
5956,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(F)c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89621395,False
5957,Cc1ccc(N2CCN(CC(=O)N3CCc4c(C)cccc43)C2=O)cc1,[*]N1CCN([*])C1=O,0.08901466,False
5958,Cc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3426658,False
5959,Cc1cccc(N2CCN(CCN(C)CC34CCC(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.81553394,False
5960,O=C(NCC=CCN1CCN(c2ccc(-c3cccs3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46248746,False
5961,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)-c1ccccc1Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96292895,False
5962,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1c[nH]c2ccc(O)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44955653,False
5963,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(Cl)c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9245232,False
5964,O=C1N(CCN2CCCC3CCCCC32)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.5050807,False
5965,O=C1N(CCN2CCCCC2)CCN1c1ccc(OC(F)(F)F)cc1,[*]N1CCN([*])C1=O,0.75148106,False
5966,O=C1N(CCN2CCCCC2CF)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7380716,False
5967,O=C1N(CCN2CCN(c3cccc(Cl)c3)C2=O)CCN1Cc1csc2ccccc12,[*]N1CCN([*])C1=O,0.6430556,False
5968,O=C1N(CCNCC2CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.553362,False
5969,O=C1N(CCNCc2cccc(Cl)c2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.25399554,False
5970,O=C1N(CCOC2CCCCC2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.48601022,False
5971,O=C1N(c2cccnc2)CCN1C1CCNOC1,[*]N1CCN([*])C1=O,0.31761253,False
5972,C=[SH](C)(O)c1ccc(OC)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9387075,False
5973,CC1(C)CC2CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C(C1)C2(C)C,[*]N1CCN([*])C1=O,0.73783016,False
5974,CCCOc1c(Br)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25394887,False
5975,CCN1CCCC1CNC(=O)c1c(C)ccc(C)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6509562,False
5976,CCN1CCCC1CNC(=O)c1c(C)ccc(O)c1O[SH](C)(=O)OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7475879,False
5977,CCOc1c(F)ccc(S)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23040706,False
5978,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OCCF)c(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43305582,False
5979,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1cc2ccccc2o1,[*]N1CCN([*])C1=O,0.692888,False
5980,CN(CN1CCN(c2cccc(Cl)c2F)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.4499112,False
5981,CN1CCCCC1N1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.37838003,False
5982,CNCC12CCC(CC1)C(CCCN1CCN(c3cccc(Cl)c3)C1=O)C2(C)C,[*]N1CCN([*])C1=O,0.63880664,False
5983,COc1ccc(-c2cccc(N3CCN(CC=CCNC(=O)c4ccccc4Cl)CC3)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4260898,False
5984,COc1ccc2[nH]c(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3784896,False
5985,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(F)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38989398,False
5986,COc1cccc(N2CCN(CC3CCCCc4occc43)C2=O)c1,[*]N1CCN([*])C1=O,0.5027272,False
5987,COc1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3-c3ccccc3)CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7109054,False
5988,COc1cccc(OC)c1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9653915,False
5989,COc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7024278,False
5990,COc1ccccc1-c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40932828,False
5991,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(F)ccc2C=O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6183827,False
5992,Cc1ccc(F)nc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90442556,False
5993,Cc1ccc(N2CCN(c3cccc(Cl)c3)C2=O)cn1,[*]N1CCN([*])C1=O,0.26168042,False
5994,N#Cc1ccc(N2CCN(CCN3CCCC(C(F)(F)F)CC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.87763673,False
5995,O=C(NCC=CCN1CCN(c2c(Cl)ccc(Cl)c2Cl)CC1)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37468186,False
5996,O=C(NCC=CCN1CCN(c2cc(Br)ccc2OCCF)CC1)c1ccccc1C(F)(F)F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5126948,False
5997,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4556065,False
5998,O=C(NCC=CCN1CCN(c2ccc(OCCO)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49383885,False
5999,O=C(NCC=CCN1CCN(c2cccc3c2Cc2ccccc2-3)CC1)c1cccc(Cl)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7316774,False
6000,O=C1N(CC2CCCOC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.50210327,False
6001,O=C1N(CCNCc2ccccn2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.2817071,False
6002,CC1(C)CC2CCC(C)(CN2CCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.6411647,False
6003,CC1CNCCC1N1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.25907147,False
6004,CC1Cc2ccccc2N1CCN1CCN(c2ccc(Cl)cc2F)C1=O,[*]N1CCN([*])C1=O,0.49831152,False
6005,CCCCOc1c(OC)ccc(CCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.3185329,False
6006,CCCN(CC1CC1)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71945447,False
6007,CCCN1Cc2ccccc2CC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5509797,False
6008,CCCc1cccc2c1OCC(N(CCC)c1cc(C(=O)O)co1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.44536385,False
6009,CCN(CC(=O)[O-])C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.22824173,False
6010,CCN1CCCC1CNC(=O)c1c(CCOC)ccc(Cl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6858974,False
6011,CCNCCN1CCCC1CNC(=O)c1c(OC)ccc(SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.53274834,False
6012,CCOc1c(C(=O)OC)ccc(SC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23920089,False
6013,CCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OCO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6579754,False
6014,CCc1ccc(C)c(C(=O)NCC2CCCN2O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17085628,False
6015,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C(=O)c2cccc([N+](=O)[O-])c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.31172782,False
6016,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(Br)cc3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42377546,False
6017,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ncc(C)[nH]3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9001462,False
6018,Cc1ccc([N+](=O)C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76205075,False
6019,Cc1cccc(N2CCN(C3CC4Cc5ccccc5CC(C3)N(C)C4)C2=O)c1,[*]N1CCN([*])C1=O,0.47233915,False
6020,O=C(NCC=CCN1CCN(C(=O)c2ccc(-c3ccsc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.19761956,False
6021,O=C(NCC=CCN1CCN(c2c[nH]c3ccc(OCCF)cc23)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5112507,False
6022,O=C(NCC=CCN1CCN(c2cc3cc(F)ccc3o2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4333934,False
6023,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)cn2)CC1)c1ccccc1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46000743,False
6024,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NC(=O)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8548181,False
6025,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cn2ccccc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87147284,False
6026,O=C(NCC=CCN1CCN(c2ccoc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38683644,False
6027,O=C1N(Cc2cccc3ccccc23)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.45083535,False
6028,O=C1N(Cc2ccccc2)CCN1CC1CCCCN1,[*]N1CCN([*])C1=O,0.46880198,False
6029,O=C1N(c2ccccc2Cl)CCN1C1CCCNC1Cc1ccccc1,[*]N1CCN([*])C1=O,0.33015874,False
6030,C=CCN1CCCC1CNC(=O)c1c(C)ccc(Br)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.46440586,False
6031,CC(c1cccc(Cl)c1)N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.54353523,False
6032,CC1(C)CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.89820814,False
6033,CCCCN(CC)C1COc2c(cccc2CN2C=C(C(F)(F)F)CC(=O)C2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39568192,False
6034,CCCN(CO)C1COc2c(CC3CCC(=O)CC3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47915822,False
6035,CCc1ccc(C)c(C(=O)NCC2CCCN2[N+](C)=O)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.13140203,False
6036,COCC1C2CCC1CN(CCN1CCN(c3cccc(OC)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.77266264,False
6037,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(C)oc(C)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.29765952,False
6038,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccs2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.42549133,False
6039,COc1ccc2c(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7003711,False
6040,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)s2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87220246,False
6041,COc1cccc(N2CCN(CC3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6004097,False
6042,COc1cccc(N2CCN(CCNc3cccc(C(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.34388697,False
6043,COc1ccccc1C(=O)NCC=CCN1CCN(CCCNC(=O)Oc2ccc(F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32631955,False
6044,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Cl)c(Cl)cc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8709265,False
6045,CSN1CCCC1CNC(=O)c1c(C)ccc(C)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1956045,False
6046,Cc1cccc(NCCN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.25990814,False
6047,N#Cc1cccc(N2CCN(C3CC(=O)CC4(CCCC4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.44848675,False
6048,O=C(CN1CCN(c2ccccc2)C1=O)c1ccc2c(c1)Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.26950604,False
6049,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(-n2ccnc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66618747,False
6050,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8977186,False
6051,O=C(NCC=CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1c(Cl)ccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6134109,False
6052,O=C1N(CCN2CCCC(c3ccccc3)CC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.8852512,False
6053,O=C1N(CCN2CCc3ccccc32)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4942594,False
6054,O=C1N(CCNCC23CCCC2CCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5793349,False
6055,O=C1N(c2cc3ccccc3s2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.25797692,False
6056,O=C1N(c2cccc(Cl)c2)CCN1C1Cc2ccccc2CC2CCCCC1C2,[*]N1CCN([*])C1=O,0.5629188,False
6057,C=CCN1CCCC1CNC(=O)c1c(OC)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.59390473,False
6058,CC(C)C1NCCCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.68021214,False
6059,CC1(C)CC2CCC(CN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC2)C1,[*]N1CCN([*])C1=O,0.87087375,False
6060,CC1CCN(C)c2ccc(CN3CCN(c4ccccc4)C3=O)cc2Cc2ccccc21,[*]N1CCN([*])C1=O,0.5172183,False
6061,CCCN(COC)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53025377,False
6062,CCCc1cccc2c1OCC(N(CCC)C(=O)c1cc3ccccc3o1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4304487,False
6063,CCc1ccc(C)c(C(=O)NCC2CCCN2C)c1O[N+](=O)[O-],[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14225297,False
6064,COc1cc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc(N(C)C)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88516027,False
6065,COc1ccc2c(c1)CN(CCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.7547762,False
6066,COc1ccc2cccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94930565,False
6067,COc1cccc2c1CCC(N1CCN(c3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.50069326,False
6068,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(OCCF)cc3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42793357,False
6069,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc[nH]3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3709969,False
6070,COc1cnccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60844964,False
6071,Cc1cccc(-c2ccccc2N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69138324,False
6072,N#Cc1cccc(CN2CCN(c3ccc(F)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.39197397,False
6073,O=C(NCC=CCN1CCN(c2c[nH]c3cccc(O)c23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65649486,False
6074,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(Cl)cc3)[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43639478,False
6075,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NC(=O)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.910655,False
6076,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc(-c2ccc(F)cc2)cs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8072363,False
6077,O=C(NCC=CCN1CCN(c2sccc2-c2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4277899,False
6078,O=C1N(CC2CC3CCC(C2)N3Cc2ccccc2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.5187493,False
6079,O=C1N(CC2CCCC2c2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6145605,False
6080,O=C1N(CC2CCCNC2)CCN1c1ccc(Cl)cc1F,[*]N1CCN([*])C1=O,0.30678448,False
6081,O=C1N(CCN2CC3CCCC2Cc2ccccc2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.640472,False
6082,O=C1N(CCN2CCCCCC2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.6139175,False
6083,O=C1N(CCN2CCCCN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.73075825,False
6084,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.70056474,False
6085,O=C1N(CCc2ccc3c(c2)NCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6343421,False
6086,C=CN(CO)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5115271,False
6087,CC1(C)CC(c2ccccc2)CCN1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5784187,False
6088,CCCN(CO)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56464005,False
6089,CCCc1cccc2c1OCC(N(CC)CC(=O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3880019,False
6090,CCN1CCCC1CNC(=O)c1c(C)ccc(CO)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7349154,False
6091,CCOc1c(O)ccc(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.26550072,False
6092,CCOc1ccc(CC)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8675019,False
6093,CCc1cccc2c1OCC(N(CO)CCc1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.46452406,False
6094,CN(CN1CCN(c2cccc(Cl)c2)C1=O)CC12CCC(CC1)C(C)(C)C2,[*]N1CCN([*])C1=O,0.6142274,False
6095,CN1CCCCCC1CN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.4465355,False
6096,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc([N+](=O)[O-])c(C)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.29597542,False
6097,COc1ccc(N2CCN(c3ccc4c(c3)C(c3ccccc3)CNC4)C2=O)cc1,[*]N1CCN([*])C1=O,0.3628805,False
6098,COc1cccc(N2CCN(CC=CCNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2804227,False
6099,COc1ccccc1C(=O)NCC=CCN1CCN(C(=O)NCc2ccc(O)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.23502186,False
6100,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9756508,True
6101,Cc1ccccc1N1CCN(CC2CCCCC2)C1=O,[*]N1CCN([*])C1=O,0.2941329,False
6102,Cc1ccnc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35669383,False
6103,O=C(CN1CCN(Cc2cccc(C(F)(F)F)c2)C1=O)c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.17483152,False
6104,O=C(NCC=CCN1CCN(c2cc(-c3ccsc3)ccn2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43801996,False
6105,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(-c2cccs2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5290844,False
6106,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1[nH]c2ccccc2c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8940776,False
6107,O=C1N(CC#Cc2ccccn2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.41254827,False
6108,O=C1N(CC2CCCCN2CCc2ccccc2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.44023988,False
6109,O=C1N(CC2CCNC3CCC23)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5668792,False
6110,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc2ccsc12,[*]N1CCN([*])C1=O,0.5811704,False
6111,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.8854616,False
6112,O=C1N(CCOCC2CCNC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7306124,False
6113,O=C1N(CN2CCN3CCC4CCC(Cc5ccccc5C4)C32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.49359834,False
6114,CC(C)c1cccc(N2CCN(CCN(C)Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.61843127,False
6115,CC(CN1CCN(CC(F)(F)F)C1=O)N1CCc2ccccc21,[*]N1CCN([*])C1=O,0.31132883,False
6116,CC1(C)CC2CC(CN3CCN(c4cccc(Cl)c4)C3=O)(C2)C1,[*]N1CCN([*])C1=O,0.5308839,False
6117,CC1(C)CCC(CN2CCN(c3cccc(Cl)c3)C2=O)CN1,[*]N1CCN([*])C1=O,0.6585115,False
6118,CC1(C)CCCCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.71417654,False
6119,CC1Cc2ccccc2N1C(=O)CN1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.3742121,False
6120,CCCN(CC)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5252937,False
6121,CCCSc1ccc(C)c(OCC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.13610086,False
6122,CCCc1cccc2c1OCC(N(CCC)C(=O)c1csc(C)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.22699495,False
6123,CCCc1cccc2c1OCC(N(CCC)c1ccc(F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.67592233,False
6124,CCCc1cccc2c1OCC(N(COC)c1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.55803907,False
6125,CCN1CCCC1CNC(=O)c1c(C)ccc(CCCCF)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6490577,False
6126,CCOc1c(OC)ccc(S)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24858806,False
6127,CN1CCc2ccsc2CC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.65959764,False
6128,COc1cc(OCCF)ccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8324942,False
6129,COc1ccc(Cl)cc1CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.75378233,False
6130,COc1cccc(CN2CCC(CN3CCN(c4ccc(Cl)cc4Cl)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.6335376,False
6131,COc1ccccc1N1CCN(CC=CCNC(=O)NC(=O)c2ccncc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92379004,False
6132,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(O)c(F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8974886,False
6133,Cc1ccc(C)c(C(=O)NCC2CCCN2O)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.10807415,False
6134,O=C(NCC=CCN1CCN(c2c[nH]c3ccccc23)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55815387,False
6135,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1Cc2cccc(-c3ccccc3)c2C(O)C1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.627073,False
6136,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccnn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8566195,False
6137,O=C1CCc2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4OCCF)CC3)cc2N1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48804712,False
6138,O=C1N(CC2CCCCCN2Cc2cccc(F)c2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.26246673,False
6139,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(Cl)cc1CF,[*]N1CCN([*])C1=O,0.89002675,False
6140,O=C1N(CCNc2cccs2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5439616,False
6141,O=C1N(Cc2ccccc2Cl)CCN1C1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.44934076,False
6142,O=C1N(c2ccc(Cl)cc2)CCN1C1CCN2CCC2Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.38108957,False
6143,O=C1N(c2cccc(F)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.34243363,False
6144,CC1(C)CCCC12CCCCN(CCN1CCN(c3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.6628431,False
6145,CC1CCCCN1C(C)CCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.47839603,False
6146,CCCN(CC(=O)C1(C)CCCC1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.44041404,False
6147,CCCN(CC(C)=O)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43888023,False
6148,CCCc1cccc2c1OCC(N(CCC)C(=O)c1csc(-c3ccccc3)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3574169,False
6149,CCCc1cccc2c1OCC(N(Cc1ccsc1)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.31774813,False
6150,CN(CCN1CCN(c2cccc(C(F)(F)F)c2)C1=O)CC1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.6524878,False
6151,CN1CCCCC1CN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6043397,False
6152,COC(c1ccccc1)C1CCCN(CCN2CCN(c3ccc(OC(F)(F)F)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.64352185,False
6153,COCC1Cc2ccccc2C1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.60826737,False
6154,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(C)cc2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35119116,False
6155,COc1c(C(=O)NCCN2CCN(c3ccccc3C(=O)c3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8298363,False
6156,COc1c(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)cccc1[N+](=O)[O-],[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.86212575,False
6157,COc1ccc2c(c1)OC(N1CCN(CC=CCNC(=O)c3ccccc3OCCF)CC1)CC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37254497,False
6158,COc1cccc(CCCN2CCN(C3CCOCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.3621457,False
6159,COc1cccc(N2CCN(CCN3CC4CCc5ccccc5CC3CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.6334425,False
6160,COc1ccccc1C(=O)NCC=CCN1CCN(c2c[nH]c3ncccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5001941,False
6161,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc[nH]n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8546828,False
6162,N#Cc1c(Cl)cccc1N1CCN(CCN2CCCCCC2)C1=O,[*]N1CCN([*])C1=O,0.72995794,False
6163,Nc1cccc(CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.4948352,False
6164,O=C(NCC=CCN1CCN(c2cc(-c3ccccc3)cnc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7078625,False
6165,O=C(NCC=CCN1CCN(c2cc(Cl)ccn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40247416,False
6166,O=C(NCC=CCN1CCN(c2cccc3c2-c2ccccc2CCC3O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7391333,False
6167,O=C(NCC=CCN1CCN(c2cnc3[nH]c(O)cc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42221427,False
6168,O=C1N(CC2CCCNC2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.4277266,False
6169,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.75264424,False
6170,O=C1N(CCN2Cc3ccccc3C2)CCN1C1COc2ccccc2C1,[*]N1CCN([*])C1=O,0.74127376,False
6171,O=C1N(Cc2ccccc2)CCN1C1COCCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.31023377,False
6172,C=Cc1cccc2c1OCC(N(CCC)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6617241,False
6173,CC12CCC(CN(CCN3CCN(c4ccccc4)C3=O)C1)C(C)(C)C2,[*]N1CCN([*])C1=O,0.6690282,False
6174,CCCN(CC)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.75806475,False
6175,CCCN(c1ccc(C(F)(F)F)cc1)C1COc2c(CC(C)C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.61614436,False
6176,CCCc1cccc2c1OCC(N(F)CCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.7309524,False
6177,CN(C)Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9495063,False
6178,CN(C)Cc1sc2ccccc2c1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.3887493,False
6179,CN(CCN1CCN(c2cc(F)cc(Cl)c2)C1=O)CC12CCC(CC(C)(C)C1)C2,[*]N1CCN([*])C1=O,0.51901233,False
6180,COCC1Cc2c1cccc2N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.6838821,False
6181,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(C#Cc3ccccc3)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38664782,False
6182,COc1c(C(=O)NCCN2CCN(c3ccc([N+](=O)[O-])c(C)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8183201,False
6183,COc1cc(Br)ccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83289224,False
6184,COc1cccc2c(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)coc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76283836,False
6185,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4F)CC3)[nH]c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6013058,False
6186,Cc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8877095,False
6187,Cc1ccc(N2CCN(CCN3CCN(C(C)C)CC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.7331054,False
6188,Cc1ccc2c(c1)CN(CCN1CCN(c3cccc(Cl)c3)C1=O)CCC2,[*]N1CCN([*])C1=O,0.76952595,False
6189,Cc1cccc(CN(C)CCN2CCN(c3cccs3)C2=O)c1,[*]N1CCN([*])C1=O,0.43475488,False
6190,Cc1cccc(N2CCN(C3CCCc4sccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.32743174,False
6191,Nc1ccc(C(=O)NCC=CCN2CCN(CCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28251958,False
6192,O=C(NCC=CCN1CCN(c2c[nH]c3ccc(O)cc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.62182343,False
6193,O=C(NCC=CCN1CCN(c2cc(OCCF)ccc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5424443,False
6194,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnccc1Oc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84571195,False
6195,O=C(NCC=CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(Cl)c(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.357527,False
6196,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)C1=CC=CN(c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7071931,False
6197,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(F)c(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91652817,False
6198,O=C1N(CCN2C3CCCCC2Cc2ccccc2C3)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.62351316,False
6199,O=C1N(CN2CCCC3CCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6338403,False
6200,O=C1N(Cc2ccsc2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.322378,False
6201,CC1CC2Cc3ccccc3CC(C1)N(CCN1CCN(c3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.5233216,False
6202,CC1Cc2ccccc2CN1CCN1CCN(c2cccc3c2COCC3)C1=O,[*]N1CCN([*])C1=O,0.47178137,False
6203,CCC1(C)Cc2ccccc2CN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6679645,False
6204,CCCCN(O)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.44511724,False
6205,CCCN(CCC)C1COc2c(cccc2C(=O)c2cnoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5334422,False
6206,CCOc1ccc(Oc2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3480974,False
6207,CN1CCN(CCN2CCCCCC2)C1=O,[*]N1CCN([*])C1=O,0.56334937,False
6208,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2cc3ccccc3o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3999178,False
6209,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4144697,False
6210,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2-c2cccnc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8583882,False
6211,COc1ccccc1Oc1cccnc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8707954,False
6212,Cc1ccc(N2CCN(CCCN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.72021896,False
6213,Cc1cccc(C(C)CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.35715023,False
6214,Cc1sccc1N1CCN(CCN2CC3CCCC2Cc2ccccc2C3)C1=O,[*]N1CCN([*])C1=O,0.4462848,False
6215,O=C(NCC=CCN1CCN(c2c(Cl)ccc(Cl)c2Cl)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43192104,False
6216,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(Cl)cc3)[nH]2)CC1)c1c(Cl)cccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44746578,False
6217,O=C(NCC=CCN1CCN(c2ccc(S(=O)(=O)O)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41527772,False
6218,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1[nH]ccc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8589907,False
6219,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccccc2)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91027725,False
6220,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(F)cc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9749799,False
6221,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cnn[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97415036,False
6222,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1NCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6271072,False
6223,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccc(CCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41858336,False
6224,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(CCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8623258,False
6225,O=C1N(CC2CC3CCC(CN2)Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.583099,False
6226,O=C1N(CC2CCCCc3sccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.60495716,False
6227,O=C1N(CC2CCNCC3CCC32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.41510218,False
6228,O=C1N(CC2NCCCC2c2ccccc2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.46392387,False
6229,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.9485911,True
6230,O=C1N(CCOCC2CCCNC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.4598352,False
6231,O=C1N(CCOCC2CCCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.737143,False
6232,O=C1N(CN2CCC3CCCCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.48037553,False
6233,O=C1N(c2ccc3c(c2)CNCC3)CCN1c1ccc2c(c1)OCC2,[*]N1CCN([*])C1=O,0.31003478,False
6234,C=Cc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83288556,False
6235,CC1(C)CN(CCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC(C)(C)C1,[*]N1CCN([*])C1=O,0.70241374,False
6236,CCCCN(C(C)=O)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4219242,False
6237,CCCCN(C1COc2c(CC)cccc2C1)N1C=C(C(F)(F)F)CC(=O)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.37454548,False
6238,CCCCN(CC)C1COc2c(cccc2-c2ccc(C=O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5354048,False
6239,CCCN(CC(=O)c1cocn1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4510173,False
6240,CCCN1Cc2ccccc2C(CN2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.64274615,False
6241,CCCOC1CCCc2ccc(N3CCN(C4Cc5ccccc5C4)C3=O)cc21,[*]N1CCN([*])C1=O,0.48801547,False
6242,CCCc1cccc2c1OCC(N(CC)Cc1ccc(Cl)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.59929264,False
6243,CCc1ccc(OC)c(C(=O)NCC2CCCN2CO)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5893045,False
6244,COCC1Cc2ccccc2N1CCN1CCN(c2cc(F)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.60780966,False
6245,COc1c(C(=O)NCCN2CCN(c3cccc(N4CCOC4)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.67762387,False
6246,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(OC)c(OC)c3)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37208122,False
6247,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1CF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4230252,False
6248,COc1ccccc1N1CCN(CC=CCNC(=O)Cc2ccc(-c3cccc(O)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79416335,False
6249,Cc1cc(OCCF)cc2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31241736,False
6250,Cc1cc2cc(OCCN3CCN(c4ccc(Cl)cc4Cl)C3=O)ccc2s1,[*]N1CCN([*])C1=O,0.2701999,False
6251,O=C(NCC=CCN1CCN(c2ccc(-c3ccncc3)cc2)CC1)c1cc(F)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4710133,False
6252,O=C(NCC=CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1c(Cl)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37264177,False
6253,O=C(NCC=CCN1CCN(c2cnc(-c3ccccc3)s2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36609083,False
6254,O=C1N(CC2CCCc3ccccc3C2O)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.5044226,False
6255,O=C1N(CC2CNC3CCC2CCc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.400042,False
6256,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.57104313,False
6257,O=C1N(CCN2CCc3ccsc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7874368,False
6258,O=C1N(CCN2Cc3ccccc3C2)CCN1CC(O)c1ccccc1,[*]N1CCN([*])C1=O,0.6788004,False
6259,CC1(C)CCN(CCN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.80808175,False
6260,CC12CCCCCC1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.79395986,False
6261,CCCN(CC(C)=O)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5766866,False
6262,CCCN(CCC)C1COc2c(cccc2S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54070514,False
6263,CCN(C)CCN1CCN(c2cccc(C)n2)C1=O,[*]N1CCN([*])C1=O,0.4372437,False
6264,CN(CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O)Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.642165,False
6265,CN1CCc2cc(N3CCN(c4ccc5sccc5c4)C3=O)ccc2C(c2ccccc2)C1,[*]N1CCN([*])C1=O,0.4880318,False
6266,COc1c(C(=O)NCCN2CCN(c3ccccc3C(C)C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.85931414,False
6267,COc1ccc(F)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4667659,False
6268,COc1cccc(CN2CCN(CCN3CCN(C(C)C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.6747607,False
6269,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)[nH]c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84688216,False
6270,COc1ccccc1-c1ccc(C(=O)NC(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85658723,False
6271,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(Cl)c3F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8679029,False
6272,Nc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3C(F)(F)F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50781006,False
6273,O=C(NCC=CCN1CCN(c2cc3ccc(O)cc3[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43843773,False
6274,O=C(NCC=CCN1CCN(c2ccc(-c3ccsc3)[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42466405,False
6275,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccs2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87151355,False
6276,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(OCc2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9495874,False
6277,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(F)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86107504,False
6278,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6581926,False
6279,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(Cl)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9376811,False
6280,O=C1CCC2CCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C2C1,[*]N1CCN([*])C1=O,0.6565433,False
6281,O=C1N(CC2CCc3ccccc3C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.5559805,False
6282,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.88732433,False
6283,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccccc1C(F)(F)F,[*]N1CCN([*])C1=O,0.7876685,False
6284,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.6684723,False
6285,O=C1N(c2cccc(Cl)c2)CCN1C1CCC2(CCCCCc3ccccc3C2)C1,[*]N1CCN([*])C1=O,0.37776768,False
6286,O=C1N(c2cccc(Cl)c2)CCN1C1CCCN(CCF)C1,[*]N1CCN([*])C1=O,0.6665129,False
6287,O=C1N(c2cccc(Cl)c2Cl)CCN1C1CCCNC1Cc1ccccc1,[*]N1CCN([*])C1=O,0.37756544,False
6288,CC(C)C1c2ccccc2CCN1CCN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5360703,False
6289,CC(C)Oc1cccc(CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.39710313,False
6290,CC(C)c1cccc(N2CCN(C3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.22699407,False
6291,CCCCc1ccc(CO)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24929231,False
6292,CCCN(CCC)C1COc2c(C=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.78323287,False
6293,CCCN(Cc1ccoc1)C1COc2c(cccc2C2CCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.66847515,False
6294,CCCc1ccc(CC)c(C(=O)NCC2CCCN2C)c1OC=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21073869,False
6295,CCCc1cccc2c1OCC(N(CC)COC(=O)c1cocn1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.2616533,False
6296,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Cl)cc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82951105,False
6297,CCc1ccc(C)c(OSO)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15455815,False
6298,CCc1ccc(Cl)c(OBr)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21433993,False
6299,CCc1cccc2c1OCC(N(Cc1ccccc1)CC(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.43487218,False
6300,CN(CCN1CCN(c2cccc(C(F)(F)F)c2)C1=O)CC1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.5931611,False
6301,CN(Cc1cccs1)CN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.40274957,False
6302,COc1cccc(-c2ccc(CC(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70404124,False
6303,COc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1N,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89981467,False
6304,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(O)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85960716,False
6305,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccncn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92248183,False
6306,N[N+](=O)c1cccc(N2CCN(C3CCCNC3)C2=O)c1,[*]N1CCN([*])C1=O,0.20891306,False
6307,O=C(NCC=CCN1CCN(c2cc3cc(O)ccc3cc2F)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5681183,False
6308,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2cccc(O)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90967005,False
6309,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8375439,False
6310,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(Br)ccc1OCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8990382,False
6311,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-n2cccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8813638,False
6312,O=C(NCC=CCN1CCN(c2cccs2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44373584,False
6313,O=C1N(CC2CCCCN2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.72954077,True
6314,O=C1N(CC2COOC2)CCN1c1ccc2c(c1)CCCCC2O,[*]N1CCN([*])C1=O,0.49987313,False
6315,O=C1N(CCN2CC3CCc4ccccc4CC2CC3)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5730245,False
6316,O=C1N(CCc2ccccn2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.63553864,False
6317,O=C1N(CN2c3ccccc3CC3CCC2COC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.46302828,False
6318,CC(C)N1CCN(CCN2CCN(c3ccc(C#N)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.77910995,False
6319,CC1(C)CN(CCN2CCN(c3cccc(Cl)c3)C2=O)Cc2ccccc21,[*]N1CCN([*])C1=O,0.8117872,False
6320,CCCCN(C1COc2c(CC)cccc2C1)n1ccc(-c2ccccc2)c1,[*]CN([*])C1COc2c([*])cccc2C1,0.463883,False
6321,CCCN(CCC1CCCC1)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.60972154,False
6322,CCCc1ccc(Cl)c(OO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27238703,False
6323,CCCc1ccc(S)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.73077947,False
6324,COCC1Cc2ccccc2C1N1CCN(Cc2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.45131564,False
6325,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C2=C[N+]C(C)=CC=CC=C2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3714452,False
6326,COc1cc(Br)cc(C(=O)NCC=CCN2CCN(c3cccc(F)c3)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4475546,False
6327,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(O)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.57181007,False
6328,COc1cc(OCCF)ccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83504504,False
6329,COc1cccc2cc(N3CCN(CC=CCNC(=O)c4ccccc4Cl)CC3)[nH]c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39104953,False
6330,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cc[nH]c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45611587,False
6331,N#Cc1cccc(N2CCN(CNCc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3223358,False
6332,O=C(NCC=CCN1CCN(c2c[nH]c3c(O)cccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6046366,False
6333,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1ccccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.43774867,False
6334,O=C(NCC=CCN1CCN(c2ccc(-c3cccnc3)cc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49727324,False
6335,O=C(NCC=CCN1CCN(c2ccc(F)c(F)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44989818,False
6336,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(F)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9364417,False
6337,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(Br)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9357425,False
6338,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1c(O)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47699004,False
6339,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccc(-c2cccc(O)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42342904,False
6340,O=C(NCC=CCN1CCN(c2cccc3ccc(O)cc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71082157,False
6341,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc(Br)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75116223,False
6342,O=C(NCC=CCN1CCN(c2ccoc2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39253926,False
6343,O=C1N(CCN2CCCC3COc4ccccc4CC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.74525166,False
6344,O=C1N(CCN2CCCCCC2)CCN1c1ccc(Cl)cc1F,[*]N1CCN([*])C1=O,0.6604961,False
6345,O=C1N(Cc2ccc3c(c2)CCN3C(=O)Cc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.20408131,False
6346,O=C1N(Cc2ccccc2)CCN1c1cccc2c1C(O)CCC2,[*]N1CCN([*])C1=O,0.36707345,False
6347,C#CC(C)N1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8640652,False
6348,CC(C)Oc1c(C(=O)NCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7664009,False
6349,CC1(C)CCC(NC(CN2CCN(c3ccccc3Cl)C2=O)c2ccccc2)C1,[*]N1CCN([*])C1=O,0.20233612,False
6350,CC1CCCN(CCN2CCN(c3ccc4sccc4c3)C2=O)C1,[*]N1CCN([*])C1=O,0.5934126,False
6351,CC1CCOCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7317995,False
6352,CCCCN(CC)C1COc2c(cccc2N2C=C(C(F)(F)F)Cc3ccccc32)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.482823,False
6353,CCCN(CCC)C1COc2c(cccc2C(=O)Nc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39394382,False
6354,CCCN(Cc1occc1C(C)=O)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48578626,False
6355,CCCN(Cc1occc1C)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56906796,False
6356,CCCc1cccc2c1OCC(N(Cc1ccccc1)C(=O)OC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3163386,False
6357,CCN1CCCC1CNC(=O)c1c(O)ccc(C)c1OCCNC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.56768984,False
6358,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccc([N+](=O)[O-])c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5713711,False
6359,COc1c[nH]cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93769544,False
6360,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)s2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37128562,False
6361,COc1cccc(C2CCCCN2CCN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.6350254,False
6362,COc1cccc(N2CCN(CCN3CCC(C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8905969,False
6363,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(C)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32936704,False
6364,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OCCF)c(C)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32837638,False
6365,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(N)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8841655,False
6366,CSc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49000844,False
6367,Nc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8733777,False
6368,Nc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8821542,False
6369,O=C(NCC=CCN1CCN(Cc2cccc([N+](=O)[O-])c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2376252,False
6370,O=C(NCC=CCN1CCN(c2cc3cccccc-3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49412233,False
6371,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1cc2cccnc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5131278,False
6372,O=C(NCC=CCN1CCN(c2ccc3c(Cl)cccc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42735788,False
6373,O=C1N(CCN2CCCOC2Cc2ccccc2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.45169103,False
6374,O=C1N(CCN2CCc3ccccc32)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.48776206,False
6375,O=C1N(Cc2cccc(Cl)c2)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.3482514,False
6376,CCCCCN(c1ccc(C(F)(F)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48894307,False
6377,CCCCCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18501022,False
6378,CCCCN(c1ccc(C#N)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5125044,False
6379,CCCN(CCC)C1COc2c(cccc2C2CCCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.75206345,False
6380,CCCc1ccc(CC)c(C(=O)NCC2CCCN2C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24846485,False
6381,CCCc1cccc2c1OCC(N(CC)Cc1cocc1OC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5486987,False
6382,CCN1CCCC1CNC(=O)c1c(OC)ccc(OS)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.958311,False
6383,CN1CCCCC1OCCN1CCN(c2cccc(Cl)c2Cl)C1=O,[*]N1CCN([*])C1=O,0.43353766,False
6384,CNc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c(Cl)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.80996656,False
6385,COCC1C2CCNC1CC(N1CCN(c3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.31618902,False
6386,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2[N+](=O)N(C)C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.42490697,False
6387,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(F)nc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7191277,False
6388,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7302462,False
6389,COc1cc(Cl)ccc1CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7648344,False
6390,COc1ccc(-c2ccoc2N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36399004,False
6391,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc4c3OCCO4)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6144949,False
6392,Cc1ccc(N2CCN(CC=CCNC(=O)c3cc[nH]c3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.25112543,False
6393,Cc1cccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3)CC2)c1OC(C)C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39832118,False
6394,N#Cc1cccc(CN2CCN(c3ccc(Cl)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.40999725,False
6395,O=C(NCC=CCN1CCN(c2[nH]ccc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44934154,False
6396,O=C(NCC=CCN1CCN(c2ccc(-c3cc[nH]n3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49347422,False
6397,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2O)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.58755904,False
6398,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccsc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4903003,False
6399,O=C(NCC=CCN1CCN(c2ccc(N3CCOCC3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34020838,False
6400,O=C(NCC=CCN1CCN(c2cccc([O-])c2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80312264,False
6401,O=C(NCCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cc(Br)c2ccccc2c1CO,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.72504497,False
6402,O=C1N(CCN2CC3CCCC2CC3)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.58035374,False
6403,O=C1N(CN2CCCC(C#Cc3ccccc3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6386428,False
6404,CC(C)OC1CC(CN2CCN(C3COOC3)C2=O)Cc2ccccc21,[*]N1CCN([*])C1=O,0.5153615,False
6405,CC1=CC=CCC2(CN(C)CN3CCN(c4cccc(Cl)c4)C3=O)CC(C1)C2,[*]N1CCN([*])C1=O,0.49139813,False
6406,CCCN(C(C)C)C1COc2c(cccc2-c2cccc(C(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5813715,False
6407,CCc1ccc(C)c(C(=O)NCC2CCCN2CCCS)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.4229971,False
6408,CN(CCN1CCN(c2ccc(F)c(Cl)c2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.7453135,False
6409,COc1ccc2c(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7391076,False
6410,COc1ccc2cc(OCCF)cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56257594,False
6411,COc1cccc2[nH]c(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9361428,False
6412,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(O)[nH]3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40190205,False
6413,COc1ccccc1COC(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92282844,False
6414,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccs3)o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8716561,False
6415,O=C(C=CCNC(=O)c1ccccc1O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81298596,False
6416,O=C(Cc1ccc(F)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77966225,False
6417,O=C(NCC=CCN1CCN(c2[nH]c(O)cc2-c2ccccc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3450434,False
6418,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccc([N+](=O)[O-])cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47730023,False
6419,O=C(NCC=CCN1CCN(c2ccc(OCCF)c([O-])c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4433701,False
6420,O=C(NCC=CCN1CCN(c2cncc(-c3ccccc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44072887,False
6421,O=C(NCCN1CCN(Cc2ccccc2)CC1)c1cc(Br)c2ccccc2c1CO,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4460483,False
6422,O=C(NCCN1CCN([N+](=O)[O-])CC1)c1cc(Br)c2ccccc2c1Cl,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37338373,False
6423,O=C1N(CC2CNCN3CCCCC23)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.39985302,False
6424,O=C1N(CC2COc3ccccc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.6347001,False
6425,O=C1N(CCCN2Cc3ccccc3C2)CCN1Cc1ccc(F)cc1,[*]N1CCN([*])C1=O,0.7177198,False
6426,O=C1N(CCN2CCCC3CCCCC32)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.4273539,False
6427,O=C1N(CCN2CCCCCC2)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.7251283,False
6428,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cscc1-c1ccccn1,[*]N1CCN([*])C1=O,0.83831364,True
6429,O=C1N(CCN2Cc3ccccc3C2CF)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8167903,False
6430,O=C1N(CN2CCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.63856333,False
6431,CC1CN(CCN2CCN(Cc3cccc(Cl)c3)C2=O)CCN1,[*]N1CCN([*])C1=O,0.616677,False
6432,CCCCN(OCc1ccc(F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4693416,False
6433,CCCN(C(C)C)C1COc2c(cccc2C(=O)c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39140826,False
6434,CCCc1cccc2c1OCC(N(CCC)c1csc3ccccc13)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5874913,False
6435,CCOc1c(C(=O)NCCN2CCN(c3ccccc3Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.83081764,False
6436,CCc1ccc(OC)c(OCCCCl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.36566308,False
6437,CN1CCCCC(CN2CCN(c3cccc(C(F)(F)F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.47846684,False
6438,CN1CCN(CN2CCN(CC3CCCOC3)C2=O)CC1,[*]N1CCN([*])C1=O,0.30627134,False
6439,COC(=O)C1CCCN1CN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.25424486,False
6440,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc([N+]([O-])(F)F)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3362565,False
6441,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52389556,False
6442,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94950455,False
6443,COc1cccc(N2CCN(CCN3CC(C)CCC3(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.59837204,False
6444,COc1cccc(N2CCN(CCN3CCc4ccc(Cl)cc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7641322,False
6445,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccccc3)c[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40636745,False
6446,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccn3nccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80225974,False
6447,O=C(C=CCNc1ccccc1F)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.561689,False
6448,O=C(NCC=CCN1CCN(c2cc3ccc(O)cc3cc2OCCF)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54973173,False
6449,O=C(NCC=CCN1CCN(c2cc3ccccc3s2)CC1)c1c(Cl)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46733278,False
6450,O=C(NCC=CCN1CCN(c2cccc(O)n2)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51848,False
6451,O=C1N(CC2CCCCN2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.50290024,False
6452,O=C1N(CC2CCCCN2Cc2cccc(Cl)c2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.33834895,False
6453,O=C1N(CC2CCc3ncccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.57633823,False
6454,O=C1N(CC2NCc3ccccc32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5470634,False
6455,O=C1N(CCN2CCCCCCC2)CCN1c1ccc(Cl)c(Cl)c1Cl,[*]N1CCN([*])C1=O,0.68229926,False
6456,O=C1N(CCN2CCN(Cc3ccc(F)cc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7515129,False
6457,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)COCC2,[*]N1CCN([*])C1=O,0.7783049,False
6458,O=C1N(CNCC2CC3CCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4641284,False
6459,O=C1N(Cc2cccc(Cl)c2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.2603429,False
6460,CC1(C)CC2(CN3CCN(Cc4cccc(Cl)c4)C3=O)CCCC1C2(C)C,[*]N1CCN([*])C1=O,0.304697,False
6461,CCCCN(CC)C1COc2c(cccc2C(O)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.50370514,False
6462,CCCCN(CCC)C1COc2c(cccc2-c2cc(C(O)(F)F)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6272988,False
6463,CCCN(CC1CCCC2(CCCC(=O)C2)C1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5160714,False
6464,CCCc1cccc2c1OCC(N(CC)CN)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6558665,False
6465,CCN(CC(F)(F)F)C1COc2c(CC(C)C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54236495,False
6466,CCN1CCCC1CNC(=O)c1c(Cl)ccc(SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8575404,False
6467,CCOCN1CCN(C2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.3805759,False
6468,COc1ccc(N)c(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56403685,False
6469,COc1ccc2cccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4OC)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6956987,False
6470,COc1cccc(C(=O)NCC=CCN2CCN(c3cc4c(OCCF)cccc4[nH]3)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.343672,False
6471,COc1cccc2c1-c1ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47235963,False
6472,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc([N+]Cc3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8713735,False
6473,N#Cc1cccc(N2CCN(CCN3CC4CCCC3Cc3ccccc3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.6011641,False
6474,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccccc1C(F)(F)F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52976745,False
6475,O=C(NCC=CCN1CCN(c2ccc(Oc3ccc(F)cc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3860331,False
6476,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c(Cl)cccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9356689,False
6477,O=C(NCC=CCN1CCN(c2cccc3c2-c2cc(O)ccc2CCC3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5691293,False
6478,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccn(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.813602,False
6479,O=C1N(CC2CCCCN2Cc2ccccc2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.41602078,False
6480,O=C1N(CC2CCOOC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.402146,False
6481,O=C1N(CC2CCc3ccccc3C2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.5802843,False
6482,O=C1N(CCN2CC3CCC(Cc4ccccc4C3)C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.61221266,False
6483,O=C1N(CCc2cccc(Cl)c2)CCN1CC1CCOCC1,[*]N1CCN([*])C1=O,0.31914505,False
6484,O=C1N(Cc2ccccc2F)CCN1C1CCCC(C(F)(F)F)C1,[*]N1CCN([*])C1=O,0.34458143,False
6485,O=C1N(c2cccc(C(F)(F)F)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.29168102,False
6486,O=C1NCCN1c1cccc(N2CCN(Cc3ccccc3Cl)C2=O)c1,[*]N1CCN([*])C1=O,0.3463193,False
6487,CC(C)(C)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.9133432,False
6488,CC(CN1CCN(c2cccc(Cl)c2)C1=O)NC1Cc2ccccc2C(C)(C)C1,[*]N1CCN([*])C1=O,0.54326314,False
6489,CC1CCCCN1CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.48876697,False
6490,CCCCN(C(=O)O[O-])C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.34404013,False
6491,CCCCN(C(C)=O)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42268953,False
6492,CCCCN(CC)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5939135,False
6493,CCCN(CCC)C1COc2c(cccc2C(=O)c2cc[nH]c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5970614,False
6494,CCCN(CCC)C1COc2c(cccc2S(=O)(=O)c2cccc(OC)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6055428,False
6495,CCN1CCCC1CNC(=O)c1c(C)ccc(C)c1OF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.700408,False
6496,CCON1CCCC1CNC(=O)c1c(C)ccc(CC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14961024,False
6497,CCc1ccc([N+](=O)[O-])c(C(=O)NCC2CCCN2O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.13944606,False
6498,CN1CC(N2CCN(c3cccc(Cl)c3)C2=O)CC2Cc3ccccc3C1C2,[*]N1CCN([*])C1=O,0.62260187,False
6499,CN1CCCC(CN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.43451652,False
6500,CN1CCCCCC1CN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.5705655,False
6501,CN1CCN(CCN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7896989,False
6502,COc1c(C(=O)NCCN2CCN(c3ccc([N+](N)=O)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.88589853,False
6503,COc1cc(F)cc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94974345,False
6504,COc1ccc(-c2ccnc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3729851,False
6505,COc1ccc(C(=O)NCC=CCN2CCN(c3cc(Br)ccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44528827,False
6506,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3ccccc3c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5262456,False
6507,Cc1[nH]c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1-c1cccs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8911464,False
6508,Cc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)[nH]c1-c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28199106,False
6509,Cc1cccc(N2CCN(c3cccc(NC(C)C)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.099298686,False
6510,N#CCc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.86741686,False
6511,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)cn2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42105585,False
6512,O=C(NCC=CCN1CCN(c2ccc(O)c(CF)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5026792,False
6513,O=C(NCC=CCN1CCN(c2ccc3cccccc2-3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56494814,False
6514,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cccc(O)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9359955,False
6515,O=C1N(CCN2Cc3ccccc3C2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.8851391,False
6516,CC(C)C1C2CCC1(CN(C)CN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.5135884,False
6517,CC(C)N(CO)C1COc2c(cccc2C2CC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45879456,False
6518,CC(C)N1CCc2cc(N3CCN(CC(F)(F)F)C3=O)ccc21,[*]N1CCN([*])C1=O,0.29749945,False
6519,CCCN(Cc1ccc[nH]1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6773372,False
6520,CCCN(Cc1cccc(OC)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57492995,False
6521,CCN(CCCc1cccs1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5458824,False
6522,CN1CCC(N2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.47319424,False
6523,COCC1CCN(CN2CCN(c3ccc(CC#N)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.553703,False
6524,COc1c(C(=O)NCCN2CCN(c3ccccc3[N+])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.89768916,False
6525,COc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93642676,False
6526,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64649415,False
6527,COc1ccc2[nH]c(N3CCN(CC=CCNC(=O)c4ccccc4C)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.26979673,False
6528,COc1ccc2c(c1)CN(CCN1CCN(c3cccc(OC(F)(F)F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.67954266,False
6529,COc1cccc(N2CCN(CCNC3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.5513363,False
6530,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(C)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3159652,False
6531,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3ccc(Cl)cc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46395528,False
6532,COc1ccccc1[N+](=O)N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.45868167,False
6533,Cc1cccc(CN2CCN(CCN3CCN(c4ccc5ccoc5c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.6722389,False
6534,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3Cl)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46502754,False
6535,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccccc2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8463284,False
6536,O=C(NCCN1CCN(c2ccc(Cl)c(Cl)c2)C1=O)c1cccs1,[*]N1CCN([*])C1=O,0.25238714,False
6537,O=C1N(CC2C3CCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6789087,False
6538,O=C1N(CCN2CC3CCc4ccccc4C(C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.71325153,False
6539,O=C1N(CCN2Cc3ccccc3CC3CCCCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.72040856,False
6540,O=C1N(Cc2ccc(Cl)c(Cl)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.43790945,False
6541,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CC2CCC(C1)N2Cc1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.29169336,False
6542,CC1C(C)(C)CCC12CCCN(CN1CCN(c3ccc(F)cc3)C1=O)C2,[*]N1CCN([*])C1=O,0.43718413,False
6543,CC1C2CC2CC(N2CCN(c3cccc(Cl)c3)C2=O)CC1(C)C,[*]N1CCN([*])C1=O,0.37818426,False
6544,CC1CCc2ccccc2N1CCN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4912196,False
6545,CCCN(CO)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62883025,False
6546,CCOc1c(C)ccc(C)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16465756,False
6547,CCc1cccc2c1OCC(N(COC(F)(F)c1ccccc1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.42064726,False
6548,CN(C)c1ccc(N2CCN(CC=CCNC(=O)c3c(F)cccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28675243,False
6549,COCC1C2CCC1(CN(C)C)C(N1CCN(c3ccc(F)c(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.28991348,False
6550,COc1c(C(=O)NCCN2CCN([N+](=O)c3ccc(C)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39348853,False
6551,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9488927,False
6552,COc1ccc(C(=O)NCC=CCN2CCN(c3c[nH]c4ccccc34)CC2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52131367,False
6553,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4581117,False
6554,COc1cccc2c(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)ccc-2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52734345,False
6555,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(C)ccc2CCO)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46145412,False
6556,COc1ccccc1N1CCN(N2CCN(CC=CCNC(=O)c3cccc(OCCF)c3F)CC2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.695418,False
6557,Cc1cccn1CCN1CCN(c2cccc(-c3ccccc3)c2)C1=O,[*]N1CCN([*])C1=O,0.57497233,False
6558,O=C(NCC=CCN1CCN(c2c[nH]c(-c3ccccc3O)c2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39059433,False
6559,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(O)n3)cc2)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5043337,False
6560,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1nc(O)cc2cnccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7518875,False
6561,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccccc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7510507,False
6562,O=C1N(CCN2CC3CCc4ccccc4CC2CC3)CCN1c1ccnc(Cl)c1,[*]N1CCN([*])C1=O,0.5922628,False
6563,O=C1N(CCN2CCC3CCCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.79872674,False
6564,O=C1N(CCN2CCCc3ccsc3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5944072,False
6565,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(Cl)s1,[*]N1CCN([*])C1=O,0.78948426,False
6566,O=C1N(CCOc2cccc(Cl)c2)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.7784824,False
6567,CC(=O)c1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8112019,False
6568,CC(C)N1CCc2ccc(N3CCN(c4cccc(C(F)(F)F)c4)C3=O)cc2C1,[*]N1CCN([*])C1=O,0.30471516,False
6569,CC1(C)CC2CCC(C)(CN2CCN2CCN(Cc3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.40564936,False
6570,CCCN(CCC)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.83632404,False
6571,CCCc1cccc2c1OCC(N(CCC)COC(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6269981,False
6572,CCN1CCCC1CNC(=O)c1c(OC)ccc(CCSC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9188369,False
6573,CCN1CCCCC1N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.30955344,False
6574,CCOc1c(C)ccc(SO)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16128278,False
6575,CCOc1c(O)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24860756,False
6576,CN(CCF)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9491693,False
6577,CN(Cc1ccccc1)C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79349303,False
6578,COc1ccc2c(c1)CCOC2C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7128136,False
6579,COc1cccc(CN2CCC(N3CCN(c4cccc(Cl)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.64176846,False
6580,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(C=Cc3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8286229,False
6581,Cc1cc(CN2CCN(c3ccccc3)C2=O)on1,[*]N1CCN([*])C1=O,0.22995724,False
6582,Cc1sccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.7004792,False
6583,N#Cc1cccc(CNC(=O)CN2CCN(c3ccccn3)C2=O)c1,[*]N1CCN([*])C1=O,0.110253975,False
6584,O=C(NCC=CCN1CCN(c2ccc(-n3cccc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46042663,False
6585,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(-c2cc[nH]n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47163776,False
6586,O=C(NCC=CCN1CCN(c2ccn3nc(O)cc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47384608,False
6587,O=C1N(CC(=O)N2CCc3ccc(Cl)cc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.277482,False
6588,O=C1N(CC2NCCCC2c2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6134501,False
6589,O=C1N(CCN2CCCCCC2O)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5961639,False
6590,O=C1N(CCN2Cc3ccccc3CC2O)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7218482,False
6591,O=C1N(CCNCC2CCC3CCN(C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.49036464,False
6592,O=C1N(CCOc2cccc(Cl)c2)CCN1CC1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.60053533,False
6593,O=C1N(CCOc2cccc(Cl)c2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.57003033,False
6594,O=C1N(Cc2ccc(F)cc2)CCN1CC1CCCNC1,[*]N1CCN([*])C1=O,0.34134418,False
6595,O=C1N(Cc2cccc(Cl)c2)CCN1CC1CCCOC1,[*]N1CCN([*])C1=O,0.30259597,False
6596,O=C1N(c2ccc(Cl)cc2)CCN1C1CCCCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.28469077,False
6597,CC(C)N1CCCN(CCN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.83694345,False
6598,CCCCN(C1CCCC1)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45809305,False
6599,CCCN(c1ccccc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5784763,False
6600,CCCc1cccc2c1OCC(N(COC)C(=O)C1(C)CCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3520296,False
6601,CCc1cccc2c1OCC(N(CC(C)C)c1ccco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.36214808,False
6602,CN(C)CC1=CC2=C(N3CCN(c4cc(Cl)cc(Cl)c4)C3=O)C1=CC=CC=C2,[*]N1CCN([*])C1=O,0.28108707,False
6603,COC(C)Cc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.84274435,False
6604,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(O)[nH]2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4104245,False
6605,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccncc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39530107,False
6606,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C2=CC=C(C)[N+](=O)C=CC=C2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.2515029,False
6607,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4414362,False
6608,COc1cccc2c(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)coc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50982314,False
6609,COc1cccc2c(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4F)CC3)c[nH]c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.58829993,False
6610,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(F)c(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39410514,False
6611,Cc1cc(N2CCN(CC=CCNC(=O)c3ccccc3Cl)CC2)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31955585,False
6612,N#Cc1cccc(N2CCNCC2CN2CCN(CC(F)(F)F)C2=O)c1,[*]N1CCN([*])C1=O,0.40635172,False
6613,O=C(NCC=CCN1CCN(c2cc3ccc(O)nc3[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44540438,False
6614,O=C(NCC=CCN1CCN(c2ccc(O)cc2)CC1)c1ccc(Cl)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48817915,False
6615,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55925643,False
6616,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(OCCF)c(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8714362,False
6617,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96262014,True
6618,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1nccc(F)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89104295,False
6619,O=C(NCC=CCN1CCN(c2cccc3ccc(O)nc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71136224,False
6620,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ncccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8776416,False
6621,O=C(NCC=CCN1CCN(c2ccccc2OC(F)(F)F)CC1)c1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85642856,False
6622,O=C(NCC=CCN1CCN(c2csc3cc(O)ccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59111327,False
6623,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)COCO2,[*]N1CCN([*])C1=O,0.80844563,False
6624,O=C1N(CNCC23CCC(CC2)CC3)CCN1c1cnco1,[*]N1CCN([*])C1=O,0.29113302,False
6625,O=C1N(c2cccc(C(F)(F)F)c2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.26789123,False
6626,CC1CCCCN1CCN1CCN(C2CCCOC2)C1=O,[*]N1CCN([*])C1=O,0.39292556,False
6627,CC1CCCN(CN2CCN(c3cccc(N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6143706,False
6628,CC1CCNCC1N1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.28302044,False
6629,CCCN(C(=O)c1ccsc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.22836933,False
6630,CCCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7297916,False
6631,CCCc1cccc2c1OCC(N(CCC)c1ccc(CO)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.50486195,False
6632,CCOc1c(OC)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25826406,False
6633,CN(C)CC12CCC(CC1N1CCN(c3ccccc3)C1=O)C2(C)C,[*]N1CCN([*])C1=O,0.43441114,False
6634,CN1CC2CCC(Cc3ccccc31)N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.7168292,False
6635,CN1CCCC(N2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.42403132,False
6636,COc1cc(OC)c(OC)c(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75739604,False
6637,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc4c(c3)Cc3ccccc3-4)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39950842,False
6638,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91172224,False
6639,COc1cccc(CN2CCN(c3cccc(F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.37955055,False
6640,COc1cccc(N2CCN(CCNC3CCCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.63006103,False
6641,COc1cccc(N2CCN(Cc3cc4ccccc4s3)C2=O)c1,[*]N1CCN([*])C1=O,0.3649845,False
6642,COc1cccc(N2CCN(Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3798467,False
6643,COc1ccccc1N1CCN(CC(C)C)C1=O,[*]N1CCN([*])C1=O,0.29691106,False
6644,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(-c3ccc(O)cc3)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8987546,False
6645,Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85397327,False
6646,Cc1ccc(N2CCN(CC3CCCCO3)C2=O)cn1,[*]N1CCN([*])C1=O,0.20604743,False
6647,Cc1ccc(N2CCN(CC3CNCC3O)C2=O)cc1,[*]N1CCN([*])C1=O,0.23214906,False
6648,N#Cc1cc(N2CCN(CC3CCCCN3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.4984501,False
6649,N#Cc1cccc(N2CCN(CC3CCN(Cc4ccccc4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.82399166,False
6650,N#Cc1cccc2c1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)CCC2,[*]N1CCN([*])C1=O,0.8385902,False
6651,O=C(NCC=CCN1CCN(c2cc(OCCF)c3ccccc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43322787,False
6652,O=C(NCC=CCN1CCN(c2ccc3c(c2)CC=CC=C3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38177916,False
6653,O=C(NCC=CCN1CCN(c2ccc3cc(O)ccc3c2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44258523,False
6654,O=C1N(CC2CCCNC2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.3789027,False
6655,O=C1N(CCN2CCCCCC2)CCN1c1cscc1-c1ccccc1,[*]N1CCN([*])C1=O,0.65814793,False
6656,O=C1N(CCN2CCCc3sccc3C2)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.55413777,False
6657,O=C1N(CCN2CCOCC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.3029993,False
6658,CC(C)N1CCN(CCN2CCN(c3cc(F)ccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.7096285,False
6659,CC1(C)C2CCCCC1(CN1CCN(c3ccccc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.39908394,False
6660,CCCc1cccc2c1OCC(N(CC)CC(=O)c1ccc(-c3ccccc3)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.33541882,False
6661,CCN(CO)C1COc2c(CCc3cccs3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5170133,False
6662,CCc1cccc2c1OCC(N(CC(C)C)OC(=O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.20268449,False
6663,CN1CC2CCC1CC(N1CCN(c3cccc(Cl)c3)C1=O)Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.5600187,False
6664,CN1CCc2cc(N3CCN(Cc4cccs4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.45807585,False
6665,CN[N+](=O)c1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8409661,False
6666,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2Cc2ccco2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3390748,False
6667,COc1ccc([N+](F)F)c(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5044768,False
6668,COc1ccc2cccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9373056,False
6669,Cc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(CCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35558537,False
6670,Cc1cccnc1-c1ccc(C(=O)NCC=CCN2CCN(c3c(Cl)ccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36561638,False
6671,N#Cc1ccc(CN2CCN(CN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.6413763,False
6672,N#Cc1ccc2c(c1)CN(CCN1CCN(c3cc(Cl)cc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.7436592,False
6673,O=C(NCC=CCN1CCN(C2=Cc3cccccoc(c3)C=C2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36891055,False
6674,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1ccc(C(=O)c2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4685593,False
6675,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccccc2)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91968656,False
6676,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(NCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87054235,False
6677,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2ccc(O)cc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.938711,False
6678,O=C(NCC=CCN1CCN(c2ccccc2OCc2ccccc2)CC1)c1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8830716,False
6679,O=C1N(CCN2CCCC(C(F)(F)F)C2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.5855194,False
6680,O=C1N(CN2CCN(Cc3csc4ccccc34)C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.49055728,False
6681,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CCN2Cc3ccccc3CC2C1,[*]N1CCN([*])C1=O,0.4214181,False
6682,CC(C)N1CCCN(CCN2CCN(Cc3cc4ccccc4s3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5799379,False
6683,CC(C)c1cccc(N2CCN(CCN3Cc4ccsc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.72877145,False
6684,CC1(C)CC2CCC(CN3CCN(c4cccc(F)c4)C3=O)(CC2)C1,[*]N1CCN([*])C1=O,0.44877777,False
6685,CCCCN(C1COc2c(CC)cccc2C1)n1cc(C(F)(F)F)cc1C(F)(F)F,[*]CN([*])C1COc2c([*])cccc2C1,0.48487133,False
6686,CCCCN(CC)C1COc2c(cccc2-c2cocc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48019406,False
6687,CCCc1cccc2c1OCC(N(CCC)c1ccc[nH]1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.69331044,False
6688,CCN(CCN1CCN(c2ccccc2)C1=O)C(C)C,[*]N1CCN([*])C1=O,0.47875807,False
6689,CCOc1c(O)ccc(Br)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.74382585,False
6690,CCc1ccc(S(=O)(=O)O)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.80265594,False
6691,CCc1cccc2c1OCC(N(CC(C)C)c1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.45470622,False
6692,CN1CC2CCCCC1(CN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.6685298,False
6693,COCC1CC(N2CCN(c3cccc(Cl)c3)C2=O)CN1,[*]N1CCN([*])C1=O,0.47012138,False
6694,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cccc(O)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4083955,False
6695,COc1ccccc1-c1c(C(=O)NCCN2CCN(CO)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3899255,False
6696,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(F)cc3)s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4342938,False
6697,N#Cc1sccc1CN1CCN(CC2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.43068066,False
6698,O=C(NCC=CCN1CCN(c2cc(-c3ccccn3)ccc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54687667,False
6699,O=C(NCC=CCN1CCN(c2ccc3cc(OCF)ccc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4374888,False
6700,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1CCc2ccccc21,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6701836,False
6701,O=C(NCC=CCN1CCN(c2cccc3ccccc23)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74087,False
6702,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(F)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8983097,False
6703,O=C(NCC=CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7373626,False
6704,O=C1N(CCN2CCN(C(F)(F)F)C2=O)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.70908177,False
6705,O=C1N(CCN2CCN(Cc3cccs3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.79149204,False
6706,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cnc2ccccc2c1,[*]N1CCN([*])C1=O,0.8130849,False
6707,O=C1N(CCOCc2cccc(Cl)c2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.4256976,False
6708,O=C1N(c2cccnc2)CCN1c1cccc2c1OCCC2,[*]N1CCN([*])C1=O,0.19987376,False
6709,CC(=O)N1CCCC(CN2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.1483765,False
6710,CCC1C2CCC1(CN(C)CCN1CCN(c3ccc(F)cc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.66100156,False
6711,CCCCN(C(=O)c1coc2ccccc12)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3581005,False
6712,CCCN(C(C)C)C1COc2c(Cc3ccsc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.68098146,False
6713,CCCN(c1ccc([N+](=O)[O-])cc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.35664842,False
6714,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8463341,False
6715,CN(C)c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96008855,True
6716,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC1CCC2CCC21c1ccccc1,[*]N1CCN([*])C1=O,0.6351694,False
6717,CN1CCc2ccc(N3CCN(c4cscc4-c4ccccc4)C3=O)cc21,[*]N1CCN([*])C1=O,0.4060998,False
6718,COCC1C2CCC1CN(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.63258034,False
6719,COc1c(C(=O)NCCN2CCN(c3ccc(C)c(C)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.85934514,False
6720,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8849994,False
6721,Cc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4Cl)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33254278,False
6722,Cc1cccc(C(=O)NCC=CCN2CCN(c3ccc(OCCF)cc3)CC2)c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39495647,False
6723,Cc1cccc(N2CCN(Cc3ccccn3)C2=O)c1,[*]N1CCN([*])C1=O,0.26824236,False
6724,Cc1csc(N2CCN(C3CCNCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.23379822,False
6725,O=C(NCC=CCN1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.18396679,False
6726,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1OCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9362926,False
6727,O=C(NCC=CCN1CCN(c2cccc3cccc(OC(F)(F)F)c23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.62736976,False
6728,O=C(NCC=CCN1CCN(c2cccc3ccccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68284476,False
6729,O=C(NCC=CCN1CCN(c2cnc3cc(O)ccc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.481942,False
6730,O=C(NCCN1CCN(c2ccccc2)CC1)c1cc(Br)c2ccccc2c1O,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8414928,False
6731,O=C1N(CC(F)(F)F)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.37531036,False
6732,O=C1N(CC2CCCNC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.54284126,False
6733,O=C1N(CCN2CCc3ccccc32)CCN1CC(O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4026085,False
6734,O=C1N(Cc2ccccc2)CCN1c1ccc2c(c1)Sc1ccccc1C2,[*]N1CCN([*])C1=O,0.42221156,False
6735,O=C1N(c2cccc(Cl)c2)CCN1c1ccc2c(c1)C(OCc1ccccc1)CCNC2,[*]N1CCN([*])C1=O,0.5025749,False
6736,CC(=O)c1cccc2c1OCC(N(F)CC(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.30885884,False
6737,CC(C)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84585124,False
6738,CC(NC1CCC(CN2CCN(c3cccc(C(F)(F)F)c3)C2=O)CC1)c1ccccc1,[*]N1CCN([*])C1=O,0.37383404,False
6739,CC1(C)CC(N2CCN(c3cccc(Cl)c3)C2=O)Cc2ccccc21,[*]N1CCN([*])C1=O,0.5213894,False
6740,CC1C(O)Cc2ccccc2CC2CCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C21,[*]N1CCN([*])C1=O,0.58135855,False
6741,CCCN(C(C)CC)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7227406,False
6742,CCCN(CC)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71231365,False
6743,CCN(C)CCN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.68089163,False
6744,CCN(Cc1ccoc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5549593,False
6745,CCNCc1ccc(Cl)c(C(=O)NCC2CCCN2Cl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25182375,False
6746,CCOc1c(C)ccc(CCCSC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14527623,False
6747,CCOc1c(Cl)ccc(F)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21924701,False
6748,COc1c(C(=O)NCCN2CCN(c3ccc([O-])cc3Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.76520884,False
6749,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccccc3OC)co2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32508194,False
6750,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccccn3)ccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54797167,False
6751,COc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C#N)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8554791,False
6752,Cc1cc(N2CCN(C3CCNCC3)C2=O)ccc1Cl,[*]N1CCN([*])C1=O,0.25172877,False
6753,Cc1cccc(CNCCN2CCN(c3cccc(Cl)c3F)C2=O)c1,[*]N1CCN([*])C1=O,0.2655448,False
6754,Cc1ccccc1N1CCN(CCN2CCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.41867602,False
6755,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)c1cc(Cl)cc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5073586,False
6756,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccc1-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9364422,False
6757,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(F)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9212375,False
6758,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(OCCF)c1Oc1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8603185,False
6759,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccccc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9488753,True
6760,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cncc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7296975,False
6761,O=C1CCCCN1CCN1CCN(C(F)(F)F)C1=O,[*]N1CCN([*])C1=O,0.29277846,False
6762,O=C1N(CCN2CCCCCC2)CCN1Cc1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.5955251,False
6763,O=C1N(CCN2CCCc3ccccc32)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.48915443,False
6764,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc2sccc12,[*]N1CCN([*])C1=O,0.682442,False
6765,O=C1N(Cc2cccc(Cl)c2)CCN1CC1CCCc2ccccc21,[*]N1CCN([*])C1=O,0.54572856,False
6766,CCCCN(C1COc2c(CC)cccc2C1)C([O-])c1ccoc1,[*]CN([*])C1COc2c([*])cccc2C1,0.45777643,False
6767,CCCN(CO)C1COc2c(C=C3C(=O)CC4(CCCC4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41190264,False
6768,CCOc1c(C)ccc(S(C)(=O)=O)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.13639256,False
6769,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2ccnc3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60927707,False
6770,COc1cc(Cl)ccc1C(=O)NCC=CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41181892,False
6771,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c2cc(O)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5300142,False
6772,COc1cccc(-c2ccccc2C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76404065,False
6773,COc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6794065,False
6774,COc1ccccc1C(=O)NCC=CCN1CCN(c2c[nH]c(-c3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37918407,False
6775,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(F)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44550875,False
6776,Cc1c(Cl)cccc1N1CCN(CC2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.33393684,False
6777,Cc1cccc(N2CCN(C3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.29157487,False
6778,Cc1cccc(N2CCN(CCN3CCc4ccccc4CC34CCCC4)C2=O)c1,[*]N1CCN([*])C1=O,0.5540981,False
6779,N#Cc1ccc2c(c1)CN(CCN1CCN(c3cccc(Cl)c3)C1=O)CCC2,[*]N1CCN([*])C1=O,0.8207051,False
6780,O=C(NCC=CCN1CCN(c2c[nH]c(-c3ccccn3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43094483,False
6781,O=C(NCC=CCN1CCN(c2cc3cccc(OCCF)c3s2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3519203,False
6782,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)cn2)CC1)c1cccc(F)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45429063,False
6783,O=C(NCC=CCN1CCN(c2ccc(-c3ccnc(O)c3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46334463,False
6784,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5815531,False
6785,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)OCC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8028328,False
6786,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1C=Cc1ccc(cc1)Cc1ccc(cc1)CC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7281362,False
6787,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccc[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7684258,False
6788,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(C(=O)Nc2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67642903,False
6789,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1cccc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.505449,False
6790,O=C(NCC=CCN1CCN(c2ccnc3ccccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60212624,False
6791,O=C1N(CC(F)NCc2ccccc2Cl)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.14610335,False
6792,O=C1N(CC2CC2c2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6236316,False
6793,O=C1N(CCN2Cc3ccccc3CC3CCCC2C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.47841492,False
6794,O=C1N(c2cccc(Cl)c2)CCN1C1CNCCO1,[*]N1CCN([*])C1=O,0.33912885,False
6795,O=C1N(c2cccc(Cl)c2)CCN1c1ccc2c(c1)Cc1ccccc1S2,[*]N1CCN([*])C1=O,0.37538275,False
6796,C=CCOc1c(OC)ccc(CCCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25515616,False
6797,CCCN(CC)C1COc2c(cccc2-c2cc(C)no2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54185724,False
6798,CCN(CC(C)C)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.58818436,False
6799,CCN(CC)CN1CCN(c2ccccn2)C1=O,[*]N1CCN([*])C1=O,0.25474936,False
6800,CCN1CCCC1CNC(=O)c1c(C)ccc(Cl)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.62827915,False
6801,CCOc1ccccc1N1CCN(Cc2cc3ccccc3s2)C1=O,[*]N1CCN([*])C1=O,0.251441,False
6802,CN(C)Cc1cccc(CN2CCN(c3ccc(F)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.3433887,False
6803,COCC1(CN2CCN(c3cccc(Cl)c3)C2=O)CC2CC1C(C)(C)C2,[*]N1CCN([*])C1=O,0.5436763,False
6804,COCC1Cc2ccccc2N1CCN1CCN(c2cc(Cl)ccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.5611307,False
6805,COc1c(C(=O)NCCN2CCN([N+](=O)c3ccccc3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4156928,False
6806,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-n3cccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63977665,False
6807,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)o2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87218213,False
6808,COc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39532155,False
6809,COc1ccc(N2CCN(CN(C)CC34CCC(CC3)C4(C)C)C2=O)cc1,[*]N1CCN([*])C1=O,0.4986574,False
6810,COc1cccc(N2CCN(CCN(C)Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.694088,False
6811,COc1cccc(N2CCN(COC3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.46556035,False
6812,COc1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.7947027,False
6813,Cc1cc(N2CCN(C3COCCN3)C2=O)cs1,[*]N1CCN([*])C1=O,0.18549691,False
6814,Cc1cccc(CN2CCN(CC3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.41876724,False
6815,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C(CO)C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9100186,False
6816,O=C(NCC=CCN1CCN(c2cccnc2-c2cccc(O)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68719196,False
6817,O=C1N(CC2CCCCN(Cc3ccccc3)C2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.490264,False
6818,O=C1N(CCN2CCCCC3CCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7011071,False
6819,O=C1N(CCN2CCCc3sccc3C2)CCN1c1ccc2c(c1)Cc1ccccc1-2,[*]N1CCN([*])C1=O,0.6973233,False
6820,O=C1N(CCN2CCCc3sccc3C2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.66388696,False
6821,O=C1N(CCOc2cccc(Cl)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.67917496,False
6822,O=C1N(c2ccccc2CO)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.2630005,False
6823,CC(C)c1cccc(N2CCN(CC3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.4065872,False
6824,CCCCN(C1COc2c(CC)cccc2C1)C(C)c1ccccc1,[*]CN([*])C1COc2c([*])cccc2C1,0.46513578,False
6825,CCCCN(c1ccco1)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4572704,False
6826,CCCN(CC(=O)O)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51411253,False
6827,CCCN(CCC)C1COc2c(cccc2C(=O)Oc2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6294178,False
6828,CCCc1cccc2c1OCC(N(CCC)c1ccc(C(=O)O)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.37657738,False
6829,CCN1CCCC1COc1c(C)ccc(C)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.34959632,False
6830,CC[N+]c1ccccc1-c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.29360494,False
6831,CCc1ccc(C)c(OCCc2ccccc2)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16102439,False
6832,CCc1cccc2c1OCC(N(CC(C)C)c1ccc(C=O)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.44173834,False
6833,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2C(=O)c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4699973,False
6834,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C2=CC=C(C)[N+](N=O)C=CC=C2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.23138091,False
6835,COc1cc(Cl)cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8335871,False
6836,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4313174,False
6837,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3ccccn3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4191181,False
6838,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C)c(-c3cccc(F)c3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8974627,False
6839,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Cl)cc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9354941,False
6840,COc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.91180587,False
6841,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1cc(Cl)ccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5091722,False
6842,O=C(NCC=CCN1CCN(c2cccc(F)c2)CC1)c1ccccc1Oc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43427047,False
6843,O=C(NCC=CCN1CCN(c2ccccc2COc2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87113786,False
6844,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc2c(c1)Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6875182,False
6845,O=C(NCC=CCN1CCN(c2cccs2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43344313,False
6846,O=C(NCC=CCN1CCN(c2nccc3cccc(O)c23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40216625,False
6847,O=C(NCc1ccc(F)cc1)N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.14234674,False
6848,O=C1N(CCN2CCC3CCC2CC3)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.62316346,False
6849,O=C1N(CCN2CCC3CCc4ccccc4CC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.65060127,False
6850,O=C1N(Cc2ccc(Cl)c(Cl)c2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.27205685,False
6851,O=C1N(c2cccc(Cl)c2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.38589644,False
6852,[N+]c1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4621509,False
6853,CC(CN1CCN(c2cccc(Cl)c2)C1=O)NC1CCCCC1,[*]N1CCN([*])C1=O,0.403114,False
6854,CCN1CCCC1CNC(=O)c1c(OC)ccc(SO)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9453224,False
6855,CCc1ccc(CC)c(C(=O)NCC2CCCN2OC)c1OS,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25580788,False
6856,COCC1C2CCC1CC(N1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.4860339,False
6857,COc1c(C)ccc(Cl)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22178927,False
6858,COc1cc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8970758,False
6859,COc1ccc(Cl)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.490815,False
6860,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4cccc(OCCF)c4)CC3)oc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34261104,False
6861,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(C)c(-c3ccc(F)cc3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3084255,False
6862,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OCCF)c(F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38576534,False
6863,COc1ccccc1N1CCN(CC=CCNC(=O)NC(=O)c2cc3cc(O)ccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.846188,False
6864,Cc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8388237,False
6865,Cc1ccc(C)c(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40003836,False
6866,Cc1ccc(N2CCN(CCN(C)CC34CCC(CC3)C4(C)C)C2=O)cc1,[*]N1CCN([*])C1=O,0.6464907,False
6867,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCCCCC1,[*]N1CCN([*])C1=O,0.1691748,False
6868,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(Cl)cc3)[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46268654,False
6869,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(F)n3)cc2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46352446,False
6870,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c(-c2ccc(Br)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9075367,False
6871,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cc(O)c[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93252325,False
6872,O=C(NCC=CCN1CCN(c2cccc3c2C(O)Cc2ccccc2C3)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6868878,False
6873,O=C(NCC=CCN1CCN(c2ccccc2OC(F)(F)F)CC1)c1ccc(-c2ccccc2F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7725298,False
6874,O=C1N(CC2CC=Cc3ccsc3C2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.35633004,False
6875,O=C1N(CC2CCC3c4ccccc4CCN3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6733833,False
6876,O=C1N(CC2CCc3ccsc3CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.51324356,False
6877,O=C1N(CCCN2CCCCCC2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.64370376,False
6878,O=C1N(CCN2c3ccccc3CC3CCCCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.71506864,False
6879,O=C1N(CCNCc2cc3ccccc3s2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.38529888,False
6880,O=C1N(CN2CCC(OCc3ccccc3)C2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.6174454,False
6881,O=C1N(c2cccc(C(F)(F)F)c2)CCN1C1CCCC2CCCCN21,[*]N1CCN([*])C1=O,0.25993255,False
6882,O=C1N(c2ccccc2)CCN1C1CC2CC3CC(C2)C(C3)C1,[*]N1CCN([*])C1=O,0.2780195,False
6883,CC(C)N1CCN(CCN2CCN(c3ccsc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7863994,False
6884,CC(c1ccccc1)N1CCC(F)(CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.47422597,False
6885,CCCCN(CCC)C1COc2c(cccc2-c2cc(C(F)(F)F)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.64090836,False
6886,CCCN(CCC)C1COc2c(CCc3ccco3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.64739513,False
6887,CCCN(CO)C1COc2c(cccc2-c2ccc(C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46814448,False
6888,CCCN(OC)C1COc2c(CCc3ccsc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.76728517,False
6889,CCCc1cccc2c1OCC(N(Br)CCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.72450835,False
6890,CCN1CCCCCC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5876696,False
6891,CCOc1c(CC)ccc(C)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15196761,False
6892,CCc1cccc2c1OCC(N(CBr)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.48556846,False
6893,COc1cc(N2CCN(CC=CCNC(=O)c3ccc(OCCF)cc3)CC2)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3720108,False
6894,COc1ccc(-c2ccccc2Cl)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8982073,False
6895,COc1ccc(C(=O)NCC=CCN2CCN(Cc3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.289312,False
6896,COc1cccc(N2CCN(CCN3CCN(C(C)C)Cc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.62426406,False
6897,COc1ccccc1CN1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.26208922,False
6898,N#CCN1Cc2sccc2CCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.58242565,False
6899,Nc1ccc(F)c(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88120294,False
6900,O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)C1=O)NCc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.10150219,False
6901,O=C(NCC=CCN1CCN(c2ccc(-c3ccc([N+]([O-])F)cc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41492337,False
6902,O=C(NCC=CCN1CCN(c2cccc(-c3ccc(Cl)cc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52201253,False
6903,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1cc2ccccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5215677,False
6904,O=C(NCC=CCN1CCN(c2cccc[n+](=O)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3983585,False
6905,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cnc2ccc(O)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88621527,False
6906,O=C(NCCN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cc(Br)c2ccccc2c1CO,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7013109,False
6907,O=C1N(CC2COc3ccccc3N2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.34434715,False
6908,O=C1N(CCN2CCC(c3ccccc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.90843564,False
6909,O=C1N(CCN2CCCC3CCCCCC32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.47517976,False
6910,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(Cl)ccc1C(F)(F)F,[*]N1CCN([*])C1=O,0.87315124,False
6911,CC1CCCCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7752593,True
6912,CC1CN(CCN2CCN(c3ccc(Cl)cc3)C2=O)c2ccccc21,[*]N1CCN([*])C1=O,0.45240438,False
6913,CCN1CCN(C2CCCCC2)C1=O,[*]N1CCN([*])C1=O,0.34417513,False
6914,CCc1ccc(CC)c(C(=O)NCC2CCCN2O)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18355864,False
6915,CN(C)c1ccc(N2CCN(CC=CCNC(=O)c3ccc(Cl)cc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4470339,False
6916,COCC1CCN(CCN2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.7859875,False
6917,COc1c(C(=O)NCCN2CCN(c3cccc(C)c3[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.88471353,False
6918,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(O)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43699718,False
6919,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c(C)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49580994,False
6920,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)nc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39317596,False
6921,COc1cccc(CN2CCCCC2N2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.31425878,False
6922,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccs2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93688816,False
6923,Cc1cc(CN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)on1,[*]N1CCN([*])C1=O,0.7774898,False
6924,Cc1cccc(N2CCN(c3ccc4sccc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.12560533,False
6925,N#Cc1cccc(N2CCN(C3CCCN(CCc4ccccc4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6018578,False
6926,O=C(NCC=CCN1CCN(c2cc(-c3ccccc3)c(O)[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40558705,False
6927,O=C(NCC=CCN1CCN(c2ccc(O)c(CCF)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48537093,False
6928,O=C(NCC=CCN1CCN(c2ccc3c(c2)CCOc2ccccc2-3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.429077,False
6929,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1CCc2c(O)cccc2C1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.775451,False
6930,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1COc2ccccc2C1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64410853,False
6931,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2ccncc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94812423,False
6932,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccoc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88426894,False
6933,O=C(NCC=CCN1CCN(c2cccc(F)c2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4268281,False
6934,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c[nH]c(-c2ccc(F)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.886381,False
6935,O=C(NCCF)Oc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7799829,False
6936,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccccc1C(F)(F)F,[*]N1CCN([*])C1=O,0.9130155,False
6937,O=C1N(CNCC2CCCCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.22128932,False
6938,O=C1N(Cc2cccc(Cl)c2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.31952268,False
6939,O=C1N(Cc2ccccc2)CCN1Cc1cccs1,[*]N1CCN([*])C1=O,0.35687798,False
6940,O=C1N(c2cccc(Cl)c2)CCN1C1CCC2(CCCc3ccccc3C2)C1,[*]N1CCN([*])C1=O,0.44371524,False
6941,CC1CCCN(CCN2CCN(C)C2=O)CC1,[*]N1CCN([*])C1=O,0.61085093,False
6942,CCCCC1CN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC2CC12,[*]N1CCN([*])C1=O,0.7150029,False
6943,CCCCN(CC)C1COc2c(cccc2-c2ccc(Br)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5650981,False
6944,CCCCN(CC)C1COc2c(cccc2-c2sccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4685333,False
6945,CCCCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.76151884,False
6946,CCCc1ccc(O)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7716905,False
6947,CCN1CCCC1CNC(=O)c1c(C(C)C)ccc(C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7996403,False
6948,CCOCN1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1=O,[*]N1CCN([*])C1=O,0.733163,False
6949,CCOOc1c(OC)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2543778,False
6950,CCOc1c(C)ccc([SH](C)C)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16594107,False
6951,CCc1ccc(CC)c(C(=O)NCC2CCCN2C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25693145,False
6952,CCc1cccc(Cl)c1N1CCN(C2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.53382593,False
6953,COCC1Cc2ccccc2CN1CCN1CCN(c2ccc3c(c2)OCO3)C1=O,[*]N1CCN([*])C1=O,0.4747594,False
6954,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(F)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6800446,False
6955,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)cc1OCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39971042,False
6956,COc1cccc(C2CCCCC2N2CCN(c3cc(Cl)cc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.29561442,False
6957,COc1cccc(C2CCN(CN3CCN(c4ccc(F)cc4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.6621442,False
6958,COc1cccc(CNCN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.38869336,False
6959,COc1cccc(N2CCN(CCN(C)Cc3cccc(C)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.66991806,False
6960,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3scc(Cl)c3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50261104,False
6961,COc1ccccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7702793,False
6962,COc1ccnc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9483231,False
6963,Cc1cccc(N2CCN(CCN3CCCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.88875943,False
6964,Cc1nsc(C)c1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.38419667,False
6965,N#CC1CCN(CCN2CCN(c3ccc(Cl)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7903043,False
6966,O=C(NCC=CCN1CCN(c2ccc(-n3ccnc3)cc2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47817418,False
6967,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54999965,False
6968,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCO)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9729414,False
6969,O=C1N(CCN2CCC(CF)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.9064054,False
6970,O=C1N(CCNC2CCCCC2)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.38833052,False
6971,O=C1N(Cc2cccnc2)CCN1CC1CNCc2ccccc21,[*]N1CCN([*])C1=O,0.5065901,False
6972,C=CCOc1c(OC)ccc(CCS)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20654218,False
6973,CC(=O)NCCN(CO)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.28870153,False
6974,CC1(C)C2CCC1(CN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.63424575,False
6975,CC1(C)CC2CC(C)(CN2CCN2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.58382404,False
6976,CC1CCC2Cc3ccccc3CC2N1CCN1CCN(c2ccc(Cl)c(F)c2)C1=O,[*]N1CCN([*])C1=O,0.5477092,False
6977,CC1CCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.8992999,True
6978,CCCCN(O)C1COc2c(cccc2C2CCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4948248,False
6979,CCCN(CCC)C1COc2c(cccc2-c2ccccc2F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7564955,False
6980,CCCN(c1ccc(OC)cc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5225037,False
6981,CCCc1ccc(OC)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.94546366,False
6982,CCCc1cccc2c1OCC(N(CC)Cc1cccc(C(C)=O)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.34695143,False
6983,CCN(Cc1cccc(C)c1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.44545582,False
6984,CCOc1c(C)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.64226794,False
6985,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3898383,False
6986,CCc1ccc(C)c(OO)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18736546,False
6987,CCc1ccc(OC)c(OOSC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.26685914,False
6988,CCc1cccc2c1OCC(N(CC1CCCCC1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.45095792,False
6989,CN(CCN1CCN(c2ccccc2)C1=O)CC12CCCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.7382409,False
6990,CN1CCN(c2ccc3c(c2)CCO3)C1=O,[*]N1CCN([*])C1=O,0.40002182,False
6991,CON1CCCC1CNC(=O)c1c(C)ccc(C)c1OSC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14822435,False
6992,COc1cc(-c2ccccc2)ccc1C(=O)NCC=CCN1CCN(c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85978854,False
6993,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65426236,False
6994,COc1ccc(OCCF)cc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8622199,False
6995,Cc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1-c1ccsc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8328496,False
6996,Cc1ccc(N2CCN(c3ccc4c(c3)N(C)CC4)C2=O)s1,[*]N1CCN([*])C1=O,0.4071277,False
6997,O=C(NCC=CCN1CCN(c2cccc(O)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49134237,False
6998,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(F)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8715735,False
6999,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc2ccccc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8721495,False
7000,O=C(NCC=CCN1CCN(c2ccncc2)CC1)c1ccc(Cl)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50288016,False
7001,O=C1N(CCN2c3ccccc3CC3CCCCC2C3)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.48619476,False
7002,O=C1N(CCNCC2(CO)CCC3Cc4ccccc4C2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.49125177,False
7003,O=C1N(CCNCC2CCCCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.33926558,False
7004,C=CCN1CCCC1CNC(=O)c1c(Cl)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.56752115,False
7005,CC(C)N1CCCc2cc(N3CCN(c4cccc(Cl)c4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.32805768,False
7006,CC(CN1CCN(c2cccc(C(F)(F)F)c2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.44598442,False
7007,CC(F)(F)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.81630677,False
7008,CC1CCCc2ccc(N3CCN(c4ccc5c(c4)Cc4ccccc4-5)C3=O)cc2N1,[*]N1CCN([*])C1=O,0.41247517,False
7009,CCN(C(C)=O)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.24243025,False
7010,CCOc1c(C)ccc([SH](C)O)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16594107,False
7011,CCc1ccc(OC)c(C(=O)NCC2CCCN2Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.26311436,False
7012,CCc1cccc2c1OCC(N(CC(C)=O)c1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.26192528,False
7013,CN(C)c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3N(C)C)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3700819,False
7014,CN1CCCCC1CN1CCN(c2cccs2)C1=O,[*]N1CCN([*])C1=O,0.34617835,False
7015,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2NC(=O)c2ccccc2Cl)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37692335,False
7016,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)c(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5137138,False
7017,COc1ccc2cccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6740048,False
7018,COc1ccc2ncc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3759524,False
7019,COc1cccc(-c2c(C(=O)NCCN3CCN(C)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3366439,False
7020,COc1ccn(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89482254,False
7021,Nc1ccccc1C(=O)NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46837014,False
7022,O=C(CN1CCN(Cc2cccc(Cl)c2)C1=O)NCc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.092922986,False
7023,O=C(NCC=CCN1CCN(C2CCCc3c(O)cccc32)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4175095,False
7024,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1cccc(F)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5554248,False
7025,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1=CC=Cc2ccccc2N1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68076533,False
7026,O=C(NCC=CCN1CCN(c2csc(-c3ccccc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42003536,False
7027,O=C1N(CC2CCCCC2)CCN1CC1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.567072,False
7028,O=C1N(CC2CCCNCC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.57813203,False
7029,O=C1N(CCN2CC3CCCCC3C2c2ccccc2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.5211076,False
7030,O=C1N(CNCc2cc3ccccc3s2)CCN1c1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.28095466,False
7031,O=C1N(c2cccc(F)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.29293993,False
7032,CC1(C)CCCN(CCN2CCN(c3ccc(Cl)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.5644905,False
7033,CC1CCCN(CCN2CCN(C(C)C)C2=O)CC1,[*]N1CCN([*])C1=O,0.59197944,False
7034,CC1CCCN(CCN2CCN(c3cccc(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.9066716,False
7035,CC1CN(CCN2CCN(c3cccc(Cl)c3)C2=O)CCC1c1ccccc1,[*]N1CCN([*])C1=O,0.8662387,False
7036,CCCCN(C(=O)c1ccoc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.20022325,False
7037,CCCOc1c(C)ccc(CCC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17827247,False
7038,CCCc1ccc(C)c(C(=O)NCC2CCCN2C)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19056724,False
7039,CCN(COC(C)=O)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.28397742,False
7040,CCN1CCCC1CNC(=O)c1c(C)ccc(C)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.77311337,False
7041,CN(C)CCN1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.66761476,False
7042,COc1c(C(=O)NCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.858359,True
7043,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2ccc[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40824303,False
7044,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2cccc(F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4520568,False
7045,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4OC)CC3)cn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70751876,False
7046,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4136258,False
7047,COc1ccccc1CCN1CCN(CC=CCNC(=O)c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32145634,False
7048,Cc1cc(CN(C)CN2CCN(c3cccc(Cl)c3)C2=O)ccn1,[*]N1CCN([*])C1=O,0.39913964,False
7049,Cc1cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)ccc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36244345,False
7050,Cc1cccc(CN2CCCCCC2N2CCN(c3cccc(C)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.27818567,False
7051,O=C(NCC=CCN1CCN(CC(=O)c2ccccc2Cl)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30021858,False
7052,O=C(NCC=CCN1CCN(Cc2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43749028,False
7053,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1cccc(Cl)c1[N+](=O)F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46048772,False
7054,O=C(NCC=CCN1CCN(c2ccc(Cc3ccccc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45491531,False
7055,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)Nc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72698957,False
7056,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(OCCF)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9078605,False
7057,O=C(NCC=CCN1CCN(c2cccc3c2-c2ccccc2CC3)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7101571,False
7058,O=C1N(CCN2CCCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.93992645,False
7059,O=C1N(CCN2CCCCC2O)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.29980078,False
7060,O=C1N(CCNC2CCC3CCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6151763,False
7061,O=C1N(CN2CCCCc3sccc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.43854058,False
7062,O=C1N(CNCc2cc3ccccc3s2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.26346922,False
7063,CC1CCc2ccccc2N(CCN2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.52264285,False
7064,CCCCN(CC)C1COc2c(cccc2C(=O)c2ccc(O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41366607,False
7065,CCCCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5817455,False
7066,CCCCN(c1ccc[nH]1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5119437,False
7067,CCCN(CCC)C1COc2c(C=Cc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.68746835,False
7068,CCCN1CCC2CCC1Cc1ccc(N3CCN(c4cccc(Cl)c4)C3=O)cc1C2O,[*]N1CCN([*])C1=O,0.48579115,False
7069,CCN(CC)CN1CCN(Cn2cccc2)C1=O,[*]N1CCN([*])C1=O,0.3529245,False
7070,CCN(CCN1CCN(c2cccc(Cl)c2Cl)C1=O)Cc1ccccc1,[*]N1CCN([*])C1=O,0.42018268,False
7071,CNc1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39339474,False
7072,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(CN(C)c3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36558855,False
7073,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(O)c3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9506187,False
7074,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)-c2ccccc2Cc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8964468,False
7075,COc1ccccc1N1CCN(CCN2CCCC3(CCC(C)(C)C3)C2)C1=O,[*]N1CCN([*])C1=O,0.571095,False
7076,Cc1[nH]c(-c2ccc(O)cc2)cc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59377146,False
7077,Cc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8637708,False
7078,N#CC1(CCN2CCN(c3cccc(Cl)c3)C2=O)Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.6488,False
7079,O=C(NCC=CCN1CCN(c2cc3ccccc3cc2OCCF)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59245884,False
7080,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1c(F)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38586435,False
7081,O=C(NCC=CCN1CCN(c2ccccc2O)CC1)c1cccc2c1-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7683584,False
7082,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccccc2OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7629449,False
7083,O=C(NCC=CCN1CCN(c2ccccn2)CC1)NCCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4768383,False
7084,O=C(NCC=CCN1CCN(c2ccnc3c(O)cccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.658771,False
7085,O=C1N(CC2CCCCCN2)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.4215711,False
7086,O=C1N(CCN2CCCC(C(F)(F)F)CC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.91135275,False
7087,O=C1N(CCN2CCCC3CCC32Cc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7428721,False
7088,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.7988951,False
7089,O=C1N(Cc2cccc(OC(F)(F)F)c2)CCN1CC(F)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.2602785,False
7090,O=C1N(c2ccccc2Cl)CCN1C1CCc2ccsc2CC1,[*]N1CCN([*])C1=O,0.32369363,False
7091,CCCN(CC(C)=O)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.566009,False
7092,CCCN(CCC)C1COc2c(CCc3ccc(OC)cc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7801572,False
7093,CCCN(Cc1ccccc1C(=O)OC)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4400959,False
7094,CCCc1cccc2c1OCC(N(C=O)Cc1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4883126,False
7095,CCCc1cccc2c1OCC(N(COC)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5319614,False
7096,CCN(C)CCN1CCN(c2cccs2)C1=O,[*]N1CCN([*])C1=O,0.46564767,False
7097,CCN(CC(C)C)C1COc2c(cccc2-c2ccc(OS(C)(=O)=O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5128979,False
7098,CCc1ccc(C)c(OO)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.66841495,False
7099,CN(CN1CCN(c2ccc(Cl)cc2)C1=O)CC12CCCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.47738954,False
7100,CN1CC2CCC(Cc3ccccc31)C(N1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.5426921,False
7101,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(C)c2[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.31908605,False
7102,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4737427,False
7103,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2S(=O)(=O)c2ccc(C)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.20591587,False
7104,COc1ccc(Cl)c(N2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6530788,False
7105,COc1cccc(N2CCN(CC=CCNC(=O)c3cccc4c3Cc3ccccc3-4)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6612865,False
7106,Cc1cc(CN(C)CN2CCN(c3cccc(C#N)c3)C2=O)cs1,[*]N1CCN([*])C1=O,0.4932854,False
7107,Cc1cccc(CN2CCN(C3CCOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.32809418,False
7108,N#Cc1ccc(Cl)cc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.79417074,False
7109,O=C(C=Cc1ccccc1)C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71695274,False
7110,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1cccc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56427777,False
7111,O=C(NCC=CCN1CCN(c2ccccc2-c2cccnc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7862825,False
7112,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(O)c2[nH]ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8694051,False
7113,O=C1N(CC2CCCNC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.40373504,False
7114,O=C1N(CC2COCCN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.48812944,False
7115,O=C1N(CCN2Cc3ccccc3C2)CCN1c1c[nH]c2ccccc12,[*]N1CCN([*])C1=O,0.79752517,False
7116,O=C1N(CN2CCCc3sccc3C2)CCN1c1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.4665336,False
7117,O=C1N(c2ccc(F)cc2)CCN1C1CC2CCC(C1)N2Cc1ccccc1,[*]N1CCN([*])C1=O,0.40678236,False
7118,O=C1N(c2ccccc2)CCN1C1CCC(C#Cc2ccccc2)CC1,[*]N1CCN([*])C1=O,0.36009917,False
7119,C=S(O)Oc1c(C)ccc(CC)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15045467,False
7120,CC1(C)CC2CN(CCN3CCN(c4cccc(C#N)c4)C3=O)CC(C)(C1)C2(C)C,[*]N1CCN([*])C1=O,0.72459066,False
7121,CCN1CCCC1CNC(=O)c1c(C)ccc(CS)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.63177675,False
7122,COCC1Cc2ccccc2N1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7252276,False
7123,COc1c(C(=O)NCCN2CCN(c3ccc([N+]([O-])[O-])cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.81763273,False
7124,COc1ccc([N+](=O)[O-])c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85053176,False
7125,COc1ccc2c(Br)cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9366066,False
7126,COc1cccc(N2CCN(CC3CN(C)Cc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.6642103,False
7127,COc1cccc(N2CCN(CCN3CCCc4ccsc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7556425,False
7128,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccnc3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60234797,False
7129,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c3cc(OCCF)ccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9377399,False
7130,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96265423,False
7131,Cc1csc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.85385984,False
7132,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3O)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48993197,False
7133,O=C(NCC=CCN1CCN(c2ccc(-c3cncnc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43540412,False
7134,O=C(NCC=CCN1CCN(c2ccc(Cl)s2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4812319,False
7135,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(CCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9215666,False
7136,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc([N+](F)(F)F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84729373,False
7137,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.53454244,False
7138,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc[nH]c1Oc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84860134,False
7139,O=C1N(C#Cc2ccccc2)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.84073424,False
7140,O=C1N(CC2CCCCN2)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.4870105,False
7141,O=C1N(CC2CCNCC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.44790587,False
7142,O=C1N(CCN2CCC(c3ccc(Cl)cc3)CC2)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.77363306,False
7143,O=C1N(CCN2CCCC(C(F)(F)F)C2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.7490016,False
7144,O=C1N(CCN2CCCC(c3ccccc3)C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.68517613,False
7145,O=C1N(CCN2CCCCCCC2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.89790857,False
7146,O=C1N(CCOc2ccccc2)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.79524565,False
7147,O=C1N(c2cccc(OC(F)(F)F)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.24817844,False
7148,CC(C)N1CCN(CCN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)Cc2ccccc21,[*]N1CCN([*])C1=O,0.587893,False
7149,CC(C)NCCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.36486804,False
7150,CC(C)OC1CCN(CCN2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.82737345,False
7151,CC12CCC(CC1)CN(CCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.8395924,False
7152,CC12CCCC(CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1)C2,[*]N1CCN([*])C1=O,0.86526215,False
7153,CC1CNCc2cccc(N3CCN(c4cccc(Cl)c4)C3=O)c2Cc2ccccc21,[*]N1CCN([*])C1=O,0.47946215,False
7154,CCCN(C(C)C)C1COc2c(cccc2-c2cc(C)cs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5543984,False
7155,CCCN(CC(C)(C)c1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6658334,False
7156,CCCc1cccc2c1OCC(N(CO)C(=O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.28319138,False
7157,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(CCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4334363,False
7158,COC(=O)C1CCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.5540445,False
7159,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28758353,False
7160,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(-c4ccccn4)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39815527,False
7161,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Oc3ccc(F)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.369544,False
7162,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3c[nH]c(O)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91014916,False
7163,Cc1ccccc1-c1c(C(=O)NCCN2CCN(C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3537156,False
7164,Nc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8976957,False
7165,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1cc(Br)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41515654,False
7166,O=C(NCC=CCN1CCN(c2cc3ccccc3[nH]2)CC1)c1cccc(OCCF)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4835009,False
7167,O=C(NCC=CCN1CCN(c2ccc3ccccc3n2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41975892,False
7168,O=C(NCC=CCN1CCN(c2ccccc2O)CC1)c1cccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7504896,False
7169,O=C1N(CCN2CCOCC2Cc2ccccc2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.3665933,False
7170,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(C(F)(F)F)cc1,[*]N1CCN([*])C1=O,0.921171,False
7171,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccnc1C(F)(F)F,[*]N1CCN([*])C1=O,0.7689716,False
7172,O=C1N(CN2CCCC(OCc3ccccc3)C2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.50551057,False
7173,O=C1N(Cc2cccs2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.36469138,False
7174,O=C1N(c2cccc(Cl)c2)CCN1C1CCNCC2Cc3ccccc3CCC21,[*]N1CCN([*])C1=O,0.41613588,False
7175,C=Cc1cccc2c1OCC(N(CCCC)c1cc(C(F)(F)F)co1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5466668,False
7176,CC(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCCCC1,[*]N1CCN([*])C1=O,0.39640728,False
7177,CC1(C)CC2CN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC2(C)C1,[*]N1CCN([*])C1=O,0.8307211,False
7178,CC12CC(C1)C(C)(C)CN(CCN1CCN(c3ccc4ccccc4c3)C1=O)C2,[*]N1CCN([*])C1=O,0.6757056,False
7179,CCCCN(C=Cc1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39516634,False
7180,CCCN(CC)C1COc2c(cccc2C(=O)c2cc3ccccc3s2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42648643,False
7181,CCCN(Cc1ccoc1)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5968045,False
7182,CCCc1cccc2c1OCC(N(C)Cc1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5857356,False
7183,CCCc1cccc2c1OCC(N(CCC)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.68455505,False
7184,CN(C)c1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93964654,False
7185,COc1ccc2c(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)n[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31545553,False
7186,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3cc(F)ccc3s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35909736,False
7187,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8952458,False
7188,Cc1cc(CN2CCN(c3cccc(F)c3)C2=O)on1,[*]N1CCN([*])C1=O,0.24558061,False
7189,Cc1cccnc1-c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35391244,False
7190,N#CCOCCN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.6300883,False
7191,O=C(NCC=CCN1CCN(C=Cc2ccccc2Cl)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33500937,False
7192,O=C(NCC=CCN1CCN(CN2CCN(c3ccc(OCCF)cc3)CC2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44110858,False
7193,O=C(NCC=CCN1CCN(c2cc(O)ccn2)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49625966,False
7194,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(OCCF)c3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42681208,False
7195,O=C(NCC=CCN1CCN(c2ccc(-c3ccncc3)cc2)CC1)c1ccc(Cl)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4968706,False
7196,O=C(NCC=CCN1CCN(c2ccc(O)cc2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4901391,False
7197,O=C(NCC=CCN1CCN(c2ccc3c(c2)C(=O)c2ccccc2-3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4312132,False
7198,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(O)cc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9223988,False
7199,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccnc(-c2ccccc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92353904,False
7200,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(F)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88551843,False
7201,O=C1N(CC2CCC(CF)N2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.36736912,False
7202,O=C1N(CC2CCCCC2)CCN1c1cccc2c1OCC2,[*]N1CCN([*])C1=O,0.35099968,False
7203,O=C1N(CCN2CCC(CF)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8257032,False
7204,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc2ccccc2n1,[*]N1CCN([*])C1=O,0.6862045,False
7205,O=C1N(CCN2CCc3sccc3C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.72469455,False
7206,O=C1N(Cc2cc3ccccc3s2)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.40824324,False
7207,C#Cc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94977605,False
7208,CC(C)CN1C2CCC1CC(CC(C)N1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.40520853,False
7209,CC1(CN2CCN(Cc3cccc(Cl)c3)C2=O)CCC2Cc3ccccc3CCN2C1,[*]N1CCN([*])C1=O,0.488285,False
7210,CC1CCCN(CCN2CCN(c3cc(F)cc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.70670056,False
7211,CCCCN(C)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.587624,False
7212,CCCN(C)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.630261,False
7213,CCCN(CCc1cccs1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8277402,False
7214,CCCc1cccc2c1OCC(N(CCC)C(O)c1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.57043505,False
7215,CCOc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41287568,False
7216,COCC1Cc2cccc(N3CCN(c4cccc(Cl)c4)C3=O)c2C1,[*]N1CCN([*])C1=O,0.56310093,False
7217,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(O[N+](=O)[O-])c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.31983063,False
7218,COc1c(C(=O)NCCN2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.18090698,False
7219,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccccc3C)ccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49878222,False
7220,COc1cccc(CN2CCc3ccc(N4CCN(c5ccccc5C#N)C4=O)cc32)c1,[*]N1CCN([*])C1=O,0.3494402,False
7221,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C(C)=O)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95275116,False
7222,Cc1cccc(N2CCN(CCN3CCCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.45689544,False
7223,O=C(NCC=CCN1CCN(c2c[nH]cc2-c2ccc(F)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5781742,False
7224,O=C(NCC=CCN1CCN(c2cc(Cl)c3ccccc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4778146,False
7225,O=C(NCC=CCN1CCN(c2ccc3c(c2)-c2ccccc2C3)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4927221,False
7226,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cccc(O)c2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86928344,False
7227,O=C(NCC=CCN1CCN(c2ccccc2C2CNCc3ccccc32)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82435906,False
7228,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1[nH]ccc1-c1ccc(Br)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86093426,False
7229,O=C1N(CCN2CCC3CCc4ccccc4CC2CC3)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.6176701,False
7230,O=C1N(CCN2CCCC(Cc3ccccc3)C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.69427866,False
7231,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc2ccccc2o1,[*]N1CCN([*])C1=O,0.8320114,False
7232,O=C1N(c2ccccc2)CCN1C1CCc2ccccc2CCN2CCC2C1,[*]N1CCN([*])C1=O,0.4033116,False
7233,C=Cc1ccccc1-c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.44518206,False
7234,CC1(C)CC2CC2(C)CN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.65085244,False
7235,CCC(C)CN(CC)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5363161,False
7236,CCCCN(O)C1COc2c(cccc2-c2ccc(-c3ccccc3)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5243209,False
7237,CCCN(CCC)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.68777496,False
7238,CN(C)c1ccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41337305,False
7239,CN1Cc2ccccc2C(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.7453372,False
7240,COCC1C2CCCC1CC(N1CCN(c3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.3298034,False
7241,COc1c(C(=O)NCCN2CCN(C(=O)Oc3ccc([N+](=O)[O-])cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.25568527,False
7242,COc1cc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.914345,False
7243,COc1cc2cc(O)ccc2cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.573604,False
7244,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)nc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43597978,False
7245,COc1ccc2oc(C(=O)NCC=CCN3CCN(c4ccc(Cl)c(Cl)c4Cl)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5431924,False
7246,COc1ccc2oc(C(=O)NCC=CCN3CCN(c4ccc(Cl)cc4)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42242384,False
7247,COc1cccc(N2CCN(CCN3CCc4sccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6898299,False
7248,COc1cccc2c(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)ccnc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.633572,False
7249,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(F)c2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73762286,False
7250,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(O)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90970206,False
7251,Cc1ccccc1[N+](=O)c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36720973,False
7252,O=C(NCC=CCN1CCN(c2cc(CCF)ccc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5603474,False
7253,O=C1N(CC#Cc2ccsc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.45269957,False
7254,O=C1N(CCN2CC3CCC(C2)C(Cc2ccccc2)OC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6612,False
7255,O=C1N(CCN2CCCC3Cc4ccccc4CC(C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7152665,False
7256,O=C1N(CCN2CCc3ccsc3CC2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.4373432,False
7257,O=C1N(CCN2Cc3ccccc3C2)CCN1CNCc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6718084,False
7258,O=C1N(CCNCc2cccc(Cl)c2)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.53181344,False
7259,CC(=O)Nc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56271636,False
7260,CC(C)N1CCCCC1N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.22358304,False
7261,CC(CN1CCN(c2cccnc2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.29265702,False
7262,CCCN(CCC)C1COc2c(cccc2-n2cc(C(F)(F)F)ccc2=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.58724344,False
7263,CCCc1cccc2c1OCC(N(CC)CC(C)(C)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.58263236,False
7264,CCOc1c(CCCl)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23943934,False
7265,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2cnc3ccccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3465994,False
7266,COCC1C2CCCC1N(CCN1CCN(Cc3cccc(C(F)(F)F)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.4245008,False
7267,COc1ccc(C)c(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91168314,False
7268,COc1ccc(O)c(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8970326,False
7269,COc1cccc(CN2CCCCC2N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.44081545,False
7270,COc1cccc2c1-c1c(cccc1C(=O)NCC=CCN1CCN(c3cccc(Cl)c3Cl)CC1)C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88300395,False
7271,COc1ccccc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44900987,False
7272,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(S)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43643543,False
7273,COc1ccccc1N1CCN(CC=CCNC(=O)CNC(=O)c2ccc(Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8055347,False
7274,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Cl)ccc2-c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89047605,False
7275,Cc1ccc(N2CCN(C3CCCCCN3)C2=O)cc1C,[*]N1CCN([*])C1=O,0.1753911,False
7276,Cc1ccc(N2CCN(CCN3CCN(Cc4cccc(Cl)c4)CC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.6655311,False
7277,N#Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.8946481,False
7278,N#Cc1cccc(N2CCN(C3CCC(OCc4ccccc4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.3512627,False
7279,O=C(NCC=CCN1CCN(c2c[nH]c(CF)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42534155,False
7280,O=C(NCC=CCN1CCN(c2cc(O)nc3ccccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63268226,False
7281,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(O)cc3)cc2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4311204,False
7282,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5773503,False
7283,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2sccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92432827,False
7284,O=C1N(CCC2(O)CCCc3ccccc32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.44518492,False
7285,O=C1N(CCN2Cc3ccccc3C2)CCN1[N+]1C=COCC1,[*]N1CCN([*])C1=O,0.5289591,False
7286,O=C1N(Cc2ccccc2)CCN1CC1CCCNCC1,[*]N1CCN([*])C1=O,0.47326234,False
7287,CC12CCCC(CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1)C(C)(C)C2,[*]N1CCN([*])C1=O,0.8280954,False
7288,CCCCCN(C(=O)c1ccoc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.29341066,False
7289,CCCCN(CC)C1COc2c(cccc2C(=O)c2coc(-c3ccccc3)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4039713,False
7290,CCCN(CC(C)C)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.67493457,False
7291,CCCN(CCC)C1COc2c(cccc2C(O)c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.73315966,False
7292,CCCN(CCC)C1COc2c(cccc2OCc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8252663,False
7293,CCCN(Cc1ccsc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6970898,False
7294,CCN1CCCC1CNC(=O)c1c(C)ccc(Br)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7344797,False
7295,CCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14799885,False
7296,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1cccs1,[*]N1CCN([*])C1=O,0.7974742,False
7297,CN(Cc1ccsc1)CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.369211,False
7298,COc1c(C(=O)NCCN2CCN(c3c(C)cccc3N)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8521787,False
7299,COc1cc(-c2ccccc2)cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9373476,False
7300,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)s2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8471066,False
7301,COc1cccc(-c2cccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8985024,False
7302,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(-c4cccc(O)n4)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40711898,False
7303,COc1cccc(N2CCN(c3ccccc3CC34CCC(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.3628511,False
7304,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3ccc(O)cc3n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9227783,False
7305,Cc1ccc(C)c(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cn2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.29948413,False
7306,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)OCCCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85594463,False
7307,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48330164,False
7308,O=C1N(CCN2CC3CCCC(CC3)C2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.63463056,False
7309,O=C1N(CCN2CCC(OCc3ccccc3)CC2)CCN1c1ccc(F)c(F)c1Cl,[*]N1CCN([*])C1=O,0.7410897,False
7310,O=C1N(CCNCC2CCC3CCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5206864,False
7311,O=C1N(CCOc2ccccc2Cl)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.38230324,False
7312,O=C1N(CN2CCCC(c3ccccc3)C2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.57888156,False
7313,CC(=O)Oc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7436289,False
7314,CC(=O)c1ccccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5604014,False
7315,CCCCN(CC)C1COc2c(cccc2-c2ccc(CO)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.50648665,False
7316,CCCc1cccc2c1OCC(N(CCC)C(=O)Cc1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.47894874,False
7317,CCN(CC)CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.8045083,False
7318,CCc1cccc2c1OCC(N(CC(C)C)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.44738513,False
7319,CN(CCN1CCN(c2ccccc2)C1=O)Cc1csc2ccccc12,[*]N1CCN([*])C1=O,0.56273973,False
7320,CN1CCNCC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.73129743,False
7321,COCC1CCN(Cc2cccc(N3CCN(c4cccc(Cl)c4)C3=O)c2)C1,[*]N1CCN([*])C1=O,0.64345956,False
7322,COCC1Cc2ccccc2C1N1CCN(c2ccc(C(C)C)cc2)C1=O,[*]N1CCN([*])C1=O,0.36279848,False
7323,COc1ccc(OCCF)cc1C(=O)NCC=CCN1CCN(c2ccc(Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43470383,False
7324,COc1ccc2c(c1)CN(CCN1CCN(c3cccs3)C1=O)CC2,[*]N1CCN([*])C1=O,0.54332477,False
7325,COc1cccc(C2CCCCN(CN3CCN(c4cccc(Cl)c4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.5774855,False
7326,COc1ccccc1C(=O)c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7591696,False
7327,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(-c3ncccc3C)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8881752,False
7328,Cc1ccc(C(=O)CN2CCN(CCCN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.43381825,False
7329,Cc1cccc(CN2CCN(c3cccc(C)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.37778896,False
7330,Cc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40601492,False
7331,N#Cc1cccc(N2CCN(CC3CCOOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.3963276,False
7332,Nc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75285983,False
7333,O=C(NCC=CCN1CCN([N+]([O-])c2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.26649606,False
7334,O=C(NCC=CCN1CCN(c2c(O)cccc2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41055956,False
7335,O=C(NCC=CCN1CCN(c2c[nH]c(-c3ccccc3O)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.442887,False
7336,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(O)c3)[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4578758,False
7337,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NC(=O)c1ccc(-c2cccc(O)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92279375,False
7338,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cc(OCF)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9110106,False
7339,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1C=CC=C(F)c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8183858,False
7340,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cccnc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.896525,False
7341,O=C1N(CCc2ccc3c(c2)CNCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5702077,False
7342,O=C1N(CCc2cccc(Cl)c2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.44887558,False
7343,CC1c2ccccc2CN1CCN1CCN(Cc2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.5526876,False
7344,CCCCN(CC)C1COc2c(cccc2-c2ccc(CC(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5819884,False
7345,CCCCN(c1ccc(F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5203444,False
7346,CCCN(Cc1cccs1)C1COc2c(cccc2C(=O)OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.36747977,False
7347,CCN1CCCC1CNC(=O)c1c(C)ccc(SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.824509,False
7348,CCN1CCOCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.41962165,False
7349,CCOc1ccc(Br)cc1N1CCN(CC=CCNC(=O)c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5078965,False
7350,CCc1ccc(OC)c(C(=O)NCC2CCCN2F)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24018842,False
7351,CNc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60256475,False
7352,COc1c(C(=O)NCCN2CCN(Sc3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.45274752,False
7353,COc1ccc(Br)cc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.77983797,False
7354,COc1ccc(OC)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89684767,False
7355,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68443906,False
7356,COc1ccccc1C(=O)NCC=CCN1CCN(c2[nH]c(O)cc2-c2ccc(Br)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31783602,False
7357,COc1ccccc1N1CCN(CC=CCNC(=O)C(F)CF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7922012,False
7358,Cc1ccc(Cl)cc1N1CCN(CC=CCNC(=O)c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42591295,False
7359,Cc1ccc(N2CCN(CCN3CCN(C)CC3)C2=O)s1,[*]N1CCN([*])C1=O,0.6767124,False
7360,Cc1nc2cc(N3CCN(c4ccn(C(C)C)c4)C3=O)ccc2s1,[*]N1CCN([*])C1=O,0.16471902,False
7361,Nc1cccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64584064,False
7362,O=C(NCC=CCN1CCN(c2ccc(Oc3ccccn3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50581557,False
7363,O=C(NCC=CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(OCCF)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41564086,False
7364,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccnc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8462713,False
7365,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2cc(F)ccc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8571336,False
7366,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1coc2cccc(OCCF)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7812716,False
7367,O=C(NCC=CCN1CCN(c2ccccc2-c2cccc(O)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79333025,False
7368,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(Cl)c(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.91952026,False
7369,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.91485643,False
7370,O=C1N(CCNCc2cccc(Cl)c2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.22959837,False
7371,O=C1N(Cc2cccc3c2CNCC3)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.4410299,False
7372,CC(C)N1CCN(c2ccccc2CC2CCCCC2)C1=O,[*]N1CCN([*])C1=O,0.24680309,False
7373,CC(C)c1ccccc1N1CCN(C2COOC2)C1=O,[*]N1CCN([*])C1=O,0.16294634,False
7374,CC1Cc2ccccc2N1CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5423243,False
7375,CCCCN(CC)C1COc2c(cccc2C(=O)c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37833643,False
7376,CCCN(CCC(=O)N1c2ccccc2CC1C)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45559382,False
7377,CCCN(CCC)C1COc2c(Cc3ccc(C(F)(F)F)cc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.79070634,False
7378,CCN1CCN(CCN2CCN(c3cccc(Cl)c3)CC2)C1=O,[*]N1CCN([*])C1=O,0.80969584,False
7379,CCN1Cc2ccsc2CCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5293379,False
7380,CN(CN1CCN(c2ccc(Cl)c(F)c2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.5364222,False
7381,CN(Cc1ccc2sccc2c1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.41860136,False
7382,COCN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(C)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.27436295,False
7383,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2c[nH]cc2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39146015,False
7384,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C=Cc2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4593883,False
7385,COc1c(C(=O)NCCN2CCN(CO)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4489928,False
7386,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2cccc(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42502585,False
7387,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)ccc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4144929,False
7388,COc1cccc(C)c1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.864757,False
7389,COc1cccc(N2CCN(CC=CCNC(=O)c3ccc(OCCF)cc3)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3888363,False
7390,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccnc3ccc(O)cc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84201694,False
7391,Cc1ccc(CN2CCN(CCN3CCCCCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.4934973,False
7392,Cc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7134885,False
7393,Cc1csc(N2CCN(CCN3CCCc4sccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.5678039,False
7394,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NS(=O)(=O)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8336515,False
7395,O=C1N(CCN2CCCC3CCC32Cc2ccccc2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.54258645,False
7396,O=C1N(CCN2CCc3ccccc3C2)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.62345326,False
7397,O=C1N(CCN2COc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.810921,False
7398,O=C1N(CCN2c3ccccc3CC3CCC2CC3)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.58048075,False
7399,O=C1N(c2cccc(Cl)c2)CCN1c1ccc2c(c1)-c1ccccc1C2,[*]N1CCN([*])C1=O,0.38783637,False
7400,CC(C)Oc1cccc(N2CCN(CC(F)(F)F)C2=O)c1,[*]N1CCN([*])C1=O,0.31297976,False
7401,CCCN(CO)C1COc2c(cccc2C2CCCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5816433,False
7402,CCCc1cccc2c1OCC(N(CC)Cc1cccc(C(C)O)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5502784,False
7403,CCN(CC)CCN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.580105,False
7404,CCOc1ccc(SC)c(C(=O)NCC2CCCN2C)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23334935,False
7405,CCn1cccc1N1CCN(CCN2CCN(C(C)C)CC2)C1=O,[*]N1CCN([*])C1=O,0.7065505,False
7406,CN1CCN(CCN2CCN(c3cccc(Cl)c3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.7921965,False
7407,COC1c2ccccc2CC1CN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.5784904,False
7408,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)C2=Cc3cccccoc(c3)C=C2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60663736,False
7409,COc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3O)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7902128,False
7410,COc1cccc(N2CCN(CC3CCCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.53036743,False
7411,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccccc3)cc(C)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32904762,False
7412,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccs2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41201383,False
7413,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3C)c(O)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79986763,False
7414,Cc1ccc(-c2cccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8138413,False
7415,O=C(NCC=CCN1CCN(c2cc3cc(O)ccc3s2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3988009,False
7416,O=C(NCC=CCN1CCN(c2ccc(CCF)cc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49690711,False
7417,O=C(NCC=CCN1CCN(c2ccc(Oc3ccccc3)nc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41909245,False
7418,O=C1N(CC2CCc3ccccc3C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.57369345,False
7419,O=C1N(CC2CCc3ccccc3O2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.5745188,False
7420,O=C1N(CC2Cc3ccccc3CC3CCN(C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.57409036,False
7421,O=C1N(CC2c3ccccc3CN2CCCl)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.57542396,False
7422,O=C1N(CCN2CC3CCCC2Cc2ccccc23)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5412008,False
7423,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.7784468,False
7424,O=C1N(CCN2CCN(c3cccc(Cl)c3)C2=O)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.770715,False
7425,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cscn1,[*]N1CCN([*])C1=O,0.7991916,False
7426,O=C1N(CCc2cccc(Cl)c2)CCN1Cc1cccs1,[*]N1CCN([*])C1=O,0.3642503,False
7427,O=C1N(c2cccc(F)c2)CCN1C1NCC2CCC1Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.47059456,False
7428,O=C1N(c2ccccc2)CCN1C1NCC2CCC1Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.39729106,False
7429,O=C1N(c2ccccc2)CCN1c1ccc2c(c1)Cc1ccccc1-2,[*]N1CCN([*])C1=O,0.3380182,False
7430,CC(CCN1CCN(c2ccccc2)C1=O)c1cccs1,[*]N1CCN([*])C1=O,0.4304704,False
7431,CC1CCCC(CN2CCN(c3ccc(F)cc3)C2=O)N1,[*]N1CCN([*])C1=O,0.36334428,False
7432,CCCN(C(C)C)C1COc2c(cccc2-c2ccccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49050775,False
7433,CCCN(CC(O)c1ccc(OC)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45844233,False
7434,CCCN1CC2CCc3ccccc3CC1CN2CCN1CCN(c2cccs2)C1=O,[*]N1CCN([*])C1=O,0.3557397,False
7435,CCCc1cccc2c1OCC(N(CO)Cc1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5621509,False
7436,CCN1CCCC1CNC(=O)c1c(OC)ccc(CO)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.94528246,False
7437,CCOc1c(SC)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.685948,False
7438,CN(C)CCN1CCN(C2COCO2)C1=O,[*]N1CCN([*])C1=O,0.34019396,False
7439,CNc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38174418,False
7440,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(C(F)(F)F)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38288957,False
7441,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2Cc2cccc([O-])c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.36969978,False
7442,COc1c(C(=O)NCCN2CCN(c3cccc(C)c3Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.9123208,False
7443,COc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4372243,False
7444,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccccc3)n[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4521068,False
7445,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c3ccc(O)cc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9347203,False
7446,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc([N+](=O)[O-])ccc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8222236,False
7447,Cc1cc(CN(C)CCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)cs1,[*]N1CCN([*])C1=O,0.524088,False
7448,Cc1ccc(CNC(=O)N2CCN(c3ccc(F)cc3)C2=O)s1,[*]N1CCN([*])C1=O,0.0692384,False
7449,O=C(NCC=CCN1CCN(c2ccc(Cl)cn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4498184,False
7450,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cccc(Br)c2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87312365,False
7451,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc([O-])c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8955741,False
7452,O=C(NCC=CCN1CCN(c2ncccc2O)CC1)c1cccc([N+](=O)[O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30043456,False
7453,O=C1CCc2ccc(N3CCN(Cc4ccc5c(c4)COCC5)C3=O)cc2N1,[*]N1CCN([*])C1=O,0.30725813,False
7454,O=C1N(CCN2CCCC(c3ccccc3)C2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.67298174,False
7455,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.63836163,False
7456,O=C1N(c2cccc(C(F)(F)F)c2)CCN1C1CNCC2CCC(C1)C2Cc1ccccc1,[*]N1CCN([*])C1=O,0.4914824,False
7457,O=C1N(c2cccc(Cl)c2)CCN1C1NCCCC1c1ccccc1,[*]N1CCN([*])C1=O,0.46738058,False
7458,CC(C)Oc1ccccc1N1CCN(C2CCCCC2)C1=O,[*]N1CCN([*])C1=O,0.19914629,False
7459,CC1CCc2ccc(N3CCN(c4ccc5ccccc5c4)C3=O)cc2OC1,[*]N1CCN([*])C1=O,0.4263575,False
7460,CCC1c2ccccc2CN1CN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.42124426,False
7461,CCCCN(Oc1ccc(C(F)(F)F)cc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5378912,False
7462,CCCOc1c(C)ccc(C)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17916279,False
7463,CCCc1cccc2c1OCC(N(CC)Cc1cc(C)co1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4874837,False
7464,CCCc1cccc2c1OCC(N(CO)c1ccc(F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.560545,False
7465,CN(C)Cc1cccc(CN2CCN(c3csc4ccccc34)C2=O)c1,[*]N1CCN([*])C1=O,0.34862489,False
7466,CN(CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O)Cc1cc2ccccccc1-2,[*]N1CCN([*])C1=O,0.5533239,False
7467,CN1C2CC(CN3CCN(c4cccc(Cl)c4)C3=O)CC1C(C)(C)C2,[*]N1CCN([*])C1=O,0.7023056,False
7468,COC1=CC=CC(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83019674,False
7469,COc1cccc(C(=O)NCC=CCN2CCN(NCc3ccccc3)CC2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.1557706,False
7470,COc1ccccc1C(=O)NCC=CCN1CCN(C2CCc3c(O)cccc3O2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3366869,False
7471,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3ccc(OCCF)cc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43371603,False
7472,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cc[nH]n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43701828,False
7473,O=C(NCC=CCN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccc(O)c(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5266925,False
7474,O=C(NCC=CCN1CCN(c2cc([N+](=O)[O-])c[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36998057,False
7475,O=C(NCC=CCN1CCN(c2ccc(-c3c[nH]c4ccccc34)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42662188,False
7476,O=C(NCC=CCN1CCN(c2ccc(CCO)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4518378,False
7477,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccc(-n2ccnc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5156432,False
7478,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ncccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92240345,False
7479,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(C(F)(F)F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8461847,False
7480,O=C1N(CC2Cc3ccccc3NC2CF)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6561347,False
7481,O=C1N(CC2NCCO2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.55296826,False
7482,O=C1N(CN2CCCCC2Cc2ccccc2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.21913806,False
7483,O=C1N(Cc2cc3ccccc3s2)CCN1CC1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.48111704,False
7484,O=C1N(Cc2cccc(Cl)c2)CCN1CC1CCCN(CCc2ccccc2)CC1,[*]N1CCN([*])C1=O,0.68089616,False
7485,CC(C)(C)N1CCN(CCN2CCN(c3ccc(F)c(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.78463584,False
7486,CC(c1ccccc1)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78171223,False
7487,CC1CCCN(CCN2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7579487,False
7488,CC1CCN(CCN2CCN(Cc3ccc(Cl)cc3)C2=O)Cc2sccc21,[*]N1CCN([*])C1=O,0.6131576,False
7489,CCCCN(CCC)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7748629,False
7490,CCCc1cccc2c1OCC(N(CCC)C(=O)c1ccc(-c3ccccc3)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.33194435,False
7491,COc1ccc(-c2cccs2)cc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9525975,False
7492,COc1cccc2cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)[nH]c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3555644,False
7493,COc1ccccc1-c1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8726972,False
7494,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4468962,False
7495,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2Cc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8577761,False
7496,C[N+]1CCCC(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.5416458,False
7497,Cc1ccc(N)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86500525,False
7498,Cc1cccc(CN2CCN(CC(C)c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.192034,False
7499,Cc1ccccc1N1CCN(CCN(C)CC23CCC(CC2)C3(C)C)C1=O,[*]N1CCN([*])C1=O,0.5968389,False
7500,N#Cc1cccc(CNCN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.45689926,False
7501,NC(CN1CCN(CC2CCCCN2)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.41338244,False
7502,O=C(CN1CCN(c2cccc(Cl)c2F)C1=O)N1CCc2ccccc21,[*]N1CCN([*])C1=O,0.18624821,False
7503,O=C(NCC=CCN1CCN(c2[nH]cc3ccc(OCCF)cc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38003647,False
7504,O=C(NCC=CCN1CCN(c2cccc(-c3ncco3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4965606,False
7505,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46728632,False
7506,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8861259,False
7507,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9598872,False
7508,O=C1N(CCN2CCCCC2C(F)(F)F)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.47304633,False
7509,O=C1N(CCN2Cc3ccccc3CC3(CCCCC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.80826133,False
7510,O=C1N(Cc2nc3ccccc3s2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.31213504,False
7511,O=C1N(c2cccc(Cl)c2)CCN1C1NCC2CCCc3ccccc3CC1CC2,[*]N1CCN([*])C1=O,0.6076557,False
7512,O=C1N(c2cccc(Cl)c2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.28310615,False
7513,O=C1N(c2cccc(OC(F)(F)F)c2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.26573217,False
7514,C=CCCN1CCCC1CNC(=O)c1c(OC)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.50644547,False
7515,CC(C)(C)OC(=O)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.56822664,False
7516,CC1CC2(CNCCN3CCN(c4cccc(C#N)c4)C3=O)CCC(CC2)C1C,[*]N1CCN([*])C1=O,0.5280694,False
7517,CCCCC1CN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC2CC1C2,[*]N1CCN([*])C1=O,0.74130577,False
7518,CCCN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.6048816,False
7519,CCCc1cccc2c1OCC(N(CC)Cc1ccn(C)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.60782087,False
7520,CCCc1cccc2c1OCC(N(CCC)C(=O)c1cccc(OC)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.32956475,False
7521,CCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.64481854,False
7522,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccc3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6882721,False
7523,COc1cc(Br)cc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46397397,False
7524,COc1ccc(C)c(OC)c1C(=O)NCC1CCCN1CC1CCCC1,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.4357839,False
7525,COc1ccc(Cl)cc1N1CCN(CC=CCNC(=O)c2cccc(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55289084,False
7526,COc1cccc(C(=O)NCC=CCN2CCN(c3cc4cccc(OC)c4[nH]3)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3765537,False
7527,COc1cccc(C(=O)NCC=CCN2CCN(c3cc4ccccc4[nH]3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46527398,False
7528,COc1ccccc1CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.77829504,False
7529,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2N)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9365403,False
7530,Cc1cccc(N2CCN(C(F)(F)F)C2=O)c1,[*]N1CCN([*])C1=O,0.18428993,False
7531,Cc1cccc(N2CCN(CCOC3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.56566054,False
7532,Cc1ccoc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31122798,False
7533,Cc1nc2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2nc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7992632,False
7534,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccco1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46549252,False
7535,O=C(NCC=CCN1CCN(c2ccc3c(c2)C(O)=CC=CC3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4981245,False
7536,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(N2CCOCC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7432565,False
7537,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(F)ccc1Oc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9244694,False
7538,O=C(NCC=CCN1CCN(c2cnc3cc(O)ccc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42222038,False
7539,O=C(NCC=CCN1CCN(c2cncc(OCCF)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4788871,False
7540,O=C(NCC=CCN1CCN(c2nc(O)ccc2-c2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36000028,False
7541,O=C1N(CC2CCCCN2c2cccc(Cl)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6136971,False
7542,O=C1N(c2ccc3c(n2)CCCCC3)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.24057417,False
7543,C#CC12CCC(CN(C)CCN3CCN(c4cccc(Cl)c4)C3=O)CCC1C2,[*]N1CCN([*])C1=O,0.6878455,False
7544,CC(C)NCCN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.76494247,False
7545,CC1C2CC(CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C2)CC1(C)C,[*]N1CCN([*])C1=O,0.74922943,False
7546,CC1CCCCCN1CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.54454124,False
7547,CCCCN(CC)C1COc2c(cccc2C(F)(F)c2cccc(F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52660173,False
7548,CCCN(C=Cc1ccsc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57595944,False
7549,CCc1ccc([N+](=O)[O-])c(OO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15910766,False
7550,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)C1CCC2CC2CC1,[*]N1CCN([*])C1=O,0.79477143,False
7551,COCCN1CCN(Cc2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.42093426,False
7552,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C(F)(F)c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.43816528,False
7553,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2Cc2cccc(C)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33760843,False
7554,COc1ccc2c(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)coc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81851816,False
7555,COc1ccccc1C(=O)NCC=CCN1CCN(C2c3ccccc3-c3ccccc32)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.29654264,False
7556,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(C)ccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5252309,False
7557,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cccc(C)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33898804,False
7558,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccon3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9232898,False
7559,Cc1c(CN2CCN(c3ccccc3)C2=O)sc2ccccc12,[*]N1CCN([*])C1=O,0.2933908,False
7560,Cc1cc(CN2CCN(c3ccc(F)cc3)C2=O)on1,[*]N1CCN([*])C1=O,0.19144367,False
7561,Cc1cccc2c1CCN2C(=O)CN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.12800291,False
7562,Cc1ccccc1C(=O)NCC=CCN1CCN(c2cc(Cl)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3553387,False
7563,N#CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4637415,False
7564,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1c[nH]c2c(O)cccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60224664,False
7565,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)OCC=Cc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8062169,False
7566,O=C1N(CC2CCCCNC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6296874,False
7567,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.8554002,False
7568,O=C1N(CCN2CCCC3CCCC2C3)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.4811635,False
7569,O=C1N(c2ccccc2Cl)CCN1C1CCCCCN1,[*]N1CCN([*])C1=O,0.17131034,False
7570,CC(O)CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.73862815,False
7571,CC1(C)Cc2ccccc2C1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4355673,False
7572,CCCCN1CCCC1CNC(=O)c1c(CCCl)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5244613,False
7573,CCCN(C(C)C)C1COc2c(cccc2-c2ccc(C)c(O)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42695776,False
7574,CCCN(CCC)C1COc2c(cccc2-c2ccc3[nH]ccc3c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.72117615,False
7575,CCCc1cccc2c1OCC(N(CC)CC#Cc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5133055,False
7576,CCN1CCCC1CNC(=O)c1c(C)ccc(S)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.59026426,False
7577,CCN1CCCC1CNC(=O)c1c(O)ccc(C)c1OCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6069102,False
7578,CCc1ccc(CC)c(C(=O)NCC2CCCN2OC)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20171641,False
7579,CCc1ccc(CO)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9059131,False
7580,CCc1cccc2c1OCC(N(CCc1ccccc1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.51769596,False
7581,CN(CCN1CCN(c2ccccc2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.80175215,False
7582,CN1CCN(Cc2cccc(CN3CCN(c4ccc(F)cc4)C3=O)c2)CC1,[*]N1CCN([*])C1=O,0.6087298,False
7583,COc1ccc(C(=O)NCC=CCN2CCN(c3c(Cl)cccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39980853,False
7584,COc1ccc(C)cc1-c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38645825,False
7585,COc1cccc(N2CCN(CNCc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.27804732,False
7586,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccccc3)c(O)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36912736,False
7587,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9498677,True
7588,O=C(Cc1ccc(-c2ccncc2)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7534478,False
7589,O=C(NCC=CCN1CCN(c2ccc([N+](=O)[O-])cn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33192357,False
7590,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cccc(Cl)c2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8322176,False
7591,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccnc(O)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8691771,False
7592,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2ccccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9037182,False
7593,O=C(NN1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1)c1ccc(-c2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.24725108,False
7594,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.8130532,False
7595,O=C1N(CCN2CCCC(C(F)(F)F)CC2)CCN1c1c(F)cccc1Cl,[*]N1CCN([*])C1=O,0.8236322,False
7596,O=C1N(CCc2ccc(Cl)cc2)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.3300074,False
7597,O=C1N(c2cccc(Cl)c2)CCN1C1CCN(COC2CCCCC2)CC1,[*]N1CCN([*])C1=O,0.569461,False
7598,CC(CCN1CCN(c2cccs2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.4690107,False
7599,CC1Cc2ccccc2N1C(C)CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.44200078,False
7600,CCCN(Cc1ccc(C(F)(F)F)s1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5482654,False
7601,CCCN(Cc1ccc(F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7290447,False
7602,CCCOc1c(O)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.746955,False
7603,CCCc1cccc2c1OCC(N(CCC)C(=O)c1cc(C)co1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3753236,False
7604,CCCc1cccc2c1OCC(N(CCC)C(=O)c1cc[nH]c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.343052,False
7605,CCN(CC)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5909501,False
7606,CCOc1ccc(OC)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24486853,False
7607,CN(CCN1CCN(c2cc(Cl)ccc2Cl)C1=O)Cc1cccs1,[*]N1CCN([*])C1=O,0.5683659,False
7608,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC12CCC(CC1)CC2(C)C,[*]N1CCN([*])C1=O,0.8530197,False
7609,COC(C)C1c2ccccc2CN1CCN1CCN(Cc2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.5422539,False
7610,COC1CC(CN2CCN(c3cccc(Cl)c3)C2=O)Cc2ccccc21,[*]N1CCN([*])C1=O,0.60319364,False
7611,COc1cc(F)cc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44862428,False
7612,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)ccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45575917,False
7613,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccc(F)cc3)cs2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9233906,False
7614,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(-c3ccccc3C)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7936836,False
7615,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(-c3cccnc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9099658,False
7616,Cc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccc(C(=O)NCc3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5924608,False
7617,Cc1cccc(N2CCN(CC=CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.790789,False
7618,O=C(CN1CCN(c2ccc(Cl)c(F)c2)C1=O)NCc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.08745665,False
7619,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccc(F)c1,[*]N1CCN([*])C1=O,0.1254416,False
7620,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(C(=O)NCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9749019,False
7621,O=C(NCC=CCN1CCN(c2cccc(F)c2)CC1)c1cccc(F)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5097606,False
7622,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1cccc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45547098,False
7623,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(C=Cc2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7808813,False
7624,O=C1N(CC2CCCNC2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.44010997,False
7625,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1Cc1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.71209246,False
7626,O=C1N(CCN2CCC(c3cccc(Cl)c3)CC2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.81258875,False
7627,O=C1N(CCN2Cc3ccccc3C2)CCN1C1COCO1,[*]N1CCN([*])C1=O,0.7446319,False
7628,O=C1N(Cc2ccc3c(c2)CCNC3c2ccccc2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.43170592,False
7629,CC1(C)C2CCC1(CNCCN1CCN(Cc3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.39124185,False
7630,CC1Cc2ccccc2N1C(=O)CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.33587655,False
7631,CCN(CO)C1COc2c(CC(C)C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52001554,False
7632,CCN1CCN(CCN2CCN(c3ccsc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.62731147,False
7633,CCc1cccc2c1OCC(N(Cc1ccncc1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4132592,False
7634,CN(CCN1CCN(c2cccc(C#N)c2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.6744497,False
7635,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1ccccc1,[*]N1CCN([*])C1=O,0.7827187,False
7636,CN1CCCC(CN2CCN(c3ccc(F)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.4970032,False
7637,COCc1cccc(CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.45075935,False
7638,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cc(Cl)ccc4Cl)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48864782,False
7639,COc1ccc2cc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38927364,False
7640,COc1cccc(C)c1-c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35825285,False
7641,Cc1ccc(OCCF)c(C(=O)NCC=CCN2CCN(c3c(Cl)cccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35613456,False
7642,O=C(NCC=CCN1CCN(c2ccc(-c3c[nH]cn3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45906278,False
7643,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NCC1c2ccccc2-c2ccccc21,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83303946,False
7644,O=C(NCC=CCN1CCN(c2ccccc2)CC1)NC(=O)c1c[nH]c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4511631,False
7645,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1[nH]ccc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7520408,False
7646,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc(Br)c2ccccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80730265,False
7647,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(OCc2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94657385,False
7648,O=C(NCc1ccc(F)c(F)c1)N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.15080822,False
7649,O=C1CC(CN2CCN(CCN3Cc4ccccc4C3)C2=O)CO1,[*]N1CCN([*])C1=O,0.8273405,False
7650,O=C1N(CCN2CC3CCC(Cc4ccccc4C3)C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.6469179,False
7651,O=C1N(CCN2CC3CCC2Cc2ccccc2C3)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.6857938,False
7652,O=C1N(CCN2CCCc3ccccc32)CCN1CC1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.38646,False
7653,O=C1N(CCN2CCCc3sccc3C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.6752011,False
7654,O=C1N(CCN2CCc3ccsc3CC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.6257444,False
7655,O=C1N(Cc2cccc(Cl)c2)CCN1C1CCc2ncccc2C1,[*]N1CCN([*])C1=O,0.37994924,False
7656,CC(C)(C)N1CCc2ccc(N3CCN(c4cccc(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.41294762,False
7657,CC(C)N1CCN(CCN2CCN(c3ccc(OC(F)(F)F)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.72943,False
7658,CC1Cc2ccccc2C(N2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.39716053,False
7659,CCCCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14877795,False
7660,CCCN(CC(=O)c1cccc(OC)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3888101,False
7661,CCOc1c(C)ccc(C)c1C(=O)NCC1CCCN1SC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1828983,False
7662,COCCN1CCN(Cc2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.33346733,False
7663,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(Cl)cc2[N+](=O)[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.40498206,False
7664,COc1ccc(-c2ccccc2)n1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.24623041,False
7665,COc1cccc(CCN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.47667307,False
7666,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5034836,False
7667,COc1ncccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65910214,False
7668,Cc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3858662,False
7669,Cc1ccc(CNC(=O)CN2CCN(c3cccc(Cl)c3)C2=O)cc1C,[*]N1CCN([*])C1=O,0.10594616,False
7670,Cc1ccc(N2CCN(Cc3cccc(Cl)c3)C2=O)s1,[*]N1CCN([*])C1=O,0.3412606,False
7671,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc(F)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40362182,False
7672,N#Cc1cc2ccccc2cc1CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.38552916,False
7673,N#Cc1cccc(CN2CCN(CN3CCN(CC(F)(F)F)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.61530906,False
7674,Nc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93681496,True
7675,O=C(CN1CCN(c2ccccc2)C1=O)NCc1cccc(F)c1,[*]N1CCN([*])C1=O,0.07507618,False
7676,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ncccc2O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9072432,False
7677,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccnc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8704993,False
7678,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1nc2ccccc2nc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9178594,False
7679,O=C1N(CC2CCCCN2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.50195,False
7680,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.94706565,False
7681,O=C1N(CCN2CCc3ccccc32)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.4368795,False
7682,O=C1N(CCN2Cc3ccccc3C2)CCN1COCc1ccccc1Cl,[*]N1CCN([*])C1=O,0.6923398,False
7683,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.88153934,True
7684,CC(=O)OCC1CCCN(CCN2CCN(c3cccc(C(F)(F)F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.4861351,False
7685,CC(C)NCN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.72318137,False
7686,CCCCN(C1CC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5442214,False
7687,CCCCN(c1cc(C(F)(F)F)c[nH]1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43633077,False
7688,CCCN(CCC)C1COc2c(cccc2-c2cocc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7693401,False
7689,CCCN(CCCN1CC(=O)C=C(C)C1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6031076,False
7690,CCN1CCCCCC1CN1CCN(c2cccs2)C1=O,[*]N1CCN([*])C1=O,0.266826,False
7691,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1cccc(C#N)c1,[*]N1CCN([*])C1=O,0.7905349,False
7692,CN1CC2CCCC(c3ccccc31)C(N1CCN(c3cccc(Cl)c3)C1=O)NC2,[*]N1CCN([*])C1=O,0.3964481,False
7693,CN1c2ccccc2CC2CCC1CC2N1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.43669248,False
7694,COC(F)(F)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8637089,False
7695,COCC1C2CCCCCC1N2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.66571265,False
7696,COc1ccc(-c2c[nH]c(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92232347,False
7697,COc1cccc(C(=O)N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.24258369,False
7698,COc1cccc(N2CCN(CC=CCNC(=O)c3ccc(F)cc3)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3819383,False
7699,Cc1ccc(Cl)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90400684,False
7700,Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)nc1,[*]N1CCN([*])C1=O,0.83919847,False
7701,Cc1ccc(N2CCN(CCN3Cc4ccccc4C3C)C2=O)cc1,[*]N1CCN([*])C1=O,0.5952653,False
7702,Cc1ccc(ONCCN2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30784357,False
7703,N#Cc1cccc(CN2CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.7714633,False
7704,N#Cc1cccc(N2CCN(CCN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.9248974,False
7705,O=C(NCC=CCN1CCN(c2c[nH]cc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63494295,False
7706,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1cccc(Cl)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56953174,False
7707,O=C(NCC=CCN1CCN(c2cccc3ccc(O)nc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73831224,False
7708,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4591259,False
7709,O=C1N(CCN2CCCCCC2)CCN1Cc1ccncc1,[*]N1CCN([*])C1=O,0.55941725,False
7710,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(F)c(F)cc1Cl,[*]N1CCN([*])C1=O,0.79707277,False
7711,O=C1N(CCNC2CCCCC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.347572,False
7712,CC(C)N(CC1CC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54985404,False
7713,CC(C)N1CCN(C2CCCCN2C)C1=O,[*]N1CCN([*])C1=O,0.26636803,False
7714,CC(C)NCc1cccc(N2CCN(c3cccc(C(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.22252801,False
7715,CC1COCCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6942794,False
7716,CCCCN(C(=O)c1cc[nH]c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.30197284,False
7717,CCCCc1ccc(CO)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7857314,False
7718,CCCN1CCN(c2cccc3c2CCCC3)C1=O,[*]N1CCN([*])C1=O,0.5379059,False
7719,CCN(CCC(C)C)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5028705,False
7720,CCN1CCCC1CNC(=O)c1c(C)ccc(SO)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.82447857,False
7721,CCN1CCCCCC1CN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.46498314,False
7722,CCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16594107,False
7723,CN(C)CCN1CCN(c2cc(Cl)ccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.40041545,False
7724,CN(C)c1ccc(C(=O)NCC=CCN2CCN(c3ccc(OCCF)cc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34905788,False
7725,CN(CCN1CCN(c2ccc(Cl)cc2)C1=O)CC1CCCCC1,[*]N1CCN([*])C1=O,0.5381891,False
7726,CN1c2ccccc2CC12CCCCC2N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4286836,False
7727,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(F)s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41703117,False
7728,COc1ccccc1N1CCN(CC=CCNC(=O)c2cnc3cc(O)ccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89660555,False
7729,Cc1cc(N2CCN(CC(=O)N3CCCCCC3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.074171744,False
7730,Cc1cccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8885107,False
7731,N#Cc1cccc(N2CCN(CCN3CCC(c4ccccc4Cl)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8541634,False
7732,O=C(NCC=CCN1CCN(c2cc(F)ccc2OCCF)CC1)c1cccc(Cl)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6589424,False
7733,O=C(NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2CC3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4432086,False
7734,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7433543,False
7735,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc([N+](=O)[O-])n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6825744,False
7736,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49749446,False
7737,O=C(NCC=CCN1CCN(c2ccncc2-c2ccccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6006139,False
7738,O=C1N(CCN2CCCc3sccc3C2)CCN1c1cccc(CC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.734914,False
7739,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.9133522,False
7740,O=C1N(c2ccc(F)c([O-])c2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.31652388,False
7741,C#CCN(C)CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.6358889,False
7742,CCCCN(C1COc2c(O)cccc2C1)C1CC(=O)CC(=O)C1C,[*]CN([*])C1COc2c([*])cccc2C1,0.34213412,False
7743,CCCN(CCC)C1COc2c(cccc2N2C=C(C(F)(F)F)CCC2=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6741641,False
7744,CCCN(CO)C1COc2c(CC3CCCC(=O)C3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4425656,False
7745,CCCc1cccc2c1OCC(N(CC)Cc1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6134107,False
7746,CCOc1c(C)ccc(CCS)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1528629,False
7747,CN1CCCCC(N2CCN(c3ccc4sccc4c3)C2=O)C1,[*]N1CCN([*])C1=O,0.2796708,False
7748,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(N)c(Cl)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4396877,False
7749,COc1c(C(=O)NCCN2CCN(c3ccccccoc3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.73669845,False
7750,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5009963,False
7751,COc1ccc(-c2cc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cs2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9237445,False
7752,COc1ccc2oc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34722114,False
7753,COc1ccccc1-c1c[nH]c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84673876,False
7754,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3cc(OCCF)ccc3s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38995162,False
7755,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3nc[nH]c3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34746018,False
7756,COc1ccccc1N1CCN(CC=CCNC(=O)C=CCNC(=O)c2cccc(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8313667,False
7757,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccc(Cl)cc3)co2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8689749,False
7758,Cc1ccc(N2CCN(CC3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.5076117,False
7759,O=C(CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O)NCc1ccc(F)cc1,[*]N1CCN([*])C1=O,0.06349485,False
7760,O=C(NCC=CCN1CCN(c2ccc([N+][O-])cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4187011,False
7761,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92265683,False
7762,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccc[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9034063,False
7763,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88197756,False
7764,O=C1N(CCC2C3CCC2N(Cc2ccccc2)C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6928034,False
7765,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.7587092,False
7766,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1c1ccc2c(c1)Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.3680088,False
7767,C#Cc1ccc2c(c1)C(CN1CCN(c3ccccc3)C1=O)NCC2,[*]N1CCN([*])C1=O,0.50589716,False
7768,CC(C)N(C)CN1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.58846164,False
7769,CC(C)c1cccc(CN2CCN(CC3CCNCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.3444691,False
7770,CC1(C)CC2CCC(CNCN3CCN(c4ccccc4Cl)C3=O)(CC2)C1,[*]N1CCN([*])C1=O,0.29444733,False
7771,CCCN(CC1CC(=O)CC(O)C1C)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4659549,False
7772,CCCN(CCC)C1COc2c(cccc2C(=O)c2cc(C(F)(F)F)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.60871136,False
7773,CCCc1cccc2c1OCC(N(CC)CCCN1C(=O)CC(C)(C)CC1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5502214,False
7774,CCCc1cccc2c1OCC(N(CC)Cc1ccc(C(F)(F)F)s1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.59640765,False
7775,CCc1ccc(OC)c(C(=O)NCC2CCCN2N(C)CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23675138,False
7776,CCc1cccc2c1OCC(N(O)CC(C)CC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.40824398,False
7777,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC12CCC(CC1)CC(C)(C)C2,[*]N1CCN([*])C1=O,0.7723694,False
7778,CN(CCN1CCN(c2ccccc2)C1=O)Cc1cncs1,[*]N1CCN([*])C1=O,0.49866825,False
7779,CNc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8584502,False
7780,COc1c(C(=O)NCCN2CCN(Cc3c(C)cccc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3104589,False
7781,COc1cccc(N2CCN(CC=CCNC(=O)c3cccc4c3-c3ccccc3C4)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4567661,False
7782,COc1cccc(N2CCN(CCN3CCCC(C)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7782361,False
7783,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(N(C)C)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9371296,False
7784,Cc1ccc(-c2ccccc2)occc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8286378,False
7785,O=C(NCC=CCN1CCN(COc2ccc(CCF)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28867877,False
7786,O=C(NCC=CCN1CCN(c2ccc3cc(F)ccc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45812988,False
7787,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(O)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9324618,False
7788,O=C(NCC=CCN1CCN(c2ccccc2COCCF)CC1)c1cc2cc(O)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7774825,False
7789,O=C1N(CCN2CC3CCCC2Cc2ccccc2C3)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.59630734,False
7790,O=C1N(CCN2CCCCCCC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.94695497,False
7791,O=C1N(c2cccc(Cl)c2)CCN1C1CCC2CCCNC2C1,[*]N1CCN([*])C1=O,0.35094643,False
7792,C=CCN(C(=O)c1ccoc1)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2637161,False
7793,C=S(=O)(O)CN(CC)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45219108,False
7794,CCCCN(CC)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42772818,False
7795,CCCCN(CC)C1COc2c(cccc2S(=O)(=O)C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46890065,False
7796,CCCCc1cccc2c1OCC(N(O)CCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.61220807,False
7797,CCCN(CCC)C1COc2c(cccc2-c2cccc(C(=O)OC)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.524306,False
7798,CCCN(CS(=O)(=O)c1cccc(OC(F)(F)F)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4638641,False
7799,CCCc1cccc2c1OCC(N(CC)COC(=O)c1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.2998979,False
7800,CCN1CCN(CCN2CCN(c3ccccc3OC)C2=O)CC1,[*]N1CCN([*])C1=O,0.59649307,False
7801,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8512351,False
7802,CCc1cccc2c1OCC(N(COC)C(C)CC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4133305,False
7803,CN1CCCCC(CN2CCN(c3ccncc3)C2=O)C1,[*]N1CCN([*])C1=O,0.38240248,False
7804,COc1ccc(-c2ccccc2)cc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66247225,False
7805,COc1cccc(-c2cccc(N3CCN(CCN4Cc5ccccc5C4)C3=O)c2)c1,[*]N1CCN([*])C1=O,0.78115374,False
7806,COc1cccc(N2CCN(CCN3C4CCCCC3Cc3ccccc3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.62829465,False
7807,Cc1ccccc1-c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.29015785,False
7808,N#CCc1cc(N2CCN(CC3CCC(Nc4cccc(C#N)c4)CC3)C2=O)ccc1Cl,[*]N1CCN([*])C1=O,0.29309836,False
7809,Nc1cccc(C(=O)NCC=CCN2CCN(c3cccc(OCCF)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4666473,False
7810,O=C(CC(=O)c1ccccc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81811655,False
7811,O=C(CN1CCN(c2cccc(OC(F)(F)F)c2)C1=O)NCc1ccc(CF)s1,[*]N1CCN([*])C1=O,0.1217706,False
7812,O=C(NCC=CCN1CCN(c2cc(-c3ccc(Cl)cc3)c[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47369608,False
7813,O=C(NCC=CCN1CCN(c2ccc(OCCF)nc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46248803,False
7814,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(CF)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8852341,False
7815,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccncc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.98730826,True
7816,O=C(NCC=CCN1CCN(c2ccccc2C(F)(F)F)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87812835,False
7817,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84173226,False
7818,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)C1CCc2ccc(O)cc2C1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.781199,False
7819,O=C1N(CCN2C=CC=CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6137038,False
7820,O=C1N(CCN2CCCc3ccccc3C2)CCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.7230902,False
7821,O=C1N(CCOCC2CCCN2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.46765736,False
7822,O=C1N(c2ccccc2)CCN1C1CCc2sccc2C1,[*]N1CCN([*])C1=O,0.3530841,False
7823,CC(C)NC1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6973841,False
7824,CC(C)c1cccc2c1OCC(N(C)CO)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.48004535,False
7825,CC1(C)C2CCCC1(CN1CCN(Cc3ccccc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.38406006,False
7826,CCCCC1C2CCC2N1CCN1CCN(c2cc(Cl)ccc2F)C1=O,[*]N1CCN([*])C1=O,0.37413293,False
7827,CCCCSOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17919372,False
7828,CCCN(CCC)C1COc2c(Cc3ccc(F)cc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.72814673,False
7829,CCCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21664628,False
7830,CCOc1c(CC)ccc(CSC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21742466,False
7831,CCOc1c(OC)ccc(CSC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22313988,False
7832,CCOc1ccc(CC)c(C(=O)NCC2CCCN2C)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21478274,False
7833,CN1CC2CCC(Cc3ccccc31)CC(N1CCN(c3cccnc3)C1=O)C2,[*]N1CCN([*])C1=O,0.34514692,False
7834,COc1ccc(-c2cccc(C(=O)NCC=CCN3CCN(c4c(Cl)cccc4OC)CC3)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35561997,False
7835,COc1ccc(OC)c(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41595817,False
7836,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(-c3ccc(Cl)cc3)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8448994,False
7837,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2Oc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9237924,False
7838,Cc1cccc(N2CCN(CCN(C)Cc3cccc(C)n3)C2=O)c1,[*]N1CCN([*])C1=O,0.5657321,False
7839,Cc1ccccc1C(=O)NCC=CCN1CCN(c2ccccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37505192,False
7840,O=C(CN1CCN(c2ccc3c(c2)OCO3)C1=O)NC1CCCc2ccccc21,[*]N1CCN([*])C1=O,0.13961913,False
7841,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C(=O)NCc1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79962325,False
7842,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1COCCC1c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7431478,False
7843,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97599757,True
7844,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnccc1-c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9094974,False
7845,O=C(NCC=CCN1CCN(c2ccccc2Br)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85339355,False
7846,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc[nH]c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9204611,False
7847,O=C(NCC=CCN1CCN(c2ccco2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39031324,False
7848,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.74543244,False
7849,O=C1N(Cc2ccc(Cl)cc2)CCN1CN1CCC2CC(c3ccc(Cl)cc3)(C2)C1,[*]N1CCN([*])C1=O,0.58663255,False
7850,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1c1cccc2c1Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.38241288,False
7851,CC(C)N1CCN(CCN2CCN(c3ccc(F)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.80453515,False
7852,CC(C)c1cccc(N2CCN(CN(C)CC34CCC(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.5201566,False
7853,CC1CCCCN1CCN1CCN(c2cccnc2)C1=O,[*]N1CCN([*])C1=O,0.4600263,False
7854,CCCCN(C(=O)c1ccoc1)C1COc2c(cccc2C2CCCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.29604605,False
7855,CCCCN(c1ccc(C(F)(F)F)cc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43953767,False
7856,CCCN(C(C)C)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6742553,False
7857,CON(C)N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.414266,False
7858,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2C(C)=O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.42117804,False
7859,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2[N+]([O-])=[N+]=O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38145867,False
7860,COc1ccc(C(=O)NCC=CCN2CCN(Cc3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28512278,False
7861,COc1ccc(F)c(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9197662,False
7862,COc1ccc2[nH]c(O)c(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35072985,False
7863,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4OC)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4221542,False
7864,COc1cccc(CN2CCN(C3COOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.4095038,False
7865,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3cccc(OCCF)c3o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3865849,False
7866,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cccc([N+](=O)[O-])c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39473552,False
7867,COc1ccccc1N1CCN(CCN2Cc3ccsc3Cc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.5221342,False
7868,Cc1cccc2c1OCC(N(CF)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.53118956,False
7869,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccc(-c2ccsc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41026393,False
7870,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c2cc(F)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8709981,False
7871,O=C(NCC=CCN1CCN(c2cccc(O)c2Cl)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.842529,False
7872,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)C(NCCF)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87149715,False
7873,O=C(NCC=CCN1CCN(c2nccc3ccccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40074962,False
7874,O=C(NCC=CCN1CCN(c2sccc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42401993,False
7875,O=C1N(CC23CCCC2CNCC3)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.47973424,False
7876,O=C1N(CC2CCCN3CCCCC23)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5485343,False
7877,O=C1N(CCNCC2CCCCC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.37458494,False
7878,O=C1N(c2ccc(Cl)c(Cl)c2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.27026483,False
7879,CC1CCN(CN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.51905096,False
7880,CCCCN(CC)C1COc2c(cccc2-c2ccncc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5392979,False
7881,CCCN(CC1CC2(CCCC(=O)C2)CCC1=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43286157,False
7882,CCCN(CCC)C1COc2c(cccc2C(O)c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.68579763,False
7883,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2cc(OC)ccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5275243,False
7884,CN1Cc2ccccc2CC2CCC1CNC2CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.64519006,False
7885,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8996137,False
7886,COc1ccc2c(=O)c(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46474284,False
7887,COc1cccc(CC(C)N2CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.79047036,False
7888,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9096603,False
7889,COc1ccccc1C(=O)NCC=CCN1CCN(CNC(=O)c2ccc(CCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28235227,False
7890,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(CF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37047556,False
7891,COc1ccccc1C(=O)NCC=CCN1CCN(c2nc3ccccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40874773,False
7892,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc([O-])[n+]2=O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5868799,False
7893,Cc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3N)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28672516,False
7894,N#Cc1cccc(N2CCN(c3cscc3-c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.36898103,False
7895,O=C(NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2)CC1)c1cc[nH]c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4294117,False
7896,O=C(NCC=CCN1CCN(c2ccc(C3c4ccccc4-c4ccccc43)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.508797,False
7897,O=C(NCC=CCN1CCN(c2ccc3c(c2)-c2ccccc2C3)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54648876,False
7898,O=C(NCC=CCN1CCN(c2cccc[n+](=O)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45087993,False
7899,O=C1N(CC2CCCNC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.50890464,False
7900,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.76506567,False
7901,O=C1N(CCN2CCCC(C(F)(F)F)C2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.61005723,False
7902,O=C1N(CCN2CCCC3CCCc4ccccc4CC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7108868,False
7903,O=C1N(CCN2Cc3ccc4sccc4c3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5500667,False
7904,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccccc1[O-],[*]N1CCN([*])C1=O,0.76612866,False
7905,O=C1N(Cc2cccc(Cl)c2)CCN1CC1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.49227756,False
7906,O=C1N(Cc2ccccc2)CCN1c1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.34898236,False
7907,O=C1N(Cc2csc3ccccc23)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.37687096,False
7908,C#Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9749134,False
7909,CC(C)Oc1ccccc1N1CCN(CCN2CCCCCC2)C1=O,[*]N1CCN([*])C1=O,0.59882444,False
7910,CCCN(CCC)C1COc2c(cccc2-c2ccc(C)o2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7457683,False
7911,CCCOc1c(C)ccc(Br)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16214694,False
7912,CCCSN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15480013,False
7913,CCOC1CCCCc2ccc(N3CCN(c4ccc(Cl)c(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.48455825,False
7914,CCOCN1CCN(CNC(C)c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.14068843,False
7915,CCc1ccc(C)c(C(=O)NCC2CCCN2CSC)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.43341458,False
7916,CCc1ccc(O)c(C(=O)NCC2CCCN2F)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2575803,False
7917,CN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([N+](=O)[O-])c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.25796366,False
7918,COC(C)c1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(O)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72414273,False
7919,COCC1C2CCC1(CN1CCN(c3cccc(Cl)c3)C1=O)CNC2,[*]N1CCN([*])C1=O,0.5707737,False
7920,COCC1CCN(CN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.60956085,False
7921,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C(=O)c2ccccc2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4358895,False
7922,COc1cccc(COCN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.513034,False
7923,COc1ccccc1CNC(=O)C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7531203,False
7924,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ncc(O)[nH]3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9101341,False
7925,Cc1cccc(-c2c(C(=O)NCCN3CCN(CO[O-])CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.22838776,False
7926,Cc1cccc(N2CCN(CC(=O)N3CCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.14329775,False
7927,Cc1coc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32664916,False
7928,O=C(CN1CCN(c2cccc(C(F)(F)F)c2)C1=O)NCc1cccc(F)c1,[*]N1CCN([*])C1=O,0.09953083,False
7929,O=C(NCC=CCN1CCN(c2[nH]ccc2-c2ccc(OCCF)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43350914,False
7930,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5102909,False
7931,O=C(NCC=CCN1CCN(c2cccc([N+](=O)[O-])c2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8221921,False
7932,O=C(NCC=CCN1CCN(c2ccsc2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43289578,False
7933,O=C1N(CC2CCCc3ccccc32)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.5977722,False
7934,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.7547454,False
7935,O=C1N(Cc2ccccc2F)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.30272254,False
7936,CC(C)(C)N1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.3121862,False
7937,CCCCN(O)C1COc2c(cccc2-c2ccc(C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.35641307,False
7938,CCCN(CCC)C1COc2c(cccc2C(=O)c2coc(C)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5396453,False
7939,CCCc1cccc2c1OCC(N(CCC)C1(C)CC(=O)CC(=O)C1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5025786,False
7940,CCN(C)CCN1CCN(c2ccc3sccc3c2)C1=O,[*]N1CCN([*])C1=O,0.527,False
7941,CCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8511135,False
7942,CCc1ccc(OC)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9463664,True
7943,CN(CCN1CCN(Cc2ccccc2)C1=O)CC12CCC(CC(C)(C)C1)C2(C)C,[*]N1CCN([*])C1=O,0.504564,False
7944,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cc(C)cs2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35362098,False
7945,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc3[nH]ccc23)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.41891655,False
7946,COc1ccc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)cc1OC,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39802358,False
7947,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9350886,False
7948,COc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.945689,True
7949,COc1cccc(-c2c[nH]c(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8973825,False
7950,COc1cccc(CN2CCCCCC2N2CCN(Cc3ccccc3Cl)C2=O)c1,[*]N1CCN([*])C1=O,0.27139604,False
7951,COc1ccccc1-c1c(C(=O)NCCN2CCN(CO[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33516294,False
7952,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ncccc3O)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84488475,False
7953,COc1ccccc1N1CCN(CC=CCNC(=O)c2cncc(-c3ccc(F)cc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92375845,False
7954,COc1ccccc1N1CCN(CC=CCNC(=O)c2cnccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79155064,False
7955,O=C(NCC=CCN1CCN(c2c[nH]c3cc(OCCF)ccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6164909,False
7956,O=C(NCC=CCN1CCN(c2cc3ccccn3n2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54878104,False
7957,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(Cl)cc3)cc2)CC1)c1cccc(Cl)c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52381593,False
7958,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46048403,False
7959,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1csc2cc(O)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81875175,False
7960,O=C1N(CC2CCCCN2)CCN1c1cccc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.59550065,False
7961,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(C(F)(F)F)ccc1Cl,[*]N1CCN([*])C1=O,0.8392895,False
7962,O=C1N(c2cccc(Cl)c2)CCN1C1Cc2ccccc2C(O)C1,[*]N1CCN([*])C1=O,0.45312697,False
7963,C#Cc1ccc(O)c(C(=O)NCC2CCCN2C)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1948197,False
7964,CC(C)N1CCc2ccc(CN3CCN(c4cccc(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.4561054,False
7965,CCCCN(CC)C1COc2c(cccc2-c2cccc(OC)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54950815,False
7966,CCCCN(OC(C)=O)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.35521448,False
7967,CCCCN(OC)C1COc2c(cccc2C2CCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5329983,False
7968,CCCCN(c1csc2ccccc12)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4366693,False
7969,CCCN(C(=O)[O-])C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3268767,False
7970,CCCc1cccc2c1OCC(N(CC)CC(F)c1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.45501694,False
7971,CCCc1cccc2c1OCC(N(CCC)c1ccccc1Cl)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.65218425,False
7972,CCNCCN1CCCC1CNC(=O)c1c(OC)ccc(C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.47925332,False
7973,CCNN1CCCC1CNC(=O)c1c(O)ccc(C)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17501989,False
7974,CCOc1c(OC)ccc(CC)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18651707,False
7975,CN1CC2(C)CCC(CN3CCN(c4cccc(Cl)c4)C3=O)C(C)(CC2)C1,[*]N1CCN([*])C1=O,0.65364057,False
7976,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(S(C)(=O)=O)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34245524,False
7977,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([N+](=O)N(C)C)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.36621645,False
7978,COc1c(C(=O)NCCN2CCN(c3cccc([N+](N)=O)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8353758,False
7979,COc1cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.86594546,False
7980,COc1ccc(F)c(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75753385,False
7981,COc1cccc(C2CNCCC2N2CCN(c3cccc(C(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.29081085,False
7982,COc1cccc2c1CCc1cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7845608,False
7983,COc1cccc2oc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82116914,False
7984,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(F)ccc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89694715,False
7985,Cc1csc(CN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.28695196,False
7986,N#Cc1cccc(CNC(=O)N2CCN(c3ccc(F)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.15031229,False
7987,O=C(NCC=CCN1CCN(C2CCCc3ccccc32)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41788945,False
7988,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9251654,False
7989,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccnc(-c2ccccc2O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8860292,False
7990,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1c[nH]c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47767553,False
7991,O=C1N(CCC2(O)CCCc3ccccc32)CCN1Cc1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.39101267,False
7992,CC(C)N1CCN(CCN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1,[*]N1CCN([*])C1=O,0.56136984,False
7993,CC1CCCCN1CCN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5482439,False
7994,CCCCN(O)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49106526,False
7995,CCCN(CC(C)=O)C1COc2c(Cc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41162,False
7996,CCCc1cccc2c1OCC(N(CC)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.588289,False
7997,CN1CC2CCC(Cc3ccccc31)CC(N1CCN(c3ccc(Cl)cc3)C1=O)C2,[*]N1CCN([*])C1=O,0.39886832,False
7998,COC(=O)CN(C(C)=O)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.18863197,False
7999,COCC1C2CCC(c3ccccc3N3CCN(c4ccc(Cl)cc4)C3=O)CC1CC2,[*]N1CCN([*])C1=O,0.32532483,False
8000,COCC1CCC2(N3CCN(c4ccccc4Cl)C3=O)CCCCN12,[*]N1CCN([*])C1=O,0.26955655,False
8001,COc1c(C(=O)NCCN2CCN(c3cccc(S(C)(=O)=O)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.856559,False
8002,COc1ccc2oc(N3CCN(CC=CCNC(=O)c4cccc(F)c4Cl)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37349084,False
8003,COc1ccc2sccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8878853,False
8004,COc1cccc(N2CCN(CCc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.5417204,False
8005,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(F)c(C)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88644904,False
8006,Cc1ccc(CNCN2CCN(c3ccc4sccc4c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.15931961,False
8007,Cc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8373434,False
8008,N#Cc1cccc(CNC(=O)CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.18848227,False
8009,O=C(NCC=CCN1CCN(c2cc(-c3ccccc3)co2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37945545,False
8010,O=C(NCC=CCN1CCN(c2ccc(-c3cc(O)c[nH]3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4900482,False
8011,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1sccc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7533501,False
8012,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(OCCF)cc2nc(O)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8992247,False
8013,O=C(NCC=CCN1CCN(c2cnc3[nH]ccc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43045658,False
8014,O=C1N(CC(=O)N2CCc3ccccc32)CCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.27496842,False
8015,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8442286,False
8016,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.7145233,False
8017,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)CCCC2,[*]N1CCN([*])C1=O,0.82709527,False
8018,CC(CN1CCN(Cc2cccc(Cl)c2)C1=O)N1CCN(CC(F)(F)F)CC1,[*]N1CCN([*])C1=O,0.36134487,False
8019,CC(Cc1ccccc1)(Oc1ccccc1)N1CCN(c2ccc3sccc3c2)C1=O,[*]N1CCN([*])C1=O,0.25658628,False
8020,CC1CN(C(C)C)c2cc(N3CCN(c4cccc(Cl)c4)C3=O)ccc2Cc2ccccc21,[*]N1CCN([*])C1=O,0.41715658,False
8021,CCC(N1Cc2ccccc2C1)N1CCN(Cc2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.47354785,False
8022,CCCCN(CC)C1COc2c(cccc2C(=O)c2coc(C)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.27948743,False
8023,CCCN(CCC)C1COc2c(cccc2NC(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4037053,False
8024,CCc1cccc2c1OCC(N(CC(C)C)C(=O)c1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.20416877,False
8025,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C(=O)N(C)C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4720971,False
8026,COc1c(C(=O)NCCN2CCN(c3cccc([N+](=O)F)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.87290335,False
8027,COc1cc(OCCF)ccc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73815787,False
8028,COc1ccc2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9500019,False
8029,COc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42391253,False
8030,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(O)c(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39829487,False
8031,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OCc3ccccc3)cn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.355694,False
8032,COc1ccccc1N1CCN(CCN2CCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.51903456,False
8033,Cc1ccc(CN2CCN(CCN3CCCc4sccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.44232082,False
8034,N#Cc1cccc(CNC(=O)CN2CCN(c3ccc(F)c(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.14402732,False
8035,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccc(-c2ccc(Cl)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.537485,False
8036,O=C(NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2-c2ccccc2CO3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45008737,False
8037,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-n2cccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93581825,False
8038,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(F)cc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9163331,False
8039,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1ccc(CCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5138431,False
8040,O=C1N(CCN2CCc3ccccc3CC23CCCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6152697,False
8041,O=C1N(Cc2ccccc2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.36553764,False
8042,O=C1N(c2ccccc2)CCN1C1CCC(c2ccccn2)CC1,[*]N1CCN([*])C1=O,0.28071657,False
8043,CC(C)N1Cc2ccc(N3CCN(c4cccc(Cl)c4)C3=O)cc2C1,[*]N1CCN([*])C1=O,0.3502329,False
8044,CC1(C)C2CCC1(CNCCN1CCN(c3cccc(F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.5452355,False
8045,CC1(C)CCCN(CCN2CCN(c3ccc(F)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.56784,False
8046,CC1=CC=CCc2cccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c21,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67395526,False
8047,CC1CCN(CCN2CCN(Cc3cccc(Cl)c3)C2=O)CCN1,[*]N1CCN([*])C1=O,0.7694405,False
8048,CCCCN(Cc1cccs1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43899643,False
8049,CCCN(CCC)C1COc2c(cccc2OC(=O)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49944824,False
8050,CCCN(Cc1ccc(C(C)(O)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5475758,False
8051,CCCc1cccc2c1OCC(N(CCC)c1cc(C(F)(F)F)c[nH]1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6031586,False
8052,CCCc1cccc2c1OCC(N(CCC)c1ccc(C)s1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.60588914,False
8053,CCCc1cccc2c1OCC(N(CO)CCN(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5255341,False
8054,CCc1cccc2c1OCC(N(CF)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.49864358,False
8055,CNC(C)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.75765026,False
8056,COCC1C2CNCC1(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.5638334,False
8057,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38248274,False
8058,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41901156,False
8059,COc1ccc(C(=O)NCCC(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7160018,False
8060,COc1ccccc1C(=O)NCC=CCN1CCN(C=Cc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.29981902,False
8061,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3C)s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7711155,False
8062,COc1ccccc1N1CCN(CC=CCNC(=O)c2ncc(-c3ccccc3)s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8607144,False
8063,CSc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8401707,False
8064,Cc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34569502,False
8065,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6237643,False
8066,NN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3847344,False
8067,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1cccc(C(F)(F)F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4727781,False
8068,O=C1N(CC2CCNC3Cc4ccccc4CCC23)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5094442,False
8069,O=C1N(CCN2CC3CCC(C3)C2Cc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.73916525,False
8070,O=C1N(Cc2cccc(Cl)c2)CCN1CN1CCC(C(F)(F)F)CC1,[*]N1CCN([*])C1=O,0.64540017,False
8071,O=C1N(Cc2cccc(Cl)c2)CCN1c1ccccc1COC1CCCCN1,[*]N1CCN([*])C1=O,0.31764275,False
8072,CC(C)c1ccc2c(c1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.58924365,False
8073,CC1(C)CCNC(CN2CCN(Cc3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.31783465,False
8074,CC12CCC(CN(CCN3CCN(Cc4ccccc4)C3=O)C1)C(C)(C)C2,[*]N1CCN([*])C1=O,0.5912746,False
8075,CC1CCCN(CCN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.713863,False
8076,CCCc1cccc2c1OCC(N(CC)CC(C)(F)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4623397,False
8077,CCN1CCCC1CNC(=O)c1c(SC)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9052355,False
8078,CCOc1c(F)ccc(S(C)(=O)=O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18021692,False
8079,CN1CC2CCC(Cc3ccccc31)C(N1CCN(c3ccc(Cl)c(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.48414108,False
8080,CN1CCCC(CN2CCN(c3ccccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.3634561,False
8081,COCC1C2CCC1(CN1CCN(c3cccc(Cl)c3)C1=O)CCNC2,[*]N1CCN([*])C1=O,0.5418451,False
8082,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9758895,False
8083,COc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4cccc(F)c4)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41342878,False
8084,COc1ccc2c(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cccn12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.829665,False
8085,COc1ccc2c(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4OC)CC3)c[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5230882,False
8086,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccsn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37476122,False
8087,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2-c2cccc(F)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81963575,False
8088,Cc1cccc(N2CCN(C(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.13644354,False
8089,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38880423,False
8090,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccn3)CC2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6052273,False
8091,O=C(NCC=CCN1CCN(c2cc(Cl)cs2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.410833,False
8092,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1ccc(Cl)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5559915,False
8093,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1cc(Cl)ccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5474733,False
8094,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89856666,False
8095,O=C(NCC=CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1c(O)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36326757,False
8096,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc2ccc(OCCF)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9370801,False
8097,O=C(NCC=CCN1CCN(c2csc3ccc(O)cc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.611404,False
8098,O=CCNC(C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9224081,False
8099,C=CCOc1c(Cl)ccc(SC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19455568,False
8100,CC(=O)NCC=CCN1CCN(c2ccc(-c3cccc(C)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39449722,False
8101,CC(CN1CCN(C2CCCOC2)C1=O)c1ccccc1,[*]N1CCN([*])C1=O,0.20611538,False
8102,CC1CCCCN1C(C)CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.3360194,False
8103,CC1CCN(C)c2ccc(N3CCN(c4cccc(Cl)c4)C3=O)cc2Cc2cscc21,[*]N1CCN([*])C1=O,0.53715575,False
8104,CCCCN(C1COc2c(CC)cccc2C1)C1CC(=O)c2c[nH]cc2C1=O,[*]CN([*])C1COc2c([*])cccc2C1,0.3985237,False
8105,CCN1CCCC1CNC(=O)c1c(C)ccc(SCCCF)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5291091,False
8106,CCN1CCCC1CNC(=O)c1c(CO)ccc(Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8786547,False
8107,CN1CC(CN2CCN(c3cccc(Cl)c3)C2=O)c2ccccc21,[*]N1CCN([*])C1=O,0.6472983,False
8108,COCC1Cc2ccccc2N1CCN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.5882811,False
8109,COc1ccc2cc(N3CCN(CCN4Cc5ccccc5C4)C3=O)ccc2c1,[*]N1CCN([*])C1=O,0.7999513,False
8110,COc1ccccc1C(=O)NCC=CCN1CCN(NCCc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.22294687,False
8111,COc1ccccc1C(=O)NCC=CCN1CCN(c2c[nH]c(C=O)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39005145,False
8112,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C)s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8487357,False
8113,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3ccc(O)nc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8966795,False
8114,Cc1cc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)cnc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86441714,False
8115,Cc1ccc(N2CCN(CC34CCC(CC3)CC4)C2=O)cc1,[*]N1CCN([*])C1=O,0.25729272,False
8116,Cc1ccc(OCCN2CCN(Cc3cccc(Cl)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.3027856,False
8117,Cc1cccc(CN(C)CCN2CCN(CC(F)(F)F)C2=O)c1,[*]N1CCN([*])C1=O,0.49665102,False
8118,Cc1cccnc1-c1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1C=O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7939728,False
8119,N#Cc1cccc2c1CCN(CCN1CCN(c3cccs3)C1=O)C2,[*]N1CCN([*])C1=O,0.5417764,False
8120,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1=NC=CC=CC=CC2=CC1=C2O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79218674,False
8121,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1[nH]ccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82728314,False
8122,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc2ccc(OCCF)cc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72976464,False
8123,O=C1N(CC2CCNCC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.4760937,False
8124,O=Cc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44607636,False
8125,CC(=O)NC1CCC(CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.34299323,False
8126,CC1(C)CC2CCC(N1)C(N1CCN(c3cccc(C#N)c3)C1=O)Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.51596874,False
8127,CCCCN(c1ccc(C)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37871787,False
8128,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1nc2ccccc2s1,[*]N1CCN([*])C1=O,0.69412565,False
8129,CN1CC(CN2CCN(c3cccc(Cl)c3)C2=O)Cc2ccccc21,[*]N1CCN([*])C1=O,0.57591933,False
8130,CN1CCCCC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7858763,True
8131,CN1CCN(c2cccc([N+](=O)[O-])c2)C(CN2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.2771187,False
8132,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2c(C)cccc2[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.30592856,False
8133,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cnc[nH]3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6369765,False
8134,COc1cccc(CN2CCN(Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.34347954,False
8135,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(OCCF)ccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4598271,False
8136,C[S+](=O)(Nc1cccc(N2CCN(CC3CCCCC3)C2=O)c1)C(F)F,[*]N1CCN([*])C1=O,0.34627658,False
8137,Cc1ccc(CNC(=O)CN2CCN(c3cccc(Cl)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.14729458,False
8138,Nc1ccccc1C=CC(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7658573,False
8139,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(O)c3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4692011,False
8140,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1cc(-c2ccc(F)cc2)cs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4771246,False
8141,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2O)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52601904,False
8142,O=C(NCC=CCN1CCN(c2ccc3cc(O)[nH]c3c2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3914978,False
8143,O=C(NCC=CCN1CCN(c2ccc3cccc-3nc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48763752,False
8144,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cnsc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78222257,False
8145,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(O)c(-c2ccco2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69558406,False
8146,O=C(NCCN1CCN(CO)CC1)c1cc(Br)c2ccccc2c1-c1cccc(Cl)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37736365,False
8147,O=C1N(CCN2c3ccccc3CC3CCCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.70610845,False
8148,O=C1N(CNCc2cc(F)cc(Cl)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3559494,False
8149,O=C1N(Cc2cccc(OC(F)(F)F)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.42430887,False
8150,CC1(C)CC2CCC(CN(CCN3CCN(CC4COOC4)C3=O)C2)C1,[*]N1CCN([*])C1=O,0.41234195,False
8151,CCC(C)CN(CC)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5744678,False
8152,CCc1ccc(C)c(C(=O)NCC2CCCN2OC)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19789286,False
8153,CN(CCN1CCN(Cc2ccccc2)C1=O)CC1CCCCC1,[*]N1CCN([*])C1=O,0.45468813,False
8154,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC1CCC2CCC2C1,[*]N1CCN([*])C1=O,0.73691446,False
8155,COCC1C2CC(N3CCN(c4cccc(Cl)c4)C3=O)CCC1N(C)C2,[*]N1CCN([*])C1=O,0.5390725,False
8156,COCC1Cc2ccccc2C1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5275006,False
8157,COc1c(C(=O)NCCN2CCN(c3c([O-])cccc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7768179,False
8158,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4446668,False
8159,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(OCCF)cc3)CC2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35451826,False
8160,COc1cccc(N2CCN(CC=CCNC(=O)c3c[nH]c4c(OC)cccc34)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37613475,False
8161,COc1cccc2c(N3CCN(CC=CCNC(=O)c4ccc(OCCF)cc4)CC3)c[nH]c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5679689,False
8162,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(Br)ccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55309135,False
8163,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(Cl)ccc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.57927364,False
8164,Cc1ccc(Cl)cc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8195731,False
8165,Cc1cccnc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)c(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5804975,False
8166,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(F)cc3)o2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36499712,False
8167,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)c(F)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4685279,False
8168,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1CF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54714453,False
8169,O=C(NCC=CCN1CCN(c2cccc3c2-c2ccccc2CC3)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65648085,False
8170,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1n[nH]c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7562332,False
8171,O=C1N(CCN2C3CCCCC2Cc2ccccc2C3)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.6152498,False
8172,O=C1N(CCN2COc3ccccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.70697355,False
8173,O=C1N(CCNCc2cc3ccccc3s2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.30239907,False
8174,O=C1N(CNCc2cccc(Cl)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.333829,False
8175,O=C1N(c2cccc(Cl)c2)CCN1c1cccc2c1N(Cc1ccccc1)CC2,[*]N1CCN([*])C1=O,0.44111413,False
8176,C=CCCc1ccc(OC)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.91951895,False
8177,CC(CN1CCN(CC#N)C1=O)Oc1ccccc1,[*]N1CCN([*])C1=O,0.17915814,False
8178,CCCCN(Oc1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5583188,False
8179,CCCN(CO)C1COc2c(CC3CCC3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5277531,False
8180,CCCc1cccc2c1OCC(N(CCNC)Cc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6112724,False
8181,CCCc1cccc2c1OCC(N(CO)CCN1CCCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.52127856,False
8182,CCN(CC(C)C)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57073665,False
8183,CN(CCN1CCN(c2cc(F)ccc2Cl)C1=O)CC12CCC(CC1)CC2,[*]N1CCN([*])C1=O,0.49261403,False
8184,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(C(=O)[O-])c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3278201,False
8185,COc1ccc2c(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)ccc(Br)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5518693,False
8186,COc1cccc(CN2CCCC(CN3CCN(c4ccc(F)c(Cl)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.6131822,False
8187,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36756828,False
8188,Cc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34193552,False
8189,Cc1cccc(C2CCCN(CN3CCN(c4ccc(Cl)cc4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.5223946,False
8190,O=C(CN1CCN(c2ccccc2)C1=O)CN1CCc2ccccc21,[*]N1CCN([*])C1=O,0.17967536,False
8191,O=C(NCC=CCN1CCN(c2c(F)cccc2Cl)CC1)c1ccc(-c2ccncc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48693195,False
8192,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(O)n3)cc2)CC1)c1cccc(Cl)c1CF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35939586,False
8193,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)nn2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40090364,False
8194,O=C(NCC=CCN1CCN(c2ccc(OCCF)s2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39644384,False
8195,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C(=O)c1cc2ccccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8058309,False
8196,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccnn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97415036,False
8197,O=C1N(C2CCCCC2)CCN1C1CCCCC1c1ccccc1,[*]N1CCN([*])C1=O,0.25217018,False
8198,O=C1N(CC2CCCNC2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.4715695,False
8199,O=C1N(CC2CCCc3ccccc32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.59237725,False
8200,O=C1N(CCN2CCCC3CCCCCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6723212,False
8201,O=C1N(CCN2CCc3ccsc3CC2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.60176533,False
8202,O=C1N(CCNCC2Cc3ccccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.42593756,False
8203,O=C1N(Cc2ccccc2Cl)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.3879366,False
8204,C#Cc1cccc2c1OCC(N(CCC)Cc1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.69327587,False
8205,C=C1C(=O)CC(O)C(C)C1c1cccc2c1OCC(N(C)CCCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.46703064,False
8206,C=Cc1cccc2c1OCC(N(CCC)Cc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.7191727,False
8207,CC(C)c1cccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.841935,False
8208,CC(CN1Cc2ccccc2C1)N1CCN(c2cccc([N+](=O)O)c2)C1=O,[*]N1CCN([*])C1=O,0.35282117,False
8209,CC1CC2CCC(CN(C)CN3CCN(c4cccc(Cl)c4)C3=O)(CC2)C1,[*]N1CCN([*])C1=O,0.5937116,False
8210,CC1CCCCCN1CCN1CCN(c2ccccn2)C1=O,[*]N1CCN([*])C1=O,0.32966846,False
8211,CCCN(CCCNC(C)=O)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57561696,False
8212,CCCc1cccc2c1OCC(N(CC)Cc1ccc(C(=O)O)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.33800524,False
8213,CCCc1cccc2c1OCC(N(CO)CCCN1C(=O)CC3(CCCC3)CC1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.51678884,False
8214,CCN1CCCC1CNC(=O)c1c(Br)ccc(Cl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.90494037,False
8215,CCSCN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.4671315,False
8216,COc1c(C(=O)NCCN2CCN(c3ccc([O-])cc3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8391774,False
8217,COc1c(C(=O)NCCN2CCN(c3cscc3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7798526,False
8218,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37917355,False
8219,COc1ccc(-c2nc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc2C)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85955787,False
8220,COc1cccc(CC2CCN(CCN3CCN(c4ccc(Cl)cc4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.78139377,False
8221,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47637558,False
8222,Cc1ccc(N2CCN(CCN3CCCCCC3)C2=O)s1,[*]N1CCN([*])C1=O,0.67937744,False
8223,N#CC1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.9101808,False
8224,O=C(NCC=CCN1CCN(C2=CC=CCc3ccc(O)cc32)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47387147,False
8225,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(F)cc3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5088598,False
8226,O=C(NCC=CCN1CCN(c2ccc3cc(O)ccc3c2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43134195,False
8227,O=C(NCC=CCN1CCN(c2cccc(Cl)c2CF)CC1)c1ccc(-c2cccc(O)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7014195,False
8228,O=C(NCC=CCN1CCN(c2cccc(O)n2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4877115,False
8229,O=C(NCC=CCN1CCN(c2csc3ccccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6223713,False
8230,CC(C)Oc1cccc(N2CCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.2925125,False
8231,CC1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C(=O)C1,[*]N1CCN([*])C1=O,0.70866805,False
8232,CC1Cc2ccccc2CN1CCN1CCN(Cc2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.53103274,False
8233,CCCCN(C(C)C)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53726315,False
8234,CCCN(COC)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5772983,False
8235,CCCc1cccc2c1OCC(N(CCC)c1ccccn1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.61910623,False
8236,CCN1CCCC1CNC(=O)c1c(C)ccc(Br)c1OCOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7601561,False
8237,CCOc1cccc(Oc2cccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8322113,False
8238,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2cc3ccccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40460497,False
8239,CN(C)Cc1cccc(N2CCN(CC(=O)N3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.23124965,False
8240,CN1c2ccccc2CC2CCC1CNC2N1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.48182356,False
8241,CNc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5257607,False
8242,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4OC)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71904707,False
8243,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(-c4ccccn4)cc3)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.398512,False
8244,COc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89387757,False
8245,COc1cccc(CNCN2CCN(c3cc4ccccc4s3)C2=O)c1,[*]N1CCN([*])C1=O,0.23455852,False
8246,COc1cccc(N2CCN(CCCN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.7819242,False
8247,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(C)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8952458,False
8248,Cc1cccc(C2CCCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.7677053,False
8249,Cc1cccc2c(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7023864,False
8250,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc(-c2ccc(Br)cc2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92260104,False
8251,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ncccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9743305,False
8252,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(C(=O)NCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9111382,False
8253,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cscn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8597324,False
8254,O=C1N(C#Cc2cccc(Cl)c2)CCN1CCN1CCC(C(F)(F)F)CC1,[*]N1CCN([*])C1=O,0.7920966,False
8255,O=C1N(CCN2C3CCCCC2CC3)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.4044695,False
8256,O=C1N(CCN2CCC3CCC(Cc4ccccc4C3)C2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.73116124,False
8257,O=C1N(CCOC2CCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.75299746,False
8258,CC(C)OC1CCCCC1N1CCN(c2ccc(Cl)cc2F)C1=O,[*]N1CCN([*])C1=O,0.15181386,False
8259,CC1C2CCC(CN(C)CCN3CCN(c4cc(Cl)cc(Cl)c4)C3=O)CC1C2,[*]N1CCN([*])C1=O,0.37208602,False
8260,CC1CC2CCC1CCN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.72067,False
8261,CC1CCc2ccc(N3CCN(c4cccc5c4NCCC5)C3=O)cc2C1O,[*]N1CCN([*])C1=O,0.27199546,False
8262,CCCCN(CC)C1COc2c(cccc2C(=O)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3604981,False
8263,CCCN(CC)C1COc2c(cccc2-c2ccccc2C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5636449,False
8264,CCCN(CC)C1COc2c(cccc2C(=O)O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56209946,False
8265,CCCc1cccc2c1OCC(N(CC(F)(F)F)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.56037813,False
8266,CCCc1cccc2c1OCC(N(CC)Cc1ccc(F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6577774,False
8267,CCc1ccc(C)c(C(=O)NCC2CCCN2S(C)(=O)=O)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.113216504,False
8268,CN(C)c1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4027436,False
8269,COc1c(C(=O)NCCN2CCN(c3cccnc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.87131256,False
8270,COc1ccc(-c2nc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)c[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9360446,False
8271,COc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1C#N,[*]N1CCN([*])C1=O,0.8467483,False
8272,COc1cccc(OC)c1N1CCN(CC=CCNC(=O)c2cc3ccccc3o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.406668,False
8273,Cc1cccnc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8624829,False
8274,N#Cc1cccc(CN2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7376317,False
8275,Nc1cc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)ccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90968883,False
8276,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccc(F)cc2)ncn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85723996,False
8277,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(Br)ccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86930203,False
8278,O=C(NCC=CCN1CCN(c2nccs2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36146894,False
8279,O=C1N(CCN2CCCCc3ccccc32)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.52599066,False
8280,O=C1N(CCN2CCN(Cc3ccccc3)CC2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.5923127,False
8281,O=C1N(CCN2CCc3ccccc3C23CCCCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6021844,False
8282,O=C1N(Cc2ccc(Cl)cc2)CCN1C1CCCCCN1,[*]N1CCN([*])C1=O,0.29147106,False
8283,O=C1N(c2ccc(F)cc2)CCN1C1CCCN(Cc2ccccc2)CC1,[*]N1CCN([*])C1=O,0.5916017,False
8284,O=Cc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4609543,False
8285,CC1CCC(=O)N(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.56957966,False
8286,CCCN1CCCC1CNC(=O)c1c(F)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.46855667,False
8287,CCN(COC)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.33708212,False
8288,CCOc1c(C)ccc(CSC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17180094,False
8289,CCc1cccc2c1OCC(N(CC)Cc1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4976768,False
8290,CCc1cccc2c1OCC(N(CCc1ccoc1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.43600538,False
8291,CN(CCN1CCN(c2ccccc2Cl)C1=O)Cc1cccs1,[*]N1CCN([*])C1=O,0.49779245,False
8292,CN1c2ccccc2CC2CCC1CC2N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.4004282,False
8293,COCC1Cc2ccccc2C1CN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.43394405,False
8294,COc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4cccc(F)c4Cl)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8729894,False
8295,COc1cccc2c(C(=O)NCC=CCN3CCN(c4ccc(F)cc4Cl)CC3)c[nH]c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5060507,False
8296,COc1ccccc1C1C2CCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC1CC2,[*]N1CCN([*])C1=O,0.73763996,False
8297,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(S(=O)(=O)c3ccccc3)ccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7121153,False
8298,Cc1cccc(N2CCN(CCCN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.7503212,False
8299,Cc1cccnc1-c1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7449511,False
8300,Cn1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8688341,False
8301,O=C(C=CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7841071,False
8302,O=C(NCC=CCN1CCN(c2ccc(F)c(Cl)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46567455,False
8303,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cnccc2Br)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94748414,False
8304,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc2[nH]c(O)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93429226,False
8305,O=C1N(CC2CCC3Cc4ccccc4CCCN3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6079796,False
8306,O=C1N(CC2CCCCN2c2cccc(Cl)c2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.45365128,False
8307,O=C1N(CCN2CC3CCC2CNC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7638804,False
8308,O=C1N(CCN2CCCC3CCC2CC3)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.5328872,False
8309,O=C1N(CCN2CCN(CC(F)(F)F)CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.7974458,False
8310,O=C1N(CCN2CCN(Cc3csc4ccccc34)CC2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.6760971,False
8311,O=C1N(c2ccc(Cl)cc2)CCN1S1(Cc2ccccc2)CCCNC1,[*]N1CCN([*])C1=O,0.34987646,False
8312,CC(C#N)c1cccc(N2CCN(C3CCc4ccsc4CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.43388954,False
8313,CC(C)CN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.31003618,False
8314,CC1(C)CC2CC(C)(CN2CCN2CCN(Cc3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.46078232,False
8315,CCCCN(C1COc2c(cccc2OC)C1)C1CCC2(CCC(=O)C(=O)C2(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37272808,False
8316,CCCc1cccc2c1OCC(N(CO)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.53006005,False
8317,CCN1CCCC(CN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5464004,False
8318,CCOC(=O)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.45201108,False
8319,CCON1CCCC1CNC(=O)c1c(CC)ccc(C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19233397,False
8320,CN(CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.6137682,False
8321,COc1c(C(=O)NCCN2CCN(C=O)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.49074817,False
8322,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(OCCF)cc3)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35584867,False
8323,COc1ccc(C2CCCN(CN3CCN(c4cc(Cl)ccc4Cl)C3=O)C2)cc1,[*]N1CCN([*])C1=O,0.45508972,False
8324,COc1ccc(N2CCN(CC=CCNC(=O)c3ccc(O)cc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40732536,False
8325,COc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)cc1OC,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.93370104,False
8326,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(O)c(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.911813,False
8327,Cc1c(C(=O)NCCN2CCN(c3ccccc3[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8043658,False
8328,Cc1cc(CN2CCN(Cc3cccc(Cl)c3)C2=O)on1,[*]N1CCN([*])C1=O,0.17741723,False
8329,N#Cc1cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.9315873,True
8330,N#Cc1cccc(CN2CCN(C3CCc4ccsc4CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.499847,False
8331,O=C(Cc1cc2cc(O)ccc2[nH]1)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7815954,False
8332,O=C(NCC=CCN1CCN(c2cccc(C(O)c3ccccc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3783831,False
8333,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2cc(OCCF)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8833112,False
8334,O=C(NCC=CCN1CCN(c2ccccc(F)c2=O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71687937,False
8335,O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1cc(Br)c2ccccc2c1CO,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.72459924,False
8336,O=C1N(CC2COOC2)CCN1C1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.42503297,False
8337,O=C1N(CCN2CCC3CCCCCCC32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.41418865,False
8338,O=C1N(CCN2c3ccccc3CC3CCCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7279607,False
8339,CC(C)c1cc(Cl)cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7741442,False
8340,CC1c2ccccc2CN1CCN1CCN(c2ccc3c(c2)OCO3)C1=O,[*]N1CCN([*])C1=O,0.6264433,False
8341,CCCN(C(C)C)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6310486,False
8342,CCCN(CCC)C1COc2c(cccc2-c2coc(C(F)(F)F)cc2=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6287451,False
8343,CCCc1ccc(O)c(C(=O)NCC2CCCN2C)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2535534,False
8344,CN(Cc1cccc(F)c1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.47056833,False
8345,COCC1CCCN1CN1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.4068738,False
8346,CON=C(CN1CCN(CCN2Cc3ccccc3C2)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5813308,False
8347,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9362272,False
8348,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3F)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48098916,False
8349,COc1cccc(N2CCN(CC3CCCCCN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.5385743,False
8350,COc1cccc(N2CCN(CCN3CCCCC(C)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7535833,False
8351,Cc1ccc(F)c(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3924461,False
8352,Cc1ccc(OCCF)cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47372916,False
8353,Cc1ccccc1-c1cccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3171017,False
8354,N#Cc1cccc(CN2CCN(Cc3ccc(F)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.3508292,False
8355,O=C(NCC=CCN1CCN(c2ccc(-c3cnn[nH]3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4195963,False
8356,O=C(NCC=CCN1CCN(c2ccc(O)cc2)CC1)c1c(Cl)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49565035,False
8357,O=C(NCC=CCN1CCN(c2cccc3c2CCc2ccccc2Cc2ccccc2-3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68291813,False
8358,O=C1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)OC1,[*]N1CCN([*])C1=O,0.6693409,False
8359,O=C1N(CC2CNCC3Cc4ccccc4C3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.63860804,False
8360,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.8090155,False
8361,O=C1N(CCN2CCCCC(OCc3ccccc3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.77405965,False
8362,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.5460636,False
8363,O=C1N(CCNCC2CCc3sccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.4080246,False
8364,O=C1N(CCOCC2CCCCN2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.50922954,False
8365,O=Cc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9085436,False
8366,CC(C)Oc1cccc(N2CCN(CC3CC4CCN(Cc5ccccc5C4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.4717646,False
8367,CC(OCN1CCN(CCN2Cc3ccccc3C2)C1=O)c1ccccc1,[*]N1CCN([*])C1=O,0.7027473,False
8368,CC1(C)C2CCC1(NCCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.6525846,False
8369,CC1c2ccccc2CN1CCN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7135174,False
8370,CCCCCN(F)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56060517,False
8371,CCCCc1cccc2c1OCC(N(CO)CCN1C(=O)CC3(CCCC3)CC1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.47619814,False
8372,CCCN(CO)C1COc2c(cccc2C2CC(=O)CC3(CCCC3)CC2=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.44702736,False
8373,CCN(CCC(C)C)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47509712,False
8374,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2[N+](=O)c2ccc(Cl)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.46462727,False
8375,COc1cccc(CN2CCCCC(N3CCN(c4cccc(C)c4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.38263947,False
8376,COc1ccccc1N1CCN(CC=CCNC(=O)c2cncc(C)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82243127,False
8377,Cc1c(F)cccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8771059,False
8378,Cc1ccc(-c2cccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35148644,False
8379,Cc1cccc(O)c1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38878548,False
8380,N#CC(F)(F)c1cccc(N2CCN(Cc3ccccn3)C2=O)c1,[*]N1CCN([*])C1=O,0.316373,False
8381,O=C(NCC=CCN1CCN(c2ccc(O)c(OCCF)c2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47759017,False
8382,O=C(NCC=CCN1CCN(c2ccc3cc(OCCF)ccc3c2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42402518,False
8383,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Cl)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94996834,False
8384,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1c[nH]c2ccc(OCCF)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44405672,False
8385,O=C(NCC=CCN1CCN(c2cccnc2)CC1)c1ccc(Cl)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5215757,False
8386,O=C1N(CC2CCC(C(F)(F)F)CCN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.66675353,False
8387,O=C1N(CCN2CCCCCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.88869786,True
8388,O=C1N(CCN2CCCCc3ccccc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.6763927,False
8389,O=C1N(c2ccccc2)CCN1C1NCCCC1Cc1ccccc1,[*]N1CCN([*])C1=O,0.3649232,False
8390,O=C1N(c2csc3ccccc23)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.23704225,False
8391,C=CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6072813,False
8392,CC1CC2CC(CN(CCN3CCN(c4ccc(Cl)cc4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.5577445,False
8393,CCCN(CCC)C1COc2c(cccc2-c2cc(C)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7429462,False
8394,CCCN(COC(C)=O)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49160025,False
8395,CCN(Cc1ccnc(C)c1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.37382606,False
8396,CCOc1c(C)ccc(S(C)(=O)=O)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.13161966,False
8397,CCOc1c([SH](C)O)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25985506,False
8398,CN(CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O)Cc1cccs1,[*]N1CCN([*])C1=O,0.65158224,False
8399,CN(CN1CCN(c2cccnc2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.4957604,False
8400,CN1CC2(CN3CCN(c4cccc(Cl)c4)C3=O)CCC1CC2(C)C,[*]N1CCN([*])C1=O,0.62774634,False
8401,CN1CCCCC1N1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.46301556,False
8402,CN1Cc2ccccc2CC2CCCC1C2N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.46898207,False
8403,COCC1c2ccccc2CCN1CCN1CCN(c2cccc(C)c2)C1=O,[*]N1CCN([*])C1=O,0.6335858,False
8404,COc1cc(N2CCN(CC=CCNC(=O)c3ccccn3)CC2)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43583208,False
8405,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3C#Cc3ccccc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7345712,False
8406,COc1ccc(C)c(OC)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19276711,False
8407,COc1ccccc1C(=O)NCC=CCN1CCN(OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.29349187,False
8408,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3cc(OCCF)ccc(OC)c-3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41347983,False
8409,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc3cc(O)oc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6111389,False
8410,COc1ccccc1Oc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8711128,False
8411,Nc1ccc(O)c(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64949805,False
8412,O=C(NCC=CCN1CCN(c2cc3cccc(OCCF)c3o2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42510483,False
8413,O=C(NCC=CCN1CCN(c2cc[nH]c2-c2cccc(O)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.663987,False
8414,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67116874,False
8415,O=C(NCC=CCN1CCN(c2cccc(-c3cccc(F)n3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47252882,False
8416,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)OCc1ccccc1O2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7395613,False
8417,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccn[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85770744,False
8418,O=C(NCC=CCN1CCN(c2ccsc2)CC1)c1cccc(OCCF)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4285076,False
8419,CC(CN1CCCCCC1)N1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.27761838,False
8420,CC1(CN2CCN(c3ccc(F)cc3)C2=O)CCCCC1,[*]N1CCN([*])C1=O,0.29516235,False
8421,CCCCN(CC1CCCC(=O)C1)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.34423724,False
8422,CCCN(CCC)C1COc2c(cccc2-c2ccc(O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7734843,False
8423,CCCN(CCC)C1COc2c(cccc2N2C(=O)CC(C)(C)CC2=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.67092854,False
8424,CCCOC1CCCc2ccc(N3CCN(c4cc(Cl)cc(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.4508722,False
8425,CCCc1cccc2c1OCC(N(CCC)c1cccc(F)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.59762555,False
8426,CCN(CC(C)C)C1COc2c(cccc2C(F)(F)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.542018,False
8427,CCc1ccc(C=O)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.67589986,False
8428,COCC1C2CCCC1CC(N1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.48284975,False
8429,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc([N+](=O)[N+](=O)[O-])cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.2790832,False
8430,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ncccc3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54215,False
8431,COc1cccc(-c2c[nH]c(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86046624,False
8432,COc1cccc(CN2CCN(C3CCCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.43574643,False
8433,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccccn3)ccc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55225015,False
8434,Cc1ccc(F)cc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72680837,False
8435,Cc1cccc(N2CCN(C3CC4CCC(C3)N4Cc3cccc(F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.2927445,False
8436,Nc1ccccc1C(=O)C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87103415,False
8437,O=C(NCC=CCN1CCN(c2cc(Cl)ccn2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4787902,False
8438,O=C(NCC=CCN1CCN(c2ccc(F)cc2)CC1)c1cccc(F)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5092221,False
8439,O=C(NCC=CCN1CCN(c2ccc(F)cc2Cl)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6076176,False
8440,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2nccnc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72564584,False
8441,O=C(NCC=CCN1CCN(c2cccc3c2-c2ccccc2C3)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6091337,False
8442,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccsc2)cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82912576,False
8443,O=C1N(CCC2CCCc3ccccc32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.66923153,False
8444,O=C1N(CCc2ccc(Cl)cc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.695254,False
8445,O=C1N(c2ccccc2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.2975343,False
8446,CC(=O)C1CCCCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.50078,False
8447,CC(=O)NC1CC2CCC1(CN1CCN(c3ccc(C)cc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.095360346,False
8448,CC(c1ccccc1)N1CCC(N2CCN(CNC3CCCCC3)C2=O)CC1,[*]N1CCN([*])C1=O,0.24218762,False
8449,CC1(C)CCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.6660159,False
8450,CCCCN(Oc1ccco1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49141058,False
8451,CCCN1CCCC1CNC(=O)c1c(CC)ccc(C)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.40353134,False
8452,CCCc1cccc2c1OCC(N(COC)c1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.529564,False
8453,CCOc1c(Br)ccc(SC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25695726,False
8454,CCc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)s1,[*]N1CCN([*])C1=O,0.7527471,False
8455,CN1CCC(CN2CCN(c3cccc(C(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6068195,False
8456,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2ccc(CCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45026928,False
8457,COc1ccc2c(c1)CCCC2N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3845915,False
8458,COc1ccc2cc(N3CCN(CC=CCNC(=O)c4ccc(OCCF)cc4)CC3)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3697411,False
8459,COc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8354339,False
8460,COc1ccccc1N1CCN(CC=CCNC(=O)c2[nH]ccc2-c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84591657,False
8461,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3cc(OCCF)ccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93757796,False
8462,Cc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1-c1nc(O)ccc1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.839708,False
8463,Cc1ccc(CN2CCN(c3ccc4ccccc4c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.29889387,False
8464,Cc1cccc(C2CCC(CN3CCN(c4cccc(Cl)c4)C3=O)CN2)n1,[*]N1CCN([*])C1=O,0.54345626,False
8465,Cc1ccccc1N1CCN(CC2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.37020466,False
8466,N#Cc1cccc(N2CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.89956695,False
8467,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccccc1Oc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44565913,False
8468,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1c(Cl)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87546074,False
8469,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)NCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8068159,False
8470,O=C(NCC=CCN1CCN(c2ccncc2)CC1)c1c(Cl)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5167173,False
8471,O=C1N(CC(=O)N2CCc3ccccc32)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.1708806,False
8472,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.7694442,True
8473,O=C1N(C[S+]2C=CC=Cc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.36318928,False
8474,CC1CCCC(CN2CCN(c3cccc(Cl)c3)C2=O)N1C,[*]N1CCN([*])C1=O,0.7024735,False
8475,CC1CCCCN1CCN1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.4646451,False
8476,CC1CCN(CCN2CCN(c3ccc(F)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.82604307,False
8477,CC1CCc2ccccc2N1CCN1CCN(c2ccc3sccc3c2)C1=O,[*]N1CCN([*])C1=O,0.50988966,False
8478,CC1c2ccccc2CN1CCN1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.7125791,False
8479,CCCN(C)N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2982382,False
8480,CCN1CCCC1CNC(=O)c1c(C)ccc(O)c1O[N+]C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7469391,False
8481,CCOc1c(F)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2090534,False
8482,CN(c1ccccc1)c1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91205823,False
8483,COc1c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)oc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88679415,False
8484,COc1c(Cl)cc(C)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89922464,False
8485,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)nc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92207414,False
8486,COc1ccc2c(CN3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30046117,False
8487,COc1cccc(CC(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76781774,False
8488,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccccc3)ccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5480408,False
8489,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(CCF)ccc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5532467,False
8490,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(Cl)c3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9240623,False
8491,Cc1ccc(CN2CCN(c3cccc(C(F)(F)F)c3)C2=O)s1,[*]N1CCN([*])C1=O,0.35616803,False
8492,Cc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2C)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32567424,False
8493,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3O)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46695197,False
8494,O=C(NCC=CCN1CCN(c2cc3cc(F)ccc3[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3829878,False
8495,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(O)cc3)cc2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46154833,False
8496,O=C(NCC=CCN1CCN(c2cccc(Cl)c2[N+](=O)[O-])CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.58648753,False
8497,O=C(NCC=CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3998158,False
8498,O=C(NCC=CCN1CCN(c2cccs2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46964073,False
8499,O=C1N(CC2CCCCN2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.41139698,False
8500,O=C1N(CC2CNCCc3ccccc32)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.5907294,False
8501,O=C1N(CCC2Cc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.63839567,False
8502,O=C1N(CCN2CCCC(c3ccccc3)CC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.8556953,False
8503,O=C1N(CCN2CCCc3ccsc3C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6697499,False
8504,CC(C)OC1Cc2ccccc2CN1CCN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5628005,False
8505,CCC(=O)c1cccc2c1OCC(N(CC)CC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3712336,False
8506,CCCCN(C(=O)c1ccc(O)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2652509,False
8507,CCCCSOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19233134,False
8508,CCCN(C1COc2c(cccc2C(C)C)C1)C(F)(F)F,[*]CN([*])C1COc2c([*])cccc2C1,0.56494945,False
8509,CCN(C)CCN1CCN(CC(F)(F)F)C1=O,[*]N1CCN([*])C1=O,0.507861,False
8510,CCc1cccc2c1OCC(N(C=C(C)C)COC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.35225734,False
8511,CN(CCN1CCN(c2ccc(F)cc2)C1=O)CC1CCCCC1,[*]N1CCN([*])C1=O,0.5073226,False
8512,CN(CCN1CCN(c2ccc3ccsc3c2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.4107813,False
8513,CN1CC2Cc3ccccc3C(CC(N3CCN(c4cccc(Cl)c4)C3=O)C2)C1,[*]N1CCN([*])C1=O,0.5899818,False
8514,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(SC)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38876972,False
8515,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88325447,False
8516,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1N,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9611841,False
8517,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41600728,False
8518,COc1cccc(-c2ccccc2C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.820783,False
8519,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccccc3)ccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48506254,False
8520,Cc1c[nH]c(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9006431,False
8521,Cc1ccc(CN(C)CCN2CCN(c3ccc(F)cc3)C2=O)s1,[*]N1CCN([*])C1=O,0.44446695,False
8522,Cc1ccccc1-c1c(C(=O)NCCN2CCN(c3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7612844,False
8523,N#Cc1ccc2c(c1)CN(CCN1CCN(c3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.755834,False
8524,O=C1N(CC2CCNCC2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.50524807,False
8525,O=C1N(CC2COCN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4836321,False
8526,O=C1N(CC2NC3CCCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.58346987,False
8527,O=C1N(CCN2CC3CCC2CCc2ccccc2C3)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.55961096,False
8528,O=C1N(CCN2CCCCC2c2ccccc2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.37976024,False
8529,O=C1N(CCOCc2ccccc2)CCN1c1cccc(O)c1,[*]N1CCN([*])C1=O,0.49151042,False
8530,O=C1N(CNC2CCCc3sccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4699299,False
8531,O=C1N(c2ccc(F)c(Cl)c2)CCN1C1CCc2ccsc2CC1,[*]N1CCN([*])C1=O,0.38588232,False
8532,CC1(C)CC2CCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C2C1,[*]N1CCN([*])C1=O,0.7196154,False
8533,CC1CCCN(CCN2CCN(Cc3ccccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.66575277,False
8534,CCCN(C(C)C)C1COc2c(cccc2C(=O)c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42296878,False
8535,CCCN(CC)C1COc2c(cccc2S(=O)(=O)c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45629525,False
8536,CCCOc1c(CC)ccc(C)c1C(=O)NCC1CCCN1S,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18642522,False
8537,CCCc1cccc2c1OCC(N(CCC)c1ccc(C=O)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5698145,False
8538,CCSN1CCCC1CNC(=O)c1c(Br)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23360062,False
8539,CCSN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15097944,False
8540,CN(c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8723806,False
8541,CN1CCCCC1CN1CCN(c2ccccn2)C1=O,[*]N1CCN([*])C1=O,0.46706793,False
8542,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(Br)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3692263,False
8543,COc1cc(OC)cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43727863,False
8544,COc1cccc(C2CCCN(CCN3CCN(C(C)c4ccccc4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.79554224,False
8545,COc1cccc2sc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91353273,False
8546,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3ccccc3cc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6020942,False
8547,COc1ccccc1CN1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2848087,False
8548,O=C(NCC=CCN1CCN(c2cc3cccc(OCCF)c3o2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42900503,False
8549,O=C(NCC=CCN1CCN(c2ccc3ccccc3c2)CC1)c1cc(Cl)ccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5344648,False
8550,O=C(NCCN1CCN(c2ccc(Cl)cc2)CC1)c1cc(Br)c2ccccc2c1Cl,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.81172717,False
8551,O=C1CC(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c2ccccc2-c2ccccc2O1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34525168,False
8552,O=C1N(CCN2CC3COCC2Cc2ccccc2C3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.50777006,False
8553,O=C1N(CCN2CCC(OC(F)c3ccccc3)CC2)CCN1c1cccc(O)c1,[*]N1CCN([*])C1=O,0.76154315,False
8554,O=C1N(CCN2CCC([N+](=O)[O-])CC2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.5592193,False
8555,O=C1N(CCN2CCCCc3ccsc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.69297355,False
8556,O=C1N(CCN2CCCc3sccc3C2)CCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.580521,False
8557,O=C1N(CCNCC2CCCCC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.23043494,False
8558,O=C1N(CCNCc2ccccn2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.2580757,False
8559,O=C1N(CCNc2csc3ccccc23)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.38802427,False
8560,CC(C#N)N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.3028906,False
8561,CCCCCN(CC)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47257194,False
8562,CCCCN(C1COc2c(CC)cccc2C1)N1C=C(C(F)(F)F)CC1(O)CC,[*]CN([*])C1COc2c([*])cccc2C1,0.48049107,False
8563,CCN1CCCC1CNC(=O)c1c(C)ccc(SO)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6820385,False
8564,CCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1[N+](=O)[O-],[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.124702275,False
8565,CNc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31808144,False
8566,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2[N+]2(C)CCCC2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3785064,False
8567,COc1c(C(=O)NCCN2CCN([N+](=O)c3ccc(Cl)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.47290006,False
8568,COc1ccc(N2CCN(CC=CCNC(=O)c3c(F)cccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30381775,False
8569,COc1cccc(N2CCN(CC3CCCCN4CCCC34)C2=O)c1,[*]N1CCN([*])C1=O,0.41736612,False
8570,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4556546,False
8571,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(C=O)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42357478,False
8572,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccccc3)c[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89778286,False
8573,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(N)ccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85000885,False
8574,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2C2CCCCC2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75398326,False
8575,COc1ccccc1[N+](=O)c1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89123297,False
8576,Nc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(F)cc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56646997,False
8577,O=C(NCC=CCN1CCN(NC2CCc3ccc(O)cc3C2)CC1)c1cccc(Cl)c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5006423,False
8578,O=C(NCC=CCN1CCN(c2ccc(Cl)c(O)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4931207,False
8579,O=C1N(C2CCOOC2)CCN1C1CCCCCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.3019232,False
8580,O=C1N(CCN2CCCC2COCc2ccccc2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5938564,False
8581,O=C1N(CCN2CCCCCC2)CCN1c1ccccc1C(F)(F)F,[*]N1CCN([*])C1=O,0.697924,False
8582,O=C1N(CNCc2ccc3ccccc3c2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.31557044,False
8583,O=C1N(COCC2CCCCN2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.36477903,False
8584,O=C1N(Cc2ccccc2)CCN1CC1CN(Cc2ccccc2)Cc2ccccc21,[*]N1CCN([*])C1=O,0.6510203,False
8585,O=CCNC(=O)c1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96325994,False
8586,CC(C)Oc1cccc(N2CCN(CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.49944255,False
8587,CC(C)c1ccc(N2CCN(CCN3CCCOCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.46017295,False
8588,CCCN(CC(=O)c1ccsc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4375458,False
8589,CCCN(CCC1C(=O)CC2(CCCC2)CC1=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5430558,False
8590,CCCc1cccc2c1OCC(N(CCC)c1cccnc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.58915085,False
8591,CCOc1c(C)ccc(S(C)(=O)=O)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.60361516,False
8592,CN(C)CC12CCC(N3CCN(c4cccc(Cl)c4)C3=O)CC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.5270188,False
8593,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C2=C(C)[N+]C=CC=CC=C2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3722898,False
8594,COc1c(C(=O)NCCN2CCN(c3cc(C)cn3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.74650836,False
8595,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(OC)n3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.366072,False
8596,COc1cccc(N2CCN(CCNCc3ccc4sccc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.30416954,False
8597,COc1cccc2scc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88386434,False
8598,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(O)ccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49033776,False
8599,COc1ccccc1N1CCN(CC=CCNC(=O)c2ncc(-c3ccccc3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89761233,False
8600,C[N+]c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4456094,False
8601,O=C(NCC=CCN1CCN(c2c[nH]c3cc(F)ccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5126476,False
8602,O=C(NCC=CCN1CCN(c2ccc(Oc3cccc(Cl)c3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49304536,False
8603,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(Cl)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8943057,False
8604,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2c(O)cccc2cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8933628,False
8605,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39466906,False
8606,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccccc2F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8537233,False
8607,O=C(NCC=CCN1CCN(c2scc(Cl)c2Cl)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45750886,False
8608,O=C1N(CC2CCCCN2)CCN1c1cccc2c1OCC2,[*]N1CCN([*])C1=O,0.41131568,False
8609,O=C1N(CCN2CCCCCC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.94695497,True
8610,O=C1N(c2cccc(CN3CCCCC3)c2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.36627254,False
8611,O=C1N(c2cccc(Cl)c2)CCN1C1CCNCC1F,[*]N1CCN([*])C1=O,0.4321411,False
8612,CC1(C)CC2(CN3CCN(c4ccccc4)C3=O)CCC1CC2,[*]N1CCN([*])C1=O,0.42446578,False
8613,CCCCN(C(=O)c1ccoc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.29224795,False
8614,CCCN(C(C)C)C1COc2c(cccc2C(=O)OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3867083,False
8615,CCc1cccc2c1OCC(N(CC(C)=O)C(=O)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.15456063,False
8616,CN(CN1CCN(c2ccc(F)cc2)C1=O)CC12CCC(CC1)CC2(C)C,[*]N1CCN([*])C1=O,0.57716423,False
8617,CNC(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9352008,False
8618,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccccc2C#Cc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6837914,False
8619,COc1ccc2c(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9639206,True
8620,COc1ccccc1-c1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8723214,False
8621,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccccc3)ns2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88545626,False
8622,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccn3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8900908,False
8623,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Cl)cn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93390894,False
8624,COc1ccccc1N1CCN(CC=CCNC(=O)c2csc(-c3ccc(F)cc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93686014,False
8625,N#Cc1cccc(N2CCN(CCN3Cc4ccccc4CC4CCCCC43)C2=O)c1,[*]N1CCN([*])C1=O,0.6054655,False
8626,O=C(NCC=CCN1CCN(c2cc(-c3ccsc3)ccc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54822236,False
8627,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1CCCc2ccc(O)cc21,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6961456,False
8628,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccc(F)cc2)no1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84966767,False
8629,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9337617,False
8630,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccs2)c(Br)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9132868,False
8631,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Oc2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9360087,False
8632,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc([N+](=O)[O-])cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87589294,False
8633,O=C(NCC=CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1cccc(Cl)c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38388377,False
8634,O=C(NCC=CCN1CCN(c2cnc3n[nH]cc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35760975,False
8635,O=C1N(CC(F)(F)F)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.36005673,False
8636,O=C1N(CC23CCNCC(CC2)C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.59944826,False
8637,O=C1N(CC2CCCCN2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.4167203,False
8638,O=C1N(CC2CCCCN2)CCN1c1ccc(Cl)c(F)c1Cl,[*]N1CCN([*])C1=O,0.42305458,False
8639,O=C1N(CCN2CCCCC(c3ccccc3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.81191206,False
8640,O=C1N(Cc2ccc(F)c(Cl)c2)CCN1Cc1cc2ccccc2o1,[*]N1CCN([*])C1=O,0.28418648,False
8641,O=C1N(c2ccc3c(c2)CCCCC3)CCN1c1ccc2c(c1)CCOCC2,[*]N1CCN([*])C1=O,0.22454846,False
8642,CC(C)c1ccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.64351803,False
8643,CCCCN(C1CCCC(=O)C1)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37930906,False
8644,CCCCN(CC1CCCC(=O)C1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45080486,False
8645,CCCCN(O)C1COc2c(Cc3ccoc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48583415,False
8646,CCCN(CC(C)=O)C1COc2c(cccc2C(=O)c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51952875,False
8647,CCCN(COc1cccs1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5950341,False
8648,CCCc1cccc2c1OCC(N(Cc1ccccc1)C1CCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5460208,False
8649,CCOCN1CCN(CC2CCCCC2)C1=O,[*]N1CCN([*])C1=O,0.29368448,False
8650,COCC1C2CCC1(C)CC(N1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.4988914,False
8651,COc1c(C(=O)NCCN2CCN(c3cc(C)ccc3O)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7919145,False
8652,COc1c(C(=O)NCCN2CCN(c3cccc(C(=O)c4ccccc4)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8256271,False
8653,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9745441,False
8654,COc1ccc(-c2csc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3765974,False
8655,COc1ccccc1N1CCN(CC=CCNC(=O)c2sccc2-c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8063378,False
8656,Cc1cc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)ccc1-c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7429407,False
8657,Cc1ccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)cn1,[*]N1CCN([*])C1=O,0.756879,False
8658,Cc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36495697,False
8659,Cc1nc(N2CCN(c3cccc(Cl)c3)C2=O)sc1C,[*]N1CCN([*])C1=O,0.30085453,False
8660,N#Cc1cccc(N2CCN(CCC3(O)CCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.5512429,False
8661,N#Cc1cccc(N2CCN(CCN3CCN(CC(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8223241,False
8662,Nc1cccc(N2CCN(CCN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.90449405,False
8663,O=C(NCC=CCN1CCN(c2c[nH]c(-c3ccccc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40053955,False
8664,O=C(NCC=CCN1CCN(c2ccc(O)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45857322,False
8665,O=C1N(CCN2C3CCCC2Cc2ccccc2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5953892,False
8666,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)C(O)CCCC2,[*]N1CCN([*])C1=O,0.75965446,False
8667,O=C1N(CCNCC2CCCCC2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.25318015,False
8668,O=C1N(Cc2cc3ccccc3s2)CCN1c1cccc(O)c1,[*]N1CCN([*])C1=O,0.28389055,False
8669,CC(c1ccccc1)N1CCC(CN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.39739183,False
8670,CC12CCC(CN1Cc1ccccc1)C(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.5722105,False
8671,CCCCN(c1ccsc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48342812,False
8672,CCCCc1ccc(F)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24230845,False
8673,CCCN(CCC)C1COc2c(cccc2C(=O)c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.61220837,False
8674,CCCN(O)C1COc2c(CC(C)C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5794166,False
8675,CCCN1CCCc2ccc(CN3CCN(c4cccc(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.48724255,False
8676,CCN(CC)COc1c(OC)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24492505,False
8677,CCN1CCCC1CNC(=O)c1c(C)ccc(O)c1OOSC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7338708,False
8678,CCN1CCCC1CNC(=O)c1c([N+](=O)[O-])ccc(Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6231866,False
8679,CCc1ccc(C)c(OCCCF)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16137107,False
8680,CCc1ccc(O)c(C(=O)NCC2CCCN2Cl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.28042382,False
8681,CCc1ccc(OC)c(C(=O)NCC2CCCN2[SH](C)(=O)O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22724344,False
8682,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C2=CC=C[N+](C)C(=O)C=C2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37574977,False
8683,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92466193,False
8684,COc1cccc(Cl)c1N1CCN(CC=CCNC(=O)c2ccccc2Oc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38349128,False
8685,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccccc3)cs2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34375536,False
8686,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cccnc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.444215,False
8687,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cc(Cl)ccc4Cl)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5971737,False
8688,O=C(NCC=CCN1CCN(c2c[nH]c3ccc(O)cc23)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5510208,False
8689,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1C1CC=COC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73913807,False
8690,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1sc2ccccc2c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9103117,False
8691,O=C(NCC=CCN1CCN(c2cccn2-c2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42275617,False
8692,O=C(NCC=CCN1CCN(c2ccco2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36467072,False
8693,O=C1N(CCN2C3CCCCCCC2CC3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.47725487,False
8694,O=Cc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Br)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8088395,False
8695,CC(C)NCC1(N2CCN(c3ccccc3)C2=O)CCc2ccccc21,[*]N1CCN([*])C1=O,0.33183116,False
8696,CC1(C)CCC(CN2CCN(c3ccc(Cl)cc3)C2=O)NC1,[*]N1CCN([*])C1=O,0.4099027,False
8697,CCCc1cccc2c1OCC(N(CCC)C1CC(=O)c3ccoc3C1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4666864,False
8698,CCc1ccc(C)c(C(=O)NCC2CCCN2OSC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17965649,False
8699,CCc1cccc2c1OCC(N(CC)OC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.52543944,False
8700,CN(CCN1CCN(c2cccnc2)C1=O)Cc1ccc(F)cc1,[*]N1CCN([*])C1=O,0.5302663,False
8701,COc1c(C(=O)NCCN2CCN(c3ccc([N+](=O)OC)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.80820835,False
8702,COc1cc(Br)c(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9144647,False
8703,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(-c4ccccn4)cc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3946605,False
8704,COc1cccc(C)c1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84629935,False
8705,COc1cccc(CC2CCC(N3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CN2)c1,[*]N1CCN([*])C1=O,0.3840616,False
8706,COc1cccc(N2CCN(CCN3COc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.76896375,False
8707,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2N2CCOCC2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7309346,False
8708,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccnc3cccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8847739,False
8709,Cc1ccc2c(c1)CN(CCN1CCN(c3ccc(C#N)cc3)C1=O)C2,[*]N1CCN([*])C1=O,0.6354828,False
8710,Cc1ccccc1CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7846388,False
8711,Cc1ncc(CN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)s1,[*]N1CCN([*])C1=O,0.68627656,False
8712,O=C(Cc1cccc(Cl)c1Cl)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7182599,False
8713,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(F)n3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.469953,False
8714,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2OCCF)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64401084,False
8715,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2nc(CF)c[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89745814,False
8716,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1c[nH]c(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77595645,False
8717,O=C1N(CCN2C=Cc3ccsc3CC2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.36125216,False
8718,O=C1N(CCN2CC3CCCC2Cc2ccccc2C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.49740517,False
8719,O=C1N(CCN2CCCCCC2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.85339165,True
8720,O=C1N(Cc2cccc(Cl)c2)CCN1Cc1ccc2c(c1)NCc1ccccc1[S+]2[O-],[*]N1CCN([*])C1=O,0.379773,False
8721,O=C1N(c2ccccc2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.22041187,False
8722,C=Cc1ccc(CN(CC)C2COc3c(CCC)cccc3C2)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.61537987,False
8723,CC(C)N1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.35907498,False
8724,CC1(CN2CCN(c3cccc(Cl)c3)C2=O)CCCCC1,[*]N1CCN([*])C1=O,0.43133792,False
8725,CCCCN(CC)C1COc2c(cccc2S(C)(=O)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5207755,False
8726,CCCCN(Oc1cccc(C(F)(F)F)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48294306,False
8727,CCCN(CO)C1COc2c(cccc2C2CCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.63334566,False
8728,CCCN(Cc1cccs1)C1COc2c(COC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5333016,False
8729,CCOc1c(O)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.70757085,False
8730,CN1Cc2ccc(N3CCN(CC4Cc5ccccc5C4)C3=O)cc2C1,[*]N1CCN([*])C1=O,0.6420846,False
8731,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cc(O)cc(Cl)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.42916632,False
8732,COc1c(C(=O)NCCN2CCN(c3c(Cl)cccc3Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.84318924,False
8733,COc1c(C(=O)NCCN2CCN(c3ccoc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7232846,False
8734,COc1ccc2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)nc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8189484,False
8735,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccns3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49673232,False
8736,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Cl)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4742336,False
8737,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2Oc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89543957,False
8738,COc1ccccc1Oc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36706045,False
8739,Cc1ccc(N2CCN(CC3Cc4ccccc4O3)C2=O)cc1,[*]N1CCN([*])C1=O,0.5068482,False
8740,Cc1ccc(N2CCN(CCCN3Cc4ccccc4C3)C2=O)s1,[*]N1CCN([*])C1=O,0.80564296,False
8741,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)s2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8911368,False
8742,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34376022,False
8743,N#Cc1ccc2c(c1)CCN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.7396863,False
8744,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1OCCc2ccccc21,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73931205,False
8745,O=C1N(CC2CNCc3ccccc32)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.4912642,False
8746,O=C1N(CCN2C3CCCCC2CCC3)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.5138418,False
8747,O=C1N(CCN2C=Cc3ccccc3C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5671119,False
8748,O=C1N(CCN2CCC3CCC(CC3)C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.8464512,False
8749,O=C1N(CCN2CCCC(C(F)(F)F)CC2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.776151,False
8750,CC(C)N1CCN(CCN2CCN(c3cccc(C(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8871039,False
8751,CC(C)c1ccccc1CN1CCN(C2CCCNC2)C1=O,[*]N1CCN([*])C1=O,0.36302745,False
8752,CCCc1cccc2c1OCC(N(CC)Cc1cnco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5052837,False
8753,CCCc1cccc2c1OCC(N(CCC)Cc1ccc(F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.7449434,False
8754,CCCc1cccc2c1OCC(N(CCC)OS(=O)(=O)C(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.66432095,False
8755,CCN(C)CC1CCCCC1N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.40543923,False
8756,CCc1ccc(F)c(OO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2090831,False
8757,CN(CN1CCN(c2cccc(Cl)c2)C1=O)OCC1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.5060109,False
8758,CN(Cc1ccc(F)cc1)CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.35889912,False
8759,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.726074,False
8760,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(Cc3ccccc3)ccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5661356,False
8761,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cccc(C)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3762528,False
8762,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(O)cc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6175384,False
8763,Cc1cc(N2CCN(CC3CCNCC3)C2=O)ccc1Cl,[*]N1CCN([*])C1=O,0.44736004,False
8764,Cc1ccc(C)c(CN2CCN(c3cccc(N(C)C)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.31018826,False
8765,Cc1ccc(N2CCN(CC3CCN(C(C)C)CC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.3109644,False
8766,N#Cc1cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)ccn1,[*]N1CCN([*])C1=O,0.8629768,False
8767,N#Cc1cccc(N2CCN(CCN3C4CCCC3Cc3ccccc3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.65623015,False
8768,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1ccc(-c2ccsc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4500576,False
8769,O=C(NCC=CCN1CCN(c2ccc(Oc3ccccc3OCCF)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44140193,False
8770,O=C(NCC=CCN1CCN(c2ccc([N+](=O)[O-])s2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39458546,False
8771,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccccc2)on1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71593356,False
8772,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(F)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82351065,False
8773,O=C1N(CC2CC3CCCCN3C2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.40697032,False
8774,O=C1N(CC2CCCCN2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.42805648,False
8775,O=C1N(CCN2CCC(c3cccc(Cl)c3)CC2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.78348136,False
8776,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc2c(c1)NCC2,[*]N1CCN([*])C1=O,0.743401,False
8777,O=C1N(c2ccc(CCF)cc2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.3240592,False
8778,CCCCCN(CC)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4464468,False
8779,CCCN(CCC)C1COc2c(cccc2-c2ccc(CO)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7223673,False
8780,CCCOc1c(OC)ccc(Br)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.30185118,False
8781,CCCc1cccc2c1OCC(N(CCC)C(=O)c1cc3ccccc3[nH]1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.38357297,False
8782,CCN(C)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.85899097,False
8783,CCc1ccc(C)c(OC)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18302499,False
8784,CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.86741126,False
8785,CN1Cc2ccccc2CC(CN2CCN(c3ccc(Cl)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.5188346,False
8786,CNCC12CCC(CC(C)(N3CCN(c4cccc(OC)c4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.31991687,False
8787,CNc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42115754,False
8788,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2[N+](=O)[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37484318,False
8789,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(F)cc3)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6769136,False
8790,COc1ccc(OCCF)cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5380938,False
8791,COc1ccc2ccc(N3CCN(CC=CCNC(=O)c4cccc(OCCF)c4)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35394132,False
8792,COc1cccc(-c2cccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39252028,False
8793,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(CNC(=O)c3ccccc3Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39709303,False
8794,C[N+](C)(C)CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.73582715,False
8795,Cc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.7898464,False
8796,O=C(NCC=CCN1CCN(c2cc3ccccc3o2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44369394,False
8797,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64030033,False
8798,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(Br)cc2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9460721,False
8799,O=C(OC(F)F)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.60832906,False
8800,O=C1N(CC2CCCNC2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.29930615,False
8801,O=C1N(CCN2CC3CCCc4ccccc4CC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.76626694,False
8802,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.92174274,False
8803,O=C1N(CCN2CCCC2COc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.77817184,False
8804,O=C1N(CCN2CCCc3ccccc32)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4679262,False
8805,CC1(C)CC2CC(C)(C)C(CN2CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.7783865,False
8806,CC12CCCCN(CCN3CCN(c4ccccc4)C3=O)C1CC2,[*]N1CCN([*])C1=O,0.53512925,False
8807,CCCCN(CC)C1COc2c(cccc2CS(=O)(=O)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.44345653,False
8808,CCCc1cccc2c1OCC(N(CC(C)=O)c1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.35709864,False
8809,CCOc1c(O)ccc(SC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.26137617,False
8810,CCc1ccc(CC)c(C(=O)NCC2CCCN2O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19495763,False
8811,CCc1cccc2c1OCC(N(CC)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.39778516,False
8812,CN1CCCCC(CN2CCN(c3ccc(F)c(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.43083975,False
8813,CNc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77935165,False
8814,COCCN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8424416,False
8815,COc1c(C(=O)NCCN2CCN(c3cccc(Br)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8251746,False
8816,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Oc3ccc(OCCF)cc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43807632,False
8817,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C)cc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8350515,False
8818,COc1ccccc2cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4282083,False
8819,Cc1cc(CN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)cs1,[*]N1CCN([*])C1=O,0.7279476,False
8820,O=C(NCC=CCN1CCN(c2cc([N+](=O)[O-])ccn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32655206,False
8821,O=C(NCC=CCN1CCN(c2cc3ccc(OCCF)cc3[nH]2)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5199455,False
8822,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1)NC(=O)C1CC(c2ccccc2)c2ccccc21,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53276,False
8823,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Cl)c(F)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92213976,False
8824,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccns2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85573727,False
8825,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(CO)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.977101,False
8826,O=C(NCC=CCN1CCN(c2cncc(-c3ccc(O)cc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5211503,False
8827,O=C(NCC=CCN1CCN(c2sccc2Cl)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4304403,False
8828,O=C(NCCN1CCN(O)CC1)c1cc(Br)c2ccccc2c1-c1ccccc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38408414,False
8829,O=C1N(CN2C3CCCCCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.57235307,False
8830,O=C1N(CNCCc2cc3ccccc3s2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4397968,False
8831,O=C1N(c2ccc(F)cc2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.28201464,False
8832,CC(C)(C)c1ccc(N2CCN(CC3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.5835368,False
8833,CC(C)N1CCN(CCN2CCN(c3ccccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.70519304,False
8834,CC1C2CCCC1(CN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.64047366,False
8835,CCCCN(CC)C1COc2c(C#Cc3ccco3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4683039,False
8836,CCN(CCCCF)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5864068,False
8837,CCc1cccc2c1OCC(N(CC=O)Cc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.46748382,False
8838,CN(Cc1cccs1)CN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.3100135,False
8839,COC(=O)c1cccc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.30012307,False
8840,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccccc2-c2ccccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65974957,False
8841,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccccc3)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56027794,False
8842,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5085432,False
8843,COc1ccccc1N1CCN(CC=CCNC(=O)NC(=O)c2ccc(-c3ncccc3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83501035,False
8844,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(F)cc3)o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88973916,False
8845,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cnc(O)[nH]3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94917953,False
8846,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84992814,False
8847,Cc1c[nH]c(N2CCN(CC=CCNC(=O)c3c[nH]c(-c4ccc(O)cc4)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.26315436,False
8848,N#Cc1cccc(CNC(=O)CN2CCN(c3ccc4occc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.1362313,False
8849,O=C(NCC=CCN1CCN(c2cc(Cl)cc([N+](=O)[O-])c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40607288,False
8850,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42105585,False
8851,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8639442,False
8852,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3904672,False
8853,O=C1N(CCN2CC(CO)Cc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5327546,False
8854,O=C1N(CCN2CCC(c3ccc(Cl)cc3)CC2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8523247,False
8855,O=C1N(CCNC2CCc3sccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.47960144,False
8856,O=C1N(CCNCC23CCNCC2Cc2ccccc2CC3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.4514614,False
8857,C=Cc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3851348,False
8858,CCCc1cccc2c1OCC(N(CCC)OC(=O)c1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.42690092,False
8859,CCOc1c(COC)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17135242,False
8860,CCc1ccc(Br)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.90490746,False
8861,CCc1ccc(O)c(OCl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24373858,False
8862,CNc1cc(Br)ccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4474604,False
8863,COC1=C(C)OCC(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)=CC=CC=C1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5976892,False
8864,COCC1CCC2c3ccccc3N(CCN3CCN(c4cccc(Cl)c4)C3=O)C2C1,[*]N1CCN([*])C1=O,0.66053295,False
8865,COc1cc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8323331,False
8866,COc1cc(C)ccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54935205,False
8867,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2cccc(-c3ccccc3F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5902913,False
8868,COc1cc(F)cc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47097972,False
8869,COc1ccc2[nH]cc(N3CCN(CC=CCNC(=O)c4cccc(OC)c4OC)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5617427,False
8870,COc1cccc(C(C)N2CCN(Cc3cccc(C)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.31600657,False
8871,COc1cccc(C2CCCCN(CN3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.53678733,False
8872,COc1ccccc1C(=O)C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83266276,False
8873,COc1ccccc1C=CN1CCN(CC=CCNC(=O)c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.25005993,False
8874,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cnsc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75684065,False
8875,Cc1ccc2c(c1)CN(CCN1CCN(c3csc4ccccc34)C1=O)C2,[*]N1CCN([*])C1=O,0.60612786,False
8876,O=C(NCC=CCN1CCN(C2=Cc3ccccc3Cc3ccccc3C=C2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35105613,False
8877,O=C(NCC=CCN1CCN(c2ccc(-c3cccs3)cc2)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5044829,False
8878,O=C(NCC=CCN1CCN(c2ccc(-c3ncccn3)cc2)CC1)c1cc(Cl)ccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54475266,False
8879,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1cc2cc(OCCF)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.473341,False
8880,O=C(NCC=CCN1CCN(c2cccnc2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7157594,False
8881,O=C1N(CCN2CC3CCc4ccccc4CC2CC3)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.60610646,False
8882,O=C1N(CCN2CCCc3sccc3C2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.62649167,False
8883,O=C1N(c2ccccc2Cl)CCN1C1CCc2sccc2C1,[*]N1CCN([*])C1=O,0.3604605,False
8884,CCCN(CF)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5739279,False
8885,CCCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.60560167,False
8886,CCCc1cccc2c1OCC(N(CCOC)c1ccc(F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.59525347,False
8887,CCc1ccc(C)c(C(=O)NCC2CCCN2S(C)(=O)=O)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.102348015,False
8888,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6728964,False
8889,COc1c(OCCF)cccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.937399,False
8890,COc1cc(Cl)cc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.85431755,False
8891,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9105106,False
8892,COc1ccc2[nH]c(N3CCN(CC=CCNC(=O)c4cccc(OCCF)c4)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34343982,False
8893,COc1cccc(N2CCN(CCN3c4ccccc4CC3C)C2=O)c1,[*]N1CCN([*])C1=O,0.5645331,False
8894,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccn3)s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3665835,False
8895,COc1ccsc1-c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.42500964,False
8896,Cc1ccc(CN2CCN(c3ccc(C(C)C)cc3)C2=O)cc1,[*]N1CCN([*])C1=O,0.20058006,False
8897,Cc1ccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.7323739,False
8898,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1csc2ccccc12,[*]N1CCN([*])C1=O,0.17191371,False
8899,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NC(=O)C1c2ccccc2-c2ccccc21,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85695887,False
8900,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(C(F)(F)F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87189656,False
8901,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cn[nH]c1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79215837,False
8902,O=C(NCC=CCN1CCN(c2cccc(O)c2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4975116,False
8903,O=C1N(CC2CCN(Cc3cccs3)c3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5429107,False
8904,O=C1N(CCN2CCC(OC(F)(F)F)CC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.8910786,False
8905,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(Br)c1,[*]N1CCN([*])C1=O,0.9083734,False
8906,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccccc1COC(F)(F)F,[*]N1CCN([*])C1=O,0.7649989,False
8907,O=C1N(CCNCc2cnc3ccccc3c2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.28949535,False
8908,O=C1N(Cc2cc3ccccc3s2)CCN1C1=CC=Cc2sccc2C1,[*]N1CCN([*])C1=O,0.3026791,False
8909,O=C1NCCc2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc21,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43786687,False
8910,C#CCN1CC2CC(CCCN3CCN(c4cccc(Cl)c4)C3=O)C(COC)C2C1,[*]N1CCN([*])C1=O,0.7150238,False
8911,CC(C)N1CCN(CCN2CCN(c3ccc(Cl)cc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.67540085,False
8912,CC1(C)CCC(CN2CCN(c3ccccc3)C2=O)NC1,[*]N1CCN([*])C1=O,0.47471127,False
8913,CC1OOCC1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.760653,False
8914,CCCN(CCC)C1COc2c(cccc2C(=O)c2cocc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6541613,False
8915,CCOc1cccc(-c2ccc(CC(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7151489,False
8916,CN(C)c1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9382629,False
8917,CN1CCCCc2cc(N3CCN(c4cccc(Cl)c4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.43762815,False
8918,COCC1CCC(N2CCN(c3cc(Cl)ccc3Cl)C2=O)N1,[*]N1CCN([*])C1=O,0.28897595,False
8919,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(Cl)cc2Cl)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4542818,False
8920,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccc(F)cc4)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38595298,False
8921,COc1cccc(N2CCN(CC3CCCOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.38453507,False
8922,COc1cccc(N2CCN(CCN3CCCC(C(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8563738,False
8923,COc1ccccc1-c1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)on1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8069797,False
8924,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3nc(O)cnc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41173863,False
8925,Cc1ccc(-c2cccc3c2OCC(N(O)CC(C)C)C3)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.30348474,False
8926,Nc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9354221,False
8927,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50889444,False
8928,O=C(NCC=CCN1CCN(c2ccc(-c3ncccc3O)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49461636,False
8929,O=C(NCC=CCN1CCN(c2ccc(O)cn2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38750666,False
8930,O=C(NCC=CCN1CCN(c2ccc3ccccc3c2)CC1)c1ccc(OCCF)c(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45151776,False
8931,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccccc2)co1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8724326,False
8932,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1CO,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9495162,False
8933,O=C(NCC=CCN1CCN(c2cccc([N+](=O)O)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43300024,False
8934,O=C(NCC=CCN1CCN(c2ccccc2O)CC1)c1cccc(Cl)c1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7133542,False
8935,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1[nH]c(O)cc1-c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8990075,False
8936,O=C1N(Cc2cccc(Cl)c2)CCN1Cc1cccs1,[*]N1CCN([*])C1=O,0.31496537,False
8937,CC(CN1CCN(Cc2cccc(Cl)c2)C1=O)N1CCCCC1,[*]N1CCN([*])C1=O,0.182233,False
8938,CCCN(CCC)C1COc2c(cccc2C(=O)c2ccc[nH]2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6573969,False
8939,CCCN(CCCCN1CCC(=O)C2(CCCC2)CC1=O)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6132035,False
8940,CCCN1CCN(CCN2CCN(c3cccc(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.76586586,False
8941,CCN1CCCC1CNC(=O)c1c(C)ccc(F)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.74509615,False
8942,CCOc1c(Br)ccc(CCCF)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22250424,False
8943,CCOc1c(C)ccc(Br)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.66228515,False
8944,CCc1ccc(C)c(C(=O)NCC2CCCN2O)c1OF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.13747512,False
8945,CCc1ccc(CO)c(C(=O)NCC2CCCN2C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24783838,False
8946,CCc1cccc2c1OCC(N(CC)C(=O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.24755055,False
8947,CN1CC2CC(C1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.80848724,False
8948,COCC1CCN(CN2CCN(c3cccc(OC)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.6306283,False
8949,COc1c(C(=O)NCCN2CCN(c3c(N)cccc3Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.85657626,False
8950,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc([N+](=O)[O-])cn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3548741,False
8951,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3cccc(OC)c3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44653702,False
8952,Cc1ccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)s1,[*]N1CCN([*])C1=O,0.69603336,False
8953,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85385,False
8954,N#CCc1cccc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.4441188,False
8955,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(OCCF)cc3)cc2)CC1)c1csc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4369803,False
8956,O=C(NCC=CCN1CCN(c2ccc(Oc3ccccc3)cc2)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44847438,False
8957,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccsc2)cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8368509,False
8958,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94914395,False
8959,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9268782,False
8960,O=C1N(CC2CCCOC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.32563367,False
8961,O=C1N(CCN2CCCCCC2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.65505713,False
8962,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(OC(F)(F)F)cc1,[*]N1CCN([*])C1=O,0.8341516,False
8963,O=C1N(CCNCc2cc3ccccc3s2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.31102997,False
8964,O=C1N(c2ccccc2)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.2798045,False
8965,O=C1N(c2ccccc2)CCN1c1cccc2c1CCCCCC2,[*]N1CCN([*])C1=O,0.29009926,False
8966,CC(C)Oc1cccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8361179,False
8967,CC(c1cccc(Cl)c1)N1CCN(CCN2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.7362212,False
8968,CC1CCCN(CCN2CCN(c3ccc(Cl)cc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.48829946,False
8969,CCCCN(CC)C1COc2c(cccc2C(C)(O)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46841237,False
8970,CCCc1cccc2c1OCC(N(CC)CC(=O)c1ccco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3164024,False
8971,CCOc1c(OC)ccc(SO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23111884,False
8972,CCc1cccc2c1OCC(N(CC(C)C)C(=O)c1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.18470845,False
8973,CN(Cc1csc2ccccc12)CN1CCN(c2cccc3sccc23)C1=O,[*]N1CCN([*])C1=O,0.34941602,False
8974,CN1CC2CCC(Cc3ccccc31)N(CCN1CCN(c3cccs3)C1=O)C2,[*]N1CCN([*])C1=O,0.44408035,False
8975,COCC1Cc2ccccc2N1CN1CCN(Cc2ccc(C)cc2)C1=O,[*]N1CCN([*])C1=O,0.4533732,False
8976,COc1c(Br)ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5280709,False
8977,COc1c(C(=O)NCCN2CCN(c3ccc(C)s3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8077541,False
8978,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ncccc3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39826927,False
8979,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C(=O)c3cccs3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93720347,False
8980,Cc1cccc(CN2CCN(c3cccc(Cl)c3)C2=O)n1,[*]N1CCN([*])C1=O,0.37675172,False
8981,Cc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31003395,False
8982,N#Cc1cc(Cl)ccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8669771,False
8983,Nc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3F)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7433788,False
8984,O=C(NCC=CCN1CCN(c2ccc(-c3c[nH]c(O)c3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4521242,False
8985,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1)c1cccc(C(F)(F)F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48266673,False
8986,O=C(NCC=CCN1CCN(c2ccc(Oc3cccc(F)c3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45603383,False
8987,O=C1N(CC2CCCCN2)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.5127898,False
8988,O=C1N(CCN2CC3CCC(Cc4ccccc4)C3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7331272,False
8989,O=C1N(CCN2CC3CCCC2CCc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5944114,False
8990,C=C(C)CN(CC)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4893571,False
8991,C=CCOc1c(Br)ccc(Br)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2223278,False
8992,CC(C)NCc1ccoc1N1CCN(c2cccs2)C1=O,[*]N1CCN([*])C1=O,0.15071225,False
8993,CC(C)n1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7490148,False
8994,CC1CCc2ccc(CCN3CCN(c4cccc(Cl)c4)C3=O)cc2NC1=O,[*]N1CCN([*])C1=O,0.6643299,False
8995,CCCc1cccc2c1OCC(N(C)COC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5750292,False
8996,CCN(Cc1cccc(C)c1)CN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.2759754,False
8997,CCc1cccc2c1OCC(N(CC)Cc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4872102,False
8998,CN(CCN1CCN(c2ccccc2Cl)C1=O)CC1CCC2CC2CC1,[*]N1CCN([*])C1=O,0.42918414,False
8999,COCC1C2CCC1(CN1CCN(Cc3ccccc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.4411735,False
9000,COc1ccc(C(C)C)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88395,False
9001,COc1cccc(CN2CCCCCC2N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.42371893,False
9002,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)sc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8458036,False
9003,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc([N+](=O)[O-])ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53258866,False
9004,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48675597,False
9005,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccnnc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9881088,False
9006,Cc1ccc(N2CCN(CC34CCCC(CC3)C4(C)C)C2=O)s1,[*]N1CCN([*])C1=O,0.42353365,False
9007,N#Cc1cccc2c1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.8445319,False
9008,N[N+](=O)c1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8199028,False
9009,Nc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71910346,False
9010,O=C(CNCCO)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78045076,False
9011,O=C(NCC=CCN1CCN(c2c[nH]c(-c3ccc(Cl)cc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4760226,False
9012,O=C(NCC=CCN1CCN(c2ccc(Cl)c([N+](=O)[O-])c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45362264,False
9013,O=C(NCC=CCN1CCN(c2ccc3cc(O)ccc3c2)CC1)c1ccc(Cl)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47079068,False
9014,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(CNC(F)(F)F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94932705,False
9015,O=C1N(CCN2CC3CCCC2Cc2ccccc2C3)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5134939,False
9016,O=C1N(c2cccc(Cl)c2)CCN1C1CCCCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.45124632,False
9017,CC(C)C1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.32889253,False
9018,CC(C)N(CO)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40523905,False
9019,CC1(C)C2CCC1(CN1CCN(c3ccccc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.4437555,False
9020,CC1CN(CCN2CCN(c3cccc(Cl)c3)C2=O)C2CCCCC12,[*]N1CCN([*])C1=O,0.7260444,False
9021,CC1NCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1=O,[*]N1CCN([*])C1=O,0.7776193,False
9022,CCCCN(CC)C1COc2c(cccc2-c2ccc(C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42005745,False
9023,CCCCc1ccc(Br)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2771249,False
9024,CCCN(C(C)C)C1COc2c(cccc2-c2cccc3cc(OC)ccc23)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5287403,False
9025,CCCN(CC(C)C)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.55297476,False
9026,CCCN(CO)C1COc2c(CCCN3CCCC4(CCC(=O)C4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56346935,False
9027,CCCc1cccc2c1OCC(N(CC)CC(F)(F)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.63735193,False
9028,CCCc1cccc2c1OCC(N(CO)CN1C(=O)CC(C)(C)CC1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.38612735,False
9029,CCN(CC1CCCCC1)N1CCN(c2cc(Cl)ccc2F)C1=O,[*]N1CCN([*])C1=O,0.25404352,False
9030,CN(C)c1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75929546,False
9031,CN(Cc1ccco1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4311987,False
9032,COc1cccc(CN2CCN(C3CCNCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.38904765,False
9033,COc1ccccc1N1CCN(CC=CCNC(=O)C=CC=Cc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73842305,False
9034,Cc1ccc(O)cc1-c1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68625563,False
9035,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9434264,False
9036,N#Cc1cccc(N2CCN(c3cccc(CN4CCCCC4)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.39993718,False
9037,O=C(NCC=CCN1CCN(c2cc[nH]c2)CC1)c1cccc(OCCF)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4797965,False
9038,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2F)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5950529,False
9039,O=C(NCC=CCN1CCN(c2cccc(-c3ccc(Cl)cc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50258476,False
9040,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccc(F)cc2)c(O)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8835904,False
9041,O=C1N(Cc2cccc(Cl)c2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.3788512,False
9042,O=C1N(Cc2cccc3ccccc23)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4933382,False
9043,O=C1N(c2ccccc2)CCN1C1CCCC(C(F)(F)F)C1,[*]N1CCN([*])C1=O,0.3210106,False
9044,C=CN(CC(C)=O)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.24539559,False
9045,CC(C)N1CCN(CC(F)(F)F)C1=O,[*]N1CCN([*])C1=O,0.27142295,False
9046,CC(C)N1CCN(CCN2CCN(c3cc(Cl)ccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.71068615,False
9047,CC1C2CC(CC1(C)CN1CCN(c3cccc(F)c3)C1=O)N(CCc1ccccc1)C2,[*]N1CCN([*])C1=O,0.5246411,False
9048,CCCCN(CC)C1COc2c(cccc2-c2cccc(C(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53194463,False
9049,CCCc1cccc2c1OCC(N(CCC)c1ccsc1C(C)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.673873,False
9050,CCN1CCCC1CNC(=O)c1c(C)ccc(C)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.70233417,False
9051,CN1CCCCC1N1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.4068028,False
9052,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2occc2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33949667,False
9053,COc1c(C(=O)NCCN2CCN(c3cccc([O-])c3Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.83036166,False
9054,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccncc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7412297,False
9055,COc1c([O-])cccc1-c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37521222,False
9056,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3CF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40646467,False
9057,COc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4ccc(OCCF)cc4)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39207998,False
9058,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)cn2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38824588,False
9059,Cc1csc(CN2CCN(Cc3ccc(Cl)cc3)C2=O)n1,[*]N1CCN([*])C1=O,0.1870802,False
9060,N#Cc1ccc2cccc(N3CCN(c4cccc(N5CCNC5)c4)C3=O)c2c1,[*]N1CCN([*])C1=O,0.19075832,False
9061,NC1CCCCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.43891445,False
9062,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c(=O)[nH]c3ccccc3c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83250797,False
9063,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8072058,False
9064,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(-c2ccccc2)co1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8787135,False
9065,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1Cc1ccccc1Cl,[*]N1CCN([*])C1=O,0.78411967,False
9066,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)C(F)(F)CO2,[*]N1CCN([*])C1=O,0.7825601,False
9067,O=C1N(Cc2ccc3c(c2)C(O)CCCC3)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.33270094,False
9068,O=C1N(c2cccc(C(F)(F)F)c2)CCN1C1CCCNCC1,[*]N1CCN([*])C1=O,0.3189007,False
9069,C=CCc1ccc(C)c(OO)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16131431,False
9070,CC(C)c1cccc(CN2CCN(C3CCNCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.33694294,False
9071,CC(F)(CN1Cc2ccccc2C1)CN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.6349647,False
9072,CC1CC2CC(CN3CCN(c4cccc(Cl)c4)C3=O)(C1)CN2C,[*]N1CCN([*])C1=O,0.69476104,False
9073,CCCCN(CCC)C1COc2c(cccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.74810505,False
9074,CCCCN(CCc1ccc(OC)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5698693,False
9075,CCCOc1c(C)ccc(Br)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16885166,False
9076,CCCc1cccc2c1OCC(N(CC)CC(F)(F)c1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.64107084,False
9077,CCN(CO)C1COc2c(CC(=O)OC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.27131963,False
9078,CCOc1c(CC)ccc(O)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.262892,False
9079,CCc1ccc(C)c(C(=O)NCC2CCCN2S)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18142901,False
9080,CCc1ccc(C)c(OS)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.69509256,False
9081,CCc1cccc2c1OCC(N(CO)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.30877784,False
9082,CCc1cccc2c1OCC(N(Cc1cocn1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.36015528,False
9083,COc1c(C(=O)NCCN2CCN(c3ccccc3Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.9090045,True
9084,COc1cc(Cl)ccc1C(=O)NCC=CCN1CCN(c2cc(Br)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51046836,False
9085,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94641346,False
9086,COc1ccc(Oc2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.370332,False
9087,COc1ccccc1N1CCN(CC=CCNC(=O)N2CCN(c3ccccc3OC)CC2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64993244,False
9088,COc1ccccc1N1CCN(CC=CCNC(=O)c2csc(-c3ccccn3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8982407,False
9089,Cc1cnccc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36625466,False
9090,N#CC1CCNC(N2CCN(c3cccc(C(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.32585418,False
9091,Nc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9488337,False
9092,Nc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89881825,False
9093,O=C(NCC=CCN1CCN(c2ccc3[nH]c(O)cc3c2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45692265,False
9094,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1sccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85884535,False
9095,O=C1N(CCN2CC3CCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8642665,False
9096,O=C1N(CCOCC2CCCN2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.4347331,False
9097,CC(C)NCc1cccc(CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3516145,False
9098,CC1CCN(CCN2CCN(c3cccc(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.90078706,False
9099,CCCN(CC1CCCC2(CC(=O)NC(=O)C2)C1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45664087,False
9100,CCCN(CCC)C1COc2c(cccc2C(=O)c2c[nH]c3ccccc23)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.63284147,False
9101,CCCN(c1ccoc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57810104,False
9102,CCCc1cccc2c1OCC(N(CCC)c1ccc(C(=O)OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.306885,False
9103,CCN1CCCC1CNC(=O)c1c(C)ccc(CCO)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6962687,False
9104,CCN1CCCC1CNC(=O)c1c(OC)ccc(C(C)=O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.91079,False
9105,CCOc1ccc(CC)c(OC)c1C(=O)NCC1CCCN1SC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25227952,False
9106,CCc1cccc2c1OCC(N(C)Cc1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.47271398,False
9107,COCCN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(OC)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.27141696,False
9108,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6332131,False
9109,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(F)n3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40659568,False
9110,COc1ccc(F)cc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7153814,False
9111,COc1ccccc1-c1c(C(=O)NCCN2CCN(N)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4380693,False
9112,COc1ccccc1C(=O)NCC=CCN1CCN(c2scc3cc(OCCF)ccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40238863,False
9113,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3ccccc3cn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89639264,False
9114,Cc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35407892,False
9115,Cc1ccc(N2CCN(Cc3cc4ccccc4s3)C2=O)c(C)n1,[*]N1CCN([*])C1=O,0.22059256,False
9116,Cc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72224545,False
9117,NC(c1ccccc1)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82044834,False
9118,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(O)c2ccccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93617314,False
9119,O=C(NCc1cccs1)N1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.08539692,False
9120,O=C1N(CCN2CCCCCCC2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.679188,False
9121,O=C1N(CCN2Cc3ccccc3C2)CCN1c1c(F)cccc1Cl,[*]N1CCN([*])C1=O,0.85098726,False
9122,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.9193155,False
9123,O=C1N(CCc2ccccc2Cl)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.68235046,False
9124,O=C1N(Cc2cccs2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.31334853,False
9125,C=CCN1CCCC1CNC(=O)c1c(OC)ccc(CCCC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6080758,False
9126,CC(C)(C)NCCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.57635987,False
9127,CC(C)(C)c1ccc(CN2CCN(c3cccc(Cl)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.48507637,False
9128,CC(c1ccccc1)N1CCN(CCN2CCCc3ccsc3C2)C1=O,[*]N1CCN([*])C1=O,0.6126064,False
9129,CCCCN(CC)C1COc2c(cccc2C(=O)c2cc(C(F)(F)F)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.38388196,False
9130,CCCCN(CC)C1COc2c(cccc2S(=O)(=O)[O-])C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4317423,False
9131,CCCc1cccc2c1OCC(N(CC)Cc1ccc(OC(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.60741794,False
9132,CCCc1cccc2c1OCC(N(Cc1ccc(C(F)(F)F)cc1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5791305,False
9133,CCOc1c(Br)ccc(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8940814,False
9134,CCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1SC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20217839,False
9135,CCOc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8326667,False
9136,CCc1cccc2c1OCC(N(CC(C)C)NC(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.19469862,False
9137,CN(C)Cc1cc2ccccc2cc1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.40426642,False
9138,CN(C)c1ccc(N2CCN(CC=CCNC(=O)Oc3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36139953,False
9139,COc1c(C(=O)NCCN2CCN([SH](=O)([O-])c3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.41240487,False
9140,COc1ccc2cc(N3CCN(CC=CCNC(=O)c4cccc(OCCF)c4)CC3)[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35885337,False
9141,COc1ccccc1N1CCN(CC=CCNC(=O)C=Cc2cccnc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7918898,False
9142,Cc1c(N)cccc1N1CCN(CCN2CCCCCC2)C1=O,[*]N1CCN([*])C1=O,0.6140652,False
9143,Cc1cncc(C2CCN(CCN3CCN(c4ccccc4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.7510009,False
9144,N#Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1C#N,[*]N1CCN([*])C1=O,0.88063353,False
9145,Nc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Br)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8343752,False
9146,O=C1N(CC2Cc3ccccc3C2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.57065195,False
9147,O=C1N(CCN2CC3Cc4ccccc4CCCCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6808065,False
9148,O=C1N(CCN2CCC3CCC2Cc2ccccc2C3)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.64289325,False
9149,O=C1N(CCN2CCCC2O)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.69399077,False
9150,O=C1N(CCNC2CCc3ncsc3CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.43504325,False
9151,O=C1N(CNCc2cccc(Cl)c2)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.275459,False
9152,CC(C)c1ccccc1N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.60626537,False
9153,CCCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6824395,False
9154,CCCN1CCN(C(C)C)CC1CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.38289264,False
9155,CCCc1ccc(Cl)c(C(=O)NCC2CCCN2O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21085602,False
9156,CCc1cccc2c1OCC(N(CC(C)C)c1cc(C(F)(F)F)co1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.42832583,False
9157,CNCC1c2ccccc2CCC1N1CCN(c2cccnc2)C1=O,[*]N1CCN([*])C1=O,0.41953534,False
9158,COc1c(C(=O)NCCN2CCN(c3cccc([N+](=O)[N+](=O)[O-])c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.787382,False
9159,COc1cc(Cl)cn1CCN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.6318192,False
9160,COc1ccc(Br)cc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.61655146,False
9161,COc1ccc2c(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)ccnc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8463046,False
9162,COc1cccc2cc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37331164,False
9163,COc1ccccc1Oc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7311399,False
9164,Cc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31874722,False
9165,Cc1sccc1N1CCN(CC2CCCCN2C)C1=O,[*]N1CCN([*])C1=O,0.36648622,False
9166,N#Cc1cccc2c1CCC(NCCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.63353324,False
9167,O=C(CCOc1ccccc1Cl)NCC=CCN1CCN(c2cc3ccccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3066709,False
9168,O=C(NCC=CCN1CCN(c2cc(-c3ccccc3)ccc2CO)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53593576,False
9169,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1)c1ccc(-c2ccc(O)nc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55919796,False
9170,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c(O)cccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85887724,False
9171,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(Br)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90046746,False
9172,O=C1N(CC2CCC3Cc4ccccc4CCCCN3C2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.4781723,False
9173,O=C1N(CNC(=O)C23CCCC(CC2)CC3)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.23371705,False
9174,O=C1N(CNCC23CCCC2CCNC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.46214467,False
9175,O=C1N(c2cccc(Cl)c2)CCN1C1CCc2ccccc2O1,[*]N1CCN([*])C1=O,0.5032255,False
9176,CCCCCN(OC)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5781316,False
9177,CCCCN(CC)C1COc2c(cccc2C(=O)Cc2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37496045,False
9178,CCCN1Cc2ccccc2C(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.74514914,False
9179,CCCc1cccc2c1OCC(N(O)Cc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5274544,False
9180,CCN(CO)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3476303,False
9181,CCN1CCCC1CNC(=O)c1c(C)ccc(Cl)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6430312,False
9182,CCc1cccc2c1OCC(N(CC(C)C)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.29954615,False
9183,CN(CC#Cc1ccccc1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4916721,False
9184,CN(CCN1CCN(c2ccc3occc3c2)C1=O)Cc1cccs1,[*]N1CCN([*])C1=O,0.6907474,False
9185,CN1c2ccccc2CC2CCC1CC(N1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.42631748,False
9186,COCC1CC2CCC1CN(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.6006507,False
9187,COc1cc(Cl)ccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.76913875,False
9188,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)cc2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3985727,False
9189,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(F)c3)CC2)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.452317,False
9190,COc1ccc(Cl)cc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6159756,False
9191,COc1ccc([N+](=O)[O-])cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8820477,False
9192,COc1cccc(CN2CCN(Cc3cc4ccccc4s3)C2=O)c1,[*]N1CCN([*])C1=O,0.34829193,False
9193,Cc1ccc(N2CCN(CC3CCCCCN3)C2=O)cc1,[*]N1CCN([*])C1=O,0.30677167,False
9194,N#Cc1ccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)cc1F,[*]N1CCN([*])C1=O,0.80728257,False
9195,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1csc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42143914,False
9196,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2cccc(O)c2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92345333,False
9197,O=C(NCCN1CCN(c2ccccc2Cl)CC1)c1cc(Br)c2ccccc2c1O,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.85262793,False
9198,O=C1N(CC2CCCCN2)CCN1c1ccccc1OC(F)(F)F,[*]N1CCN([*])C1=O,0.38298535,False
9199,O=C1N(CC2CCNOC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5107535,False
9200,O=C1N(CCN2CCc3ccsc3C2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.60894614,False
9201,O=C1N(CCN2Cc3ccccc3CC3CCC2C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.49836195,False
9202,O=C1N(c2cccc(Cl)c2)CCN1C1COCCN1,[*]N1CCN([*])C1=O,0.33813423,False
9203,O=C1N(c2cccc(Cl)c2)CCN1c1cccc(C2CCCNC2)c1,[*]N1CCN([*])C1=O,0.45963645,False
9204,CC1Cc2cccc(N3CCN(c4ccc5ccsc5c4)C3=O)c2CC(C)C1,[*]N1CCN([*])C1=O,0.25424853,False
9205,CCC(C)c1cccc2c1OCC(N(CC)COC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5781008,False
9206,CCCCN(CC)C1COc2c(cccc2C(F)(F)c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.60087913,False
9207,CCCN(CC)C1COc2c(cccc2-c2cc[nH]c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71432185,False
9208,CCCc1ccc(C)c(C(=O)NCC2CCCN2C)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16746719,False
9209,CCN(CCC(C)C)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4533922,False
9210,CN1CC(CN2CCN(c3ccc(Cl)cc3)C2=O)c2ccccc2[S+]1[O-],[*]N1CCN([*])C1=O,0.4208117,False
9211,CN1CC2CCC1(C)CN(CCN1CCN(c3ccccc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.585131,False
9212,CN1CCN(CN2CCN(c3ccccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.5222704,False
9213,COc1ccc(C)c(C(=O)NCC2CCCN2C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21081282,False
9214,COc1cccc(Cl)c1N1CCN(CC=CCNC(=O)c2ccc(-c3cnccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35987136,False
9215,COc1ccccc1C(=O)NCC=CCN1CCN(NC(=O)c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.18966189,False
9216,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C(=O)c3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.949703,False
9217,CSc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.379386,False
9218,Cc1cc(N2CCN(CCN3CCCCCC3)C2=O)ccc1Cl,[*]N1CCN([*])C1=O,0.8032573,False
9219,Cc1ccc2c(c1)CN(CCN1CCN(c3cccc(C#N)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.7323374,False
9220,O=C(NCC=CCN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60914403,False
9221,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(F)n3)cc2)CC1)c1c(F)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34563848,False
9222,O=C(NCC=CCN1CCN(c2ccc3cc(O)ccc3n2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42171702,False
9223,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(CO)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9749257,False
9224,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)OCO2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7419751,False
9225,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccn2cccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8857111,False
9226,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(O)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92037714,False
9227,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc2ccc(O)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95032734,False
9228,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(-c2ccc(O)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8858751,False
9229,O=C1N(CC2CCCCN2)CCN1c1cccc(O)c1,[*]N1CCN([*])C1=O,0.5604646,False
9230,O=C1N(CCN2COC3CCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7440749,False
9231,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccccc1-c1ccccc1,[*]N1CCN([*])C1=O,0.7465597,False
9232,CC(=O)CN(C(C)C)C1COc2c(cccc2C2CCCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.25420043,False
9233,CC1(C)CCC(CN2CCN(c3cccc(Cl)c3)C2=O)NC1,[*]N1CCN([*])C1=O,0.63411826,False
9234,CC1(C)CNC(CN2CCN(c3cccc(Cl)c3)C2=O)Cc2cccc(Cl)c21,[*]N1CCN([*])C1=O,0.6413373,False
9235,CCCc1cccc2c1OCC(N(C=O)CCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6310105,False
9236,CCCc1cccc2c1OCC(N(CO)C1CCCC3(CCC(=O)C(=O)C3)C1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.27836624,False
9237,CCc1ccc(C)c(OO)c1C(=O)NCC1CCCN1CCCCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.3766624,False
9238,CCc1ccc(OC)c(OCCCO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.30793458,False
9239,CN1CCC(CN2CCN(c3ccc(Cl)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5540737,False
9240,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(C)c2N)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3488292,False
9241,COc1ccc(-c2ccsc2)cc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93948185,False
9242,COc1cccc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)c1OC,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.41047764,False
9243,COc1ccccc1C(=O)NCC=CC(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78245395,False
9244,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3ccccc3s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35952264,False
9245,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75123304,False
9246,Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)s1,[*]N1CCN([*])C1=O,0.8774238,True
9247,Cc1cccc(N2CCN(C3COCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.19062401,False
9248,N#Cc1ccccc1N1CCN(Cc2cccnc2)C1=O,[*]N1CCN([*])C1=O,0.22801082,False
9249,O=C(NCC=CCN1CCN(C2=CC=C(c3ccccc3)C(Cl)=CC=C2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40010375,False
9250,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)c(O)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5126867,False
9251,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c2c(Cl)cccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85613734,False
9252,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cc[nH]c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89249516,False
9253,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccc(F)cc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86531526,False
9254,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(Oc2ccncc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9470796,False
9255,O=C1N(CC(=O)N2CCc3ccccc32)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.18708888,False
9256,O=C1N(CC2(c3ccccc3)CCCCCC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.36857906,False
9257,O=C1N(CN2CCC3CC4COCCC(C4)C32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3070267,False
9258,O=C1N(Cc2cccc(Cl)c2)CCN1C1CCOCC1,[*]N1CCN([*])C1=O,0.36185628,False
9259,C=CN(CCC)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5606035,False
9260,CC(=O)N1CCc2cc(N3CCN(c4cccc5sccc45)C3=O)ccc21,[*]N1CCN([*])C1=O,0.1704869,False
9261,CC1CCCN(CCN2CCN(Cc3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7436015,False
9262,CC1Cc2ccccc2N1CCN1CCN(C2COOC2)C1=O,[*]N1CCN([*])C1=O,0.44565713,False
9263,CCCN(CCC)C1COc2c(cccc2OS(=O)(=O)C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.78280133,False
9264,CCCN(CCc1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.78356874,False
9265,CCCc1cccc2c1OCC(N(CC)CCn1cccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.65411586,False
9266,CCCc1cccc2c1OCC(N(CCC)C(O)c1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5710042,False
9267,CCCc1cccc2c1OCC(N(CCC)NC(=O)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.34613994,False
9268,CCN1CCCC1CNC(=O)c1c(Br)ccc(SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8526429,False
9269,CCc1ccc(C)c(OCCCS)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17447108,False
9270,CCc1cccc2c1OCC(N(CC=O)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4512576,False
9271,CN(CN1CCN(Cc2ccc(F)cc2)C1=O)CC12CCCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.4586174,False
9272,COCC1CCC(N2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.50716305,False
9273,COc1c(C)cccc1-c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.32494992,False
9274,COc1cccc(N2CCN(CC3CCCCN3Cc3ccc4ccccc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3434234,False
9275,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cncnc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41994965,False
9276,Cc1cccc(Cl)c1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6757228,False
9277,Cc1csc2c1CC(N1CCN(c3cccnc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.25549904,False
9278,O=C(NCC=CCN1CCN(c2c(Cl)ccc(Cl)c2Cl)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46594617,False
9279,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4768214,False
9280,O=C(NCC=CCN1CCN(c2ccccc2CF)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8962235,False
9281,O=C1N(CC(=O)N2CCc3ccc(Cl)cc32)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.2688613,False
9282,O=C1N(CCN2CC3CCCCC(CC3)C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.6899489,False
9283,O=C1N(CCNc2cc3ccccc3s2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.53039795,False
9284,O=C1N(CCc2cc3ccccc3s2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.47683188,False
9285,O=C1N(Cc2ccc(Cl)cc2)CCN1CC12CCCC1CCNC2,[*]N1CCN([*])C1=O,0.3823101,False
9286,O=C1N(c2ccncc2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.25015727,False
9287,CC(C)N1Cc2ccccc2C1N1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.49623203,False
9288,CC1(C)CC2CN(CCN3CCN(c4ccccc4Cl)C3=O)CC(C)(C1)C2(C)C,[*]N1CCN([*])C1=O,0.6011556,False
9289,CCCN(Cc1cccnc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6334859,False
9290,CCCc1cccc2c1OCC(N(CCC)C([O-])c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5370023,False
9291,CCCc1cccc2c1OCC(N(CCC)C1CCCC(=O)C1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4887544,False
9292,CCN(Cc1ccc(OC)cc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47708872,False
9293,CCOc1c(Cl)ccc([SH](C)O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23530419,False
9294,CCc1ccc(C)c(OC)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22386715,False
9295,CCc1ccc(OC)c(C(=O)NCC2CCCN2CSC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6041348,False
9296,CCc1cccc2c1OCC(N(CC(C)C)c1ccc(C#N)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.49414676,False
9297,CNc1cccc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3229884,False
9298,COc1c[nH]c(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4074906,False
9299,COc1ccc([N+](=O)[O-])cc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.77329046,False
9300,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cc(C)ccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84892863,False
9301,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89616984,False
9302,Cc1cccc(CN2CCN(Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.2977724,False
9303,N#Cc1cccc(N2CCN(c3cc(Cl)cc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.42003766,False
9304,O=C(NCC=CCN1CCN(c2c[nH]c(-c3ccccc3)c2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44920757,False
9305,O=C(NCC=CCN1CCN(c2ccc3ccccc3c2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5240735,False
9306,O=C(NCC=CCN1CCN(c2ccc3scc(O)c3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4916261,False
9307,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1c2ccccc2CCN1c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7121911,False
9308,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(-c2ccsc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8061134,False
9309,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc2cc(O)ccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80136883,False
9310,O=C(NCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1cc(Br)c2ccccc2c1CO,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7066819,False
9311,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.59554857,False
9312,O=C1N(Cc2ccccc2Cl)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.3226527,False
9313,O=C1N(Cc2csc3ccccc23)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.30561352,False
9314,CC(C)N1CCN(c2ccc3sccc3c2)C1=O,[*]N1CCN([*])C1=O,0.13907261,False
9315,CC(F)Oc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8478607,False
9316,CC1Cc2ccccc2N(C(=O)CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.38944802,False
9317,CCCN(C(C)C)C1COc2c(cccc2-c2ccc(C(F)(F)F)o2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6098902,False
9318,CCc1ccc(OC)c(C(=O)NCC2CCCN2CCSC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.52770734,False
9319,CCc1cccc2c1OCC(N(C)COC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4388808,False
9320,CCc1cccc2c1OCC(N(CC)C(=O)c1ccco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.29015186,False
9321,COCCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.47632873,False
9322,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)ccc1N,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39663768,False
9323,COc1ccccc1N1CCN(CC=CCNC(=O)CNC(=O)c2ccc(F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87129873,False
9324,COc1ccncc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4176244,False
9325,Cc1cc(N2CCN(CC3CCCCCN3C)C2=O)ccc1Cl,[*]N1CCN([*])C1=O,0.47155482,False
9326,Nc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8583129,False
9327,O=C(NCC=CCN1CCN(c2cc(F)ccc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6424344,False
9328,O=C(NCC=CCN1CCN(c2cc(O)nc3ccc(O)cc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53766495,False
9329,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccc(F)cc2)c(O)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88729054,False
9330,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(CF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.98798287,False
9331,O=C(NCC=CCN1CCN(c2cccc3c2-c2ccccc2Cc2ccccc2C3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64034534,False
9332,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(OCCF)c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9131218,False
9333,O=C1N(CC23CCCNC(CC2)C3Cc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5224865,False
9334,O=C1N(CC2Cc3ccccc3C2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.5623866,False
9335,O=C1N(CCN2C3CCCCc4ccccc4CC2C3)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.5087065,False
9336,O=C1N(CCN2CCc3cc(F)ccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.6777486,False
9337,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(Cl)cc1F,[*]N1CCN([*])C1=O,0.88064486,False
9338,O=C1N(CCNCC2CCCCC2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.27688548,False
9339,O=C1N(Cc2cccc(Cl)c2)CCN1C1COc2ccccc2C1,[*]N1CCN([*])C1=O,0.55644786,False
9340,O=C1N(Cc2cccc3ccccc23)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.3901557,False
9341,O=C1N(c2cc(Cl)ccc2F)CCN1C1CNOC1,[*]N1CCN([*])C1=O,0.24151151,False
9342,O=C1N(c2ccc(Cl)cc2)CCN1C1Cc2ccccc2CC2CCC1CC2,[*]N1CCN([*])C1=O,0.40417725,False
9343,CC1(C)CC2CCC1CCN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7863116,False
9344,CCCN(CNC(=O)c1ccoc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48308787,False
9345,CCN(CC(=O)c1ccccc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.27661103,False
9346,CCc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.82350624,False
9347,CCc1ccc(O)c(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2780764,False
9348,CCc1cccc2c1OCC(N(C)CO)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.41225848,False
9349,CN1CCCCC1CN1CCN(c2ccc3ccccc3c2)C1=O,[*]N1CCN([*])C1=O,0.5705159,False
9350,CNC(=O)c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8728427,False
9351,COC(CN1CCN(c2cccc(C)c2)C1=O)C1CCCNCC1,[*]N1CCN([*])C1=O,0.37137157,False
9352,COCN(CNC(C)=O)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.28730267,False
9353,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4412115,False
9354,COc1ccccc1C(=O)NCC=CCN1CCN(c2cnc3cc(O)ccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38359037,False
9355,COc1ccccc1N1CCN(CC=CCNC(=O)C2=COC3=CC2=C(O)C=CC=C3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6769605,False
9356,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3ccccc3[s+]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8714039,False
9357,Cc1ccc(N2CCN(CCN3CCCCCC3C)C2=O)cc1,[*]N1CCN([*])C1=O,0.39261284,False
9358,Cc1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3O)CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7671759,False
9359,Cc1ccccc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3440206,False
9360,N#Cc1cc(F)cc(CN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.31309208,False
9361,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)N1CCc2ccccc2C1=O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7894885,False
9362,O=C(NCCN1CCN(CO)CC1)c1cc(Br)c2ccccc2c1-c1cccc([N+](=O)[O-])c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.2679407,False
9363,O=C1N(CC2CCCCNC2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.4283987,False
9364,O=C1N(CCN2CCC(Cc3ccccc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8349493,False
9365,O=C1N(CCN2CCCC(O)C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.6283816,False
9366,O=C1N(CCN2CCCC(c3ccc(Cl)cc3)C2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.8170585,False
9367,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc2c1OCC2,[*]N1CCN([*])C1=O,0.7370797,False
9368,O=C1N(c2cccc(Cl)c2)CCN1C1CCN(C2CCCCCC2)CC1,[*]N1CCN([*])C1=O,0.40828255,False
9369,O=C1N(c2cccc(Cl)c2)CCN1c1cccc(CN2CCCCCC2)c1,[*]N1CCN([*])C1=O,0.48899227,False
9370,C=Cc1cccc2c1OCC(N(CCC)Cc1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.71768767,False
9371,CC(C)Cc1cccc2c1OCC(N(CO)C1CCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.42951542,False
9372,CC1CCCN(CN2CCN(c3ccc(Cl)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.56563514,False
9373,CCCN(CC)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5891903,False
9374,CCCOC1CCc2ccc(N3CCN(c4ccc(Cl)cc4)C3=O)cc21,[*]N1CCN([*])C1=O,0.46406013,False
9375,CCCOc1c(OC)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8649601,False
9376,CCN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.76264757,False
9377,CCc1cccc2c1OCC(N(COC)CC(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.47026446,False
9378,CN1C=CC=CC=C1CCC(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5932006,False
9379,CN1Cc2ccccc2C1CN1CCN(c2cccc(Cl)c2Cl)C1=O,[*]N1CCN([*])C1=O,0.5457172,False
9380,COc1ccc(-c2ccccc2)c(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7678067,False
9381,COc1cccc(N2CCN(CCNCC34CCC(CC3)C4CC(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.44729087,False
9382,COc1ccccc1N1CCN(CC=CCNC(=O)c2nc3ccccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6117156,False
9383,Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c(N)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8914555,False
9384,Cc1ccc(CNN2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.18502569,False
9385,Cc1cccnc1-c1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9111981,False
9386,Cn1ccc(N2CCN(CC3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.5234348,False
9387,O=C(NCC=CCN1CCN(c2cc(-c3ccc(F)cc3)co2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40500137,False
9388,O=C(NCC=CCN1CCN(c2ccc(CNCCO)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41641062,False
9389,O=C(NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2Cc2ccccc2-3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5157661,False
9390,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NC(=O)c1cccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90648067,False
9391,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]cc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9635063,False
9392,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9349196,False
9393,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(O)c(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8839203,False
9394,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(Oc2ccc(OCCF)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9237724,False
9395,O=C(NCC=CCN1CCN(c2sc3ccccc3c2Cl)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44490337,False
9396,O=C(NN1CCN(CC=CCNC(=O)c2ccccc2Cl)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.26124045,False
9397,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc2ccsc12,[*]N1CCN([*])C1=O,0.8162277,False
9398,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.31705204,False
9399,CC(C)(F)Cn1ccc(CN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.34154624,False
9400,CCCN(Cc1ccco1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54354364,False
9401,CCCc1cccc2c1OCC(N(CC)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4931109,False
9402,CCCc1cccc2c1OCC(N(CO)CCN1CCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6246173,False
9403,CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1[O-],[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1711738,False
9404,CCc1ccc2c(c1)CN(CCN1CCN(c3cc(F)cc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.6028739,False
9405,CN(CCN1CCN(c2ccc(Cl)cc2Cl)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.47274956,False
9406,CN(CCN1CCN(c2ccccc2)C1=O)CC1CCCCC1,[*]N1CCN([*])C1=O,0.57803106,False
9407,CN1CCC2Cc3ccccc3CC(N3CCN(c4cccc(Cl)c4)C3=O)C1C2,[*]N1CCN([*])C1=O,0.63279444,False
9408,COCC1CCC2CC1CN(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.5939492,False
9409,COCC1CCCN(CN2CCN(c3cccc(F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.46268156,False
9410,COc1c(C(=O)NCCN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.40246955,False
9411,COc1cc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)ccc1C,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.41862983,False
9412,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)nc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93609774,False
9413,COc1ccc(N(C)N2CCN(CC=CCNC(=O)c3cccc(C)c3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.21938056,False
9414,COc1cccc(N2CCN(CC=CCNC(=O)c3cccc(OC)n3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37877494,False
9415,Cc1cccc(N2CCN(CN(C)CC34CCCC(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.5254401,False
9416,N#Cc1cccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.88956475,False
9417,N#Cc1cccc(CN2CCN(c3cccc(F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.47203583,False
9418,Nc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9360409,False
9419,O=C(NCC=CCN1CCN(c2cc3ccccc3[nH]2)CC1)c1ccc(F)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42470524,False
9420,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cc(F)cc(F)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9488045,False
9421,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccc(O)cc1CC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79990625,False
9422,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc2ccc(OCCF)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92533535,False
9423,O=C1N(CC2CCC3CC3C2CN2CCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.46007866,False
9424,O=C1N(CC2CCc3ccoc3CC2)CCN1c1cccc(O)c1,[*]N1CCN([*])C1=O,0.45711842,False
9425,C#Cc1ccccc1-c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4599214,False
9426,CC(C)(C)c1ccc(N2CCN(CCOC3CCCCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.48086646,False
9427,CC1(CN2CCN(c3cccc(C(F)(F)F)c3)C2=O)CCCc2ccc(Cl)cc21,[*]N1CCN([*])C1=O,0.40858364,False
9428,CCCCN(C(=O)c1coc(C)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.19362712,False
9429,CCCCN(CC)C1COc2c(cccc2OCc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62096083,False
9430,CCCN(Cc1cc(C(F)(F)F)ccn1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47083953,False
9431,CCCc1cccc2c1OCC(N(CCC)Oc1ccco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.62300056,False
9432,CCCc1cccc2c1OCC(N(CCC)c1cccc(OC)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5431872,False
9433,CCc1cccc2c1OCC(N(CC(C)(C)C)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.46070623,False
9434,COc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(OC)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9235217,False
9435,COc1cc2ccccc2cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5741943,False
9436,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(CCF)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39729378,False
9437,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OCCF)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42889354,False
9438,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Cl)ccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87003696,False
9439,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc([N+](=O)c3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.917631,False
9440,Cc1cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)ccn1,[*]N1CCN([*])C1=O,0.8765263,False
9441,Cc1cccc(CNCN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.22089756,False
9442,N#Cc1ccccc1N1CCN(CCCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.6982088,False
9443,Nc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89798886,False
9444,O=C(NCC=CCN1CCN(c2ccc(-c3ccc[nH]3)cc2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39628103,False
9445,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64698076,False
9446,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(CCOCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9225291,False
9447,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccc(O)nc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89486456,False
9448,O=C1N(CC2(CF)CCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.49519196,False
9449,O=C1N(CC2CC3CCc4ccccc4C(CC3)CN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5997576,False
9450,O=C1N(CCN2CCC(c3ccccn3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8767881,False
9451,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc(Cl)cc(F)c1F,[*]N1CCN([*])C1=O,0.8360126,False
9452,CC(C)N1CN(CCN2CCN(c3ccccc3)C2=O)CC1=O,[*]N1CCN([*])C1=O,0.6876489,False
9453,CC1Cc2ccccc2CN1CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.608276,False
9454,CCCc1cccc2c1OCC(N(C)CC(=O)c1ccco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.27257842,False
9455,CCN1CCCC1CNC(=O)c1c(Cl)ccc(SO)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8960786,False
9456,CCOc1c(C)ccc(F)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15515992,False
9457,CCOc1c(OC)ccc([SH](C)O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2697251,False
9458,CCc1cccc2c1OCC(N(Cc1ccc(C(F)(F)F)cc1)C(C)CC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.46466807,False
9459,CN1CCCC(OCc2ccccc2N2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.5181004,False
9460,CNc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3768809,False
9461,COc1cc(Cl)ccc1C(=O)NCC=CCN1CCN(c2cccc(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4305483,False
9462,COc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44273502,False
9463,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(F)cc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.62711215,False
9464,Cc1ccc(N2CCN(CC3CCCCN3)C2=O)cc1,[*]N1CCN([*])C1=O,0.36130533,False
9465,Cc1ccc(O)c(OBr)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15766846,False
9466,Cc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2CO)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7525658,False
9467,O=C(NCC=CCN1CCN(CC2c3ccccc3-c3ccccc32)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4264611,False
9468,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1ccccc1-c1cccc(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5022741,False
9469,O=C(NCC=CCN1CCN(c2ccc(-c3cccnc3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.514936,False
9470,O=C(NCC=CCN1CCN(c2ccc(-c3cnc[nH]3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41328898,False
9471,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2ccc(F)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89959383,False
9472,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54999965,False
9473,O=C1N(CC(=O)N2CCc3ccccc32)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.20737934,False
9474,O=C1N(CCN2CCCC(C(F)(F)F)CC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.8222012,False
9475,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc(Cl)cs1,[*]N1CCN([*])C1=O,0.8398363,False
9476,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccccn1,[*]N1CCN([*])C1=O,0.8167013,False
9477,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc2scc-2c1,[*]N1CCN([*])C1=O,0.89517504,False
9478,O=C1N(CCc2cccc(Cl)c2)CCN1C1CCc2sccc2C1,[*]N1CCN([*])C1=O,0.5100124,False
9479,O=C1N(c2cccc(C(F)(F)F)c2)CCN1C1CCc2sccc2C1,[*]N1CCN([*])C1=O,0.3676527,False
9480,O=C1N(c2cccc(C(F)(F)F)c2)CCN1C1CNOC1,[*]N1CCN([*])C1=O,0.3338353,False
9481,CC(=O)c1cccc(N2CCN(CCN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.6102585,False
9482,CC(C)CC12CCC1N(CCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.75565374,False
9483,CC(C)N1CCN(CCN2CCN(Cc3cccc(C(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.65516514,False
9484,CCC(C)c1cccc(N2CCN(CC(=O)NC3CCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.17294271,False
9485,CCN(CC(C)C)C1COc2c(cccc2C(=O)c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3194779,False
9486,CCN1CCCC1CNC(=O)c1c(OC)ccc(Cl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.91825366,False
9487,CCN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.345487,False
9488,CN(CN1CCN(c2cccc(Cl)c2)C1=O)CC12CCCC(C)(C1)C2(C)C,[*]N1CCN([*])C1=O,0.5663744,False
9489,COCC12CCC(CC1)CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.8930634,False
9490,COc1c(C)cccc1C(=O)NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36312923,False
9491,COc1cccc(N2CCN(Cc3cc4ccccc4o3)C2=O)c1,[*]N1CCN([*])C1=O,0.34779313,False
9492,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(F)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9773279,False
9493,Cc1ccc(N2CCN(C3CCC(C)CC3)C2=O)s1,[*]N1CCN([*])C1=O,0.33676413,False
9494,Cc1cccc(N2CCN(C3CCCCN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.31689322,False
9495,Cc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)n1,[*]N1CCN([*])C1=O,0.8257486,False
9496,Nc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46227512,False
9497,O=C(NCC=CCN1CCN(C2=CC=Cc3cc(O)ccc3CC2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38648972,False
9498,O=C(NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43266264,False
9499,O=C(NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44950366,False
9500,O=C(NCC=CCN1CCN(c2ccc(CCO)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.487095,False
9501,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1csc(-c2ccc(Br)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9096582,False
9502,O=C(NCC=CCN1CCN(c2ccnc3ccc(O)cc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6055899,False
9503,O=C1N(CC2CC3CCC(CO2)N3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.64627075,False
9504,O=C1N(CC2CNCc3ccccc32)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.52712166,False
9505,O=C1N(CN2CC3CCCCC2Cc2ccccc2C3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5064001,False
9506,O=C1N(CN2CCCCCC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.37616202,False
9507,O=C1N(c2ccc(F)cc2)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.24473529,False
9508,CC(CN1CCN(c2cccc(Cl)c2)C1=O)OC1CCCc2ccccc21,[*]N1CCN([*])C1=O,0.485884,False
9509,CCCCCN(CC)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53076714,False
9510,CCCN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.38273558,False
9511,CCCc1cccc2c1OCC(N(CC(C)=O)C(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.33345464,False
9512,CCN(CC(C)C)C1COc2c(Cc3ccsc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5486002,False
9513,CCc1ccc(C)c(OOC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.77317965,False
9514,CCc1cccc(CN2CCN(c3ccc(F)c(C#N)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.40714103,False
9515,CCc1cccc(CN2CCN(c3cccc(OC)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3962991,False
9516,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1ccc(F)cc1,[*]N1CCN([*])C1=O,0.6974508,False
9517,CN(CCc1ccccc1)CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.84566367,False
9518,COC(C)C1c2ccccc2CN1CCN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.6997485,False
9519,COc1c(C(=O)NCCN2CCN(c3cccc(C(N)=O)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8385764,False
9520,COc1ccc2cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39669487,False
9521,COc1cccc(Cl)c1N1CCN(CC=CCNC(=O)c2cnc3ccccc3n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38073874,False
9522,COc1cccc(N2CCN(CC3CCNCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.56437093,False
9523,COc1ccccc1C(=O)NCC=CCN1CCN(C(=O)c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.17898452,False
9524,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(O)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9640824,False
9525,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(CF)c3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5525956,False
9526,O=C(NCC=CCN1CCN(c2ccc(-c3ccncc3)cc2)CC1)c1cccc(OCCF)c1CF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44269112,False
9527,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccc(Cl)cc2)cs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89544547,False
9528,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1cccc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6896996,False
9529,O=C(NCN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1)c1cccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33670485,False
9530,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.48801944,False
9531,O=C1N(CCN2CCCCCC2)CCN1c1ccc(F)cc1Cl,[*]N1CCN([*])C1=O,0.6816321,False
9532,O=C1N(CCN2CCCCc3ccsc3C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.6614887,False
9533,O=C1N(CCN2CCc3ccccc32)CCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.49605674,False
9534,CC(CN1CCN(c2ccc(F)cc2)C1=O)N1CCCc2ccccc21,[*]N1CCN([*])C1=O,0.28809553,False
9535,CC(NCc1cccc(F)c1)N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.21276496,False
9536,CCCCN(CC)C1COc2c(cccc2C(=O)c2ccc(C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.27819335,False
9537,CCN(CC(C)C)C1COc2c(cccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62035483,False
9538,CCc1ccc(O)c(OBr)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22568117,False
9539,CCc1ccc(OC)c(O[N+](=O)[O-])c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19798212,False
9540,CN(CCN1CCN(c2ccc(Cl)cc2)C1=O)Cc1cccs1,[*]N1CCN([*])C1=O,0.62643343,False
9541,COc1ccc(CN(C(C)C)C2COc3c(C)cccc3C2)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.4739196,False
9542,COc1ccc(Cc2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.40457585,False
9543,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(N)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41002566,False
9544,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(-c3ccc[nH]3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38849103,False
9545,Cc1cc(CN2CCN(c3cccc(Cl)c3)C2=O)cc(C)n1,[*]N1CCN([*])C1=O,0.37226644,False
9546,Cc1cccc2cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)[nH]c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3373435,False
9547,Cc1cccnc1-c1ccc(CC(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7037283,False
9548,O=C(CN1CCN(c2ccc(F)c(Cl)c2)C1=O)NCc1ccccn1,[*]N1CCN([*])C1=O,0.10257842,False
9549,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1c(Cl)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51008433,False
9550,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NCc1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8302927,False
9551,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccc(-c2ccsc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41655532,False
9552,O=C(NCC=CCN1CCN(c2ccnc(-c3cccc(O)c3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4743567,False
9553,O=C1N(CC2CCC3CCCN3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.591138,False
9554,O=C1N(CCN2CC3CCCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6945469,False
9555,O=C1N(CCN2CCCCC(c3cccc(Cl)c3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8299837,False
9556,O=C1N(CCN2CCc3ccccc3C2c2ccccc2)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.64847565,False
9557,O=C1N(CCN2COc3ccccc3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.6337251,False
9558,O=C1N(Cc2cc3ccccc3o2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.31342274,False
9559,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.36106595,False
9560,O=C1N(c2cc(Cl)ccc2Cl)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.23323044,False
9561,CC(C)N1CCC(N2CCN(c3ccc(F)c(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.26867458,False
9562,CCCN(CC1CC(=O)C(=O)C=C1C)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4249864,False
9563,CCOC1CCCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.46638003,False
9564,CN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(Cl)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35306948,False
9565,COCC12CCC(CC1)CN(CCN1CCN(c3cccc(C(F)(F)F)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.8174085,False
9566,COc1ccc(-c2ccccc2C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8592586,False
9567,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(OCCF)cc3)CC2)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4350962,False
9568,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3cc(OCF)ccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38869235,False
9569,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(C(C)C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3667103,False
9570,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Oc3ccc(OCCF)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3810606,False
9571,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc3c2Cc2ccccc2C3=O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59376323,False
9572,Cc1cc(CNCCN2CCN(c3cccc(Cl)c3)C2=O)on1,[*]N1CCN([*])C1=O,0.3986856,False
9573,Cc1ccc(N2CCN(CC3CCCCN3)C2=O)cn1,[*]N1CCN([*])C1=O,0.36427253,False
9574,Nc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4795202,False
9575,O=C(NCC=CCN1CCN(c2c(Cl)ccc(Cl)c2Cl)CC1)c1cccnn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37418863,False
9576,O=C(NCC=CCN1CCN(c2cc(-c3ccccc3)c[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45961553,False
9577,O=C(NCC=CCN1CCN(c2cccc(-c3ccccc3O)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51378846,False
9578,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc[nH]c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.937209,False
9579,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(Br)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8466006,False
9580,O=C1N(CC2CCNCC2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.42513865,False
9581,O=C1N(CC2NC3CCc4ccccc4CC2CC3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.44395855,False
9582,O=C1N(CCC2CCCCN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.77610844,False
9583,O=C1N(CCN2CCCCCC2)CCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.6006949,False
9584,O=C1N(CCN2CCc3ccccc32)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.5418459,False
9585,O=C1N(CCOc2ccccc2Cl)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.71343344,False
9586,O=C1N(CN2CCCC(OCc3ccccc3)C2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.52721596,False
9587,O=C1N(CN2CCCCC2c2cccc(Cl)c2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.2700451,False
9588,CC(CN1CCN(c2cccc(C(F)(F)F)c2)C1=O)N1CCCCC1,[*]N1CCN([*])C1=O,0.3099546,False
9589,CC1(C)CC(CN2CCN(c3cccc(Cl)c3)C2=O)CC2(CCCC2)CN1,[*]N1CCN([*])C1=O,0.71555895,False
9590,CC1CCC(N2CCN(c3cccc(Cl)c3)C2=O)NC1,[*]N1CCN([*])C1=O,0.40433234,False
9591,CCCCN(CC)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.511337,False
9592,CCCCN(CC)C1COc2c(cccc2-c2cccc3ccccc23)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4065108,False
9593,CCCN(CC([O-])c1ccoc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5412767,False
9594,CCCN1CCN(c2cccc(C(C)C)c2)C1=O,[*]N1CCN([*])C1=O,0.56567365,False
9595,CCCOC1CCCc2cc(CN3CCN(c4csc5ccccc45)C3=O)ccc21,[*]N1CCN([*])C1=O,0.30690697,False
9596,CCN(CC(C)C)C1COc2c(cccc2Oc2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5893576,False
9597,CCOCN1CCN(c2ccccc2C)C1=O,[*]N1CCN([*])C1=O,0.20966096,False
9598,CCOc1c(SO)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.65520895,False
9599,COc1c(C(=O)NCCN2CCN(c3ccccc3NC(C)=O)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.55733746,False
9600,COc1cc2ccccc2cc1C(=O)C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6234399,False
9601,COc1ccc2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93657875,False
9602,COc1ccccc1C(=O)NCC=CCN1CCN(C(=O)c2ccc(-c3ccsc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.17471616,False
9603,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3N)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84529895,False
9604,Cc1ccc(N2CCN(C3CCCCN3C)C2=O)cc1,[*]N1CCN([*])C1=O,0.2508231,False
9605,Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1C#N,[*]N1CCN([*])C1=O,0.8053261,False
9606,O=C(NCC=CCN1CCN(c2ccc(OCCF)s2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39751995,False
9607,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2cc(O)ccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.916006,False
9608,O=C(NCCN1CCN(CO[O-])CC1)c1cc(Br)c2ccccc2c1-c1cccc([N+](=O)[O-])c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.22865148,False
9609,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.5871101,False
9610,O=C1N(CCN2CCc3ccccc3O2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.57159454,False
9611,O=C1N(CCN2Cc3ccccc3C2)CCN1C(c1ccccc1)c1ccccc1,[*]N1CCN([*])C1=O,0.81399816,False
9612,O=C1N(CCN2Cc3ccccc3CC3CCC2CC3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.53986716,False
9613,C#Cc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47588447,False
9614,CC1(C)C2CCCC1(CN1CCN(c3ccc(F)c(C#N)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.428559,False
9615,CCCN(CCC)C1COc2c(cccc2-c2cccnc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.67445546,False
9616,CCN(CC(C)C)C1COc2c(cccc2S(=O)(=O)C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4604263,False
9617,CCN(CC)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53210264,False
9618,CCN1CCCC1CNC(=O)c1c(C)ccc(SC)c1OCOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7515362,False
9619,CCOc1c(CCCCl)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23259462,False
9620,COc1c(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.42102754,False
9621,COc1ccc2nc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89854264,False
9622,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(OCCF)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9495398,False
9623,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(-c3ccc(C)cc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84352875,False
9624,Cc1ccc(N2CCN(CCN3CC4CCC(C3)c3ccccc3N4)C2=O)cc1,[*]N1CCN([*])C1=O,0.5134568,False
9625,O=C(NCC=CCN1CCN(CCc2cccc(F)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.391213,False
9626,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(Cl)cc3)[nH]2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46510178,False
9627,O=C(NCC=CCN1CCN(c2ccc(Oc3cccc(F)c3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5132474,False
9628,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2ccc(CF)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92412317,False
9629,O=C(NCC=CCN1CCN(c2cccc(F)c2[N+](=O)[O-])CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6335326,False
9630,O=C(NCC=CCN1CCN(c2ccccc2-c2cccs2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66708815,False
9631,O=C1N(CC2CCC(NCCc3ccccc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5470304,False
9632,O=C1N(CCN2CCc3ccc(Cl)cc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5942214,False
9633,O=C1N(CCOCC2CCc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6787471,False
9634,O=C1N(CNCc2cccc(Cl)c2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.28900346,False
9635,O=C1N(Cc2ccc3ccccc3c2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.2614693,False
9636,O=C1N(Cc2cccc(Cl)c2)CCN1c1ccc2c(c1)NCCO2,[*]N1CCN([*])C1=O,0.27405596,False
9637,O=C1N(c2cccc(Cl)c2)CCN1C1Cc2ccccc2CC2CNCCC2C1,[*]N1CCN([*])C1=O,0.3457268,False
9638,CC(CN1CCN(c2ccc(F)c(Cl)c2)C1=O)N1CCC(C(F)(F)F)CC1,[*]N1CCN([*])C1=O,0.37623784,False
9639,CC1(C)C2CC3CCC1(CCC(CN1CCN(c4ccccc4)C1=O)N3)C2,[*]N1CCN([*])C1=O,0.45035186,False
9640,CC1CN(CCN2CCN(c3cccc(Cl)c3)C2=O)CCc2cccc(C#N)c21,[*]N1CCN([*])C1=O,0.7670871,False
9641,CC1Cc2ccccc2N1CCN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.52501637,False
9642,CCCCN(OC)C1COc2c(cccc2-c2ccc(N)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.58324605,False
9643,CCCc1cccc2c1OCC(N(CC)CC(=O)c1cc3ccccc3[nH]1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.33838266,False
9644,CCOc1c(CC)ccc(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.29333484,False
9645,CN(C)Cc1cccc(N2CCN(CC3CCCCN3c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.4391975,False
9646,COc1c(C(=O)NCCN2CCN(c3cc(C)ccc3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.77568805,False
9647,COc1cc(Br)cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3OC)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66745657,False
9648,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(-c4ccccn4)cc3)CC2)c1CF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38741332,False
9649,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc([N+](=O)[O-])ccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5384885,False
9650,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3c(C)cccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34365225,False
9651,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Cl)c(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4833886,False
9652,COc1cccnc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9089785,False
9653,N#CCOc1cccc(N2CCN(CC3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.5377324,False
9654,N#Cc1cccc(CN2CCC(N3CCN(c4cccc(Cl)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.7226561,False
9655,N#Cc1cccc(CNC(=O)N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.2178285,False
9656,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1cccc(O)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50450736,False
9657,O=C(NCC=CCN1CCN(c2ccc(-c3ccncc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48488155,False
9658,O=C(NCC=CCN1CCN(c2ccccc2-c2ncc[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7994429,False
9659,O=C1N(Cc2ccc(Cl)c(Cl)c2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.28334415,False
9660,O=C1N(Cc2ccc3sccc3c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.41059047,False
9661,O=C1N(Cc2csc3ccccc23)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.27409315,False
9662,CC1(C)CC2CCC(CNCN3CCN(Cc4ccccc4Cl)C3=O)(CC2)C1,[*]N1CCN([*])C1=O,0.2436216,False
9663,CCCCN(C(=O)c1c[nH]c2ccccc12)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2992922,False
9664,CCCN(C)C1COc2c(CC(C)C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.67121136,False
9665,CCCN(CCC)C1COc2c(cccc2Oc2ccc(C(C)=O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54462487,False
9666,CCN(C)CCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.61521405,False
9667,CCNCOc1c(CC)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2528998,False
9668,CN(CN1CCN(c2ccc(F)cc2)C1=O)CC12CCCCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.47912684,False
9669,CN(CN1CCN(c2ccccc2)C1=O)CC12CCC(CC1)CC2(C)C,[*]N1CCN([*])C1=O,0.56768167,False
9670,CN1CCc2ccc(N3CCN(Cc4cccc(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.45564896,False
9671,COC(C)CN1CCN(CCN2CCN(c3cccc(C(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7493124,False
9672,COc1c(C(=O)NCCN2CCN(Cc3ccc(C)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.42874187,False
9673,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2ccccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48845735,False
9674,COc1ccc(Br)c(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50234884,False
9675,COc1cccc(N2CCN(CC3CCCCN3Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.4326733,False
9676,COc1cccc(N2CCN(CC=CCNC(=O)Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31319174,False
9677,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Oc3cccc(F)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9364979,False
9678,O=C(NCC=CCN1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36345884,False
9679,O=C(NCC=CCN1CCN(c2cc(Br)ccc2OCc2ccccc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54130006,False
9680,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)c1cccc(O)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5442159,False
9681,O=C(NCC=CCN1CCN(c2ccccc2CCF)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8804998,False
9682,O=C(NCC=CCN1CCN(c2ccccc2CF)CC1)c1cc2ccccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8004637,False
9683,O=C(NCC=CCN1CCN(c2ccccc2[N+](=O)F)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71957254,False
9684,O=C1N(CCN2CCC3CCc4ccccc4C3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.65093845,False
9685,O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.40181783,False
9686,O=C1N(Cc2ccccc2)CCN1c1ccc2c(c1)CCCC[S+]c1ccccc1C2,[*]N1CCN([*])C1=O,0.42796552,False
9687,O=C1N(Cc2cccs2)CCN1CC1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.5054408,False
9688,C=C(C)N(CCCC)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5426612,False
9689,CC1(C)C2CC3CN(CCN4CCN(c5cccc(Cl)c5)C4=O)CCC1(C3)C2,[*]N1CCN([*])C1=O,0.75596625,False
9690,CC1=C(Cl)C=CC=CC=C1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38732335,False
9691,CC1C2CCCCC1(CN(C)CN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.5712967,False
9692,CCCCN(c1ccc(C(C)=O)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3239503,False
9693,CCCc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41378707,False
9694,CCN(Cc1cccc(C(F)(F)F)c1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.582098,False
9695,CCOc1c(O)cccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6779712,False
9696,CN1CCCCC(N2CCN(c3ccc(F)c(C#N)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.35905287,False
9697,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2c(C)cccc2[N+](=O)[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.30101043,False
9698,COc1ccc(Cl)cc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7853812,False
9699,COc1ccccc1N1CCN(CC=CCNC(=O)NCCN(c2ccccc2)c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87096,False
9700,COc1ccccc1N1CCN(CC=CCNC(=O)c2cnc3ccccc3n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90971947,False
9701,Cc1cccc(N2CCN(Cc3csc4ccccc34)C2=O)c1,[*]N1CCN([*])C1=O,0.35231608,False
9702,Cc1cccc2c1OCC(N(CC(C)C)C(=O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.11783372,False
9703,N#Cc1cccc(N2CCN(CCN3CCCC(c4ccccc4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.9203412,False
9704,N#Cc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9889219,False
9705,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c(F)cccc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72436947,False
9706,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccc1Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7940715,False
9707,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1csc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8211123,False
9708,O=C1N(CC2CCCNC2)CCN1c1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.42776787,False
9709,O=C1N(CC2CCc3sccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6403016,False
9710,O=C1N(CCN2CC3Cc4ccccc4CCCCC2C3)CCN1c1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.5465806,False
9711,O=C1N(CCN2CCCOCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5291512,False
9712,O=C1N(CCN2Cc3ccsc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8483938,False
9713,O=C1N(CCNCc2csc3ccccc23)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.40366912,False
9714,CC(C)(C)c1cccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.866164,False
9715,CC1c2ccccc2CN1CCN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.75122756,False
9716,CCCCc1cccc2c1OCC(N(CCC)c1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.57704777,False
9717,CCCN(Cc1c[nH]c2ccccc12)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62618774,False
9718,CCCc1cccc2c1OCC(N(CCC)COc1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.59883165,False
9719,CCN(C)Cc1cc(N2CCN(c3cccc(Cl)c3)C2=O)cs1,[*]N1CCN([*])C1=O,0.43587756,False
9720,CCc1cccc2c1OCC(N(CC)Cc1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.49798378,False
9721,CNc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43622288,False
9722,CONc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6016898,False
9723,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(OCCF)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39566243,False
9724,COc1ccccc1-c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36274153,False
9725,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Oc3ccccc3OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42439765,False
9726,Cc1ccc(O)cc1-c1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83888507,False
9727,Cc1cccnc1-c1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37062168,False
9728,N#Cc1cccc(N2CCN(CCN3CCCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.92134243,False
9729,Nc1ccc(Cl)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9087839,False
9730,O=C(CCNC(=O)c1cccc(F)c1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74169356,False
9731,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1)c1occc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35524902,False
9732,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5714121,False
9733,O=C(NCC=CCN1CCN(c2ccc([N+]O)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47608396,False
9734,O=C(NCC=CCN1CCN(c2ccc3cnc(O)cc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49991873,False
9735,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2cccs2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9624082,False
9736,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cscc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8645899,False
9737,O=C(NCC=CCN1CCN(c2cccnc2[N+](=O)[O-])CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6628288,False
9738,O=C1N(CCN2CC3CCC(CC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.89638674,True
9739,O=C1N(CCN2CCC(c3cccc(OC(F)(F)F)c3)CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.83752835,False
9740,O=C1N(CCN2CCCc3sccc3C2)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.6282097,False
9741,O=C1N(CCN2Cc3ccccc3C2)CCN1OCC(F)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7224726,False
9742,O=C1N(CN2CCN(Cc3cccc(Cl)c3)C2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.48922285,False
9743,O=C1N(COCc2ccccc2)CCN1C1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.4119749,False
9744,CC(OCC1CCCNC1)N1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.25444916,False
9745,CCCc1cccc2c1OCC(N(CCC)c1cccc(C(F)(F)F)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6215835,False
9746,CCCc1cccc2c1OCC(N(CO)CN1C(=O)CC3(CCCC3)CC1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.37988326,False
9747,CCN(CO)C1COc2c(Cc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5248916,False
9748,CCOCN1CCN(c2ccc3sccc3c2)C1=O,[*]N1CCN([*])C1=O,0.27537885,False
9749,CCOc1c(Br)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1844323,False
9750,CCc1ccc(Br)c(OS(C)(=O)=O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1880192,False
9751,CCc1ccc(CC)c(C(=O)NCC2CCCN2Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23640661,False
9752,CCc1ccc(CO)c(C(=O)NCC2CCCN2Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23418733,False
9753,CN(CCN1CCN(c2csc3ccccc23)C1=O)Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5079915,False
9754,CN1CCOCC1N1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.41445905,False
9755,COc1c(C(=O)NCCN2CCN(c3cccc(C)c3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.84672207,False
9756,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91016763,False
9757,COc1cccc(N2CCN(C3CCCCN3Cc3cccc(C)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.28212428,False
9758,COc1cccc(N2CCN(CC=CCNC(=O)c3cccc(OC)c3[N+](=O)[O-])CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35895148,False
9759,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2CCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.924312,False
9760,Cc1c(C(=O)NCCN2CCN(c3ccccc3Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8424161,False
9761,O=C(NCC=CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4185092,False
9762,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C(=O)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.818847,False
9763,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c(-c2cccc(O)n2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85504705,False
9764,O=C(NCC=CCN1CCN(c2cccc(O)c2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73798275,False
9765,O=C1N(CCN2CC3CCCC2CC3)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.60916007,False
9766,O=C1N(CCN2CCC3CCC(Cc4ccccc4C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7756368,False
9767,O=C1N(CCNCC2CCc3ccccc3C2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.46524,False
9768,O=C1N(CCc2cc3ccccc3s2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.4669211,False
9769,C=CN(CCCC)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5145883,False
9770,CC(=O)N1CCN(CCN2CCN(c3cccc(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.4856949,False
9771,CC(=O)OCN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5392134,False
9772,CC(C)Oc1cccc(N2CCN(Cc3ccc(C(C)C)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.27947155,False
9773,CC(CN1CCN(c2ccc3ccccc3c2)C1=O)c1ccccc1,[*]N1CCN([*])C1=O,0.2195101,False
9774,CC(CN1CCN(c2cccc(Cl)c2)C1=O)NC1CC(C)(C)c2ccccc21,[*]N1CCN([*])C1=O,0.39960185,False
9775,CCCCN1CCCC1CNC(=O)c1c(CC)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.49227387,False
9776,CCCN(CC(=O)c1ccc(Br)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41203594,False
9777,CCCOc1c(C)ccc(SC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15978338,False
9778,CCOc1cccc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.4013016,False
9779,CCc1cccc2c1OCC(N(CC(C)C)c1ccncc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3999065,False
9780,COc1ccc(-c2coc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3506111,False
9781,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3F)CC2)c(OC)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5248529,False
9782,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccc(F)cc3)ccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38256592,False
9783,Cc1[nH]c(-c2ccccc2)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8401881,False
9784,Cc1cc(-c2ccccc2)ccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8797745,False
9785,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)[nH]2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85077345,False
9786,Cc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9565408,False
9787,N#CN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2[N+](=O)[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3932552,False
9788,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(O)cc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45857322,False
9789,O=C(NCC=CCN1CCN(c2ccc(CNC(F)(F)F)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42999852,False
9790,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cc[nH]n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8341822,False
9791,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Br)c(O)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8952137,False
9792,O=C1N(CC2CCCC3Cc4ccccc4CN32)CCN1c1c[nH]c2ccccc12,[*]N1CCN([*])C1=O,0.33438095,False
9793,O=C1N(CC2COc3ccccc3N2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6198729,False
9794,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc(Cl)ccn1,[*]N1CCN([*])C1=O,0.8080496,False
9795,O=C1N(COCc2cccc(Cl)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.45412248,False
9796,O=C1N(COCc2ccccc2)CCN1C1CCOC1,[*]N1CCN([*])C1=O,0.34990925,False
9797,CCCN(CC1CC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71887875,False
9798,CCSN1CCCC1CNC(=O)c1c(Cl)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21953544,False
9799,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1cccc2ccsc12,[*]N1CCN([*])C1=O,0.7133818,False
9800,CN1CCCCC1N1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.28426215,False
9801,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)sc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8127403,False
9802,COc1cccc(CN2CCOCC2N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.4181591,False
9803,COc1cccc(N2CCN(CC3CCCC3Oc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.4854276,False
9804,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(CCF)cnn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8450921,False
9805,Cc1cccc(CN2CCN(Cc3ccc(Cl)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.29072475,False
9806,Cc1cccc(CNCCN2CCN(c3ccc(F)c(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.30103973,False
9807,Cc1cccnc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89790636,False
9808,O=C(NCC=CCN1CCN(c2cc(-c3ccccc3)cs2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38518447,False
9809,O=C(NCC=CCN1CCN(c2cc3ccc(O)cc3[nH]2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41744876,False
9810,O=C(NCC=CCN1CCN(c2cc3ccccc3[nH]2)CC1)c1c(Cl)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50365555,False
9811,O=C(NCC=CCN1CCN(c2cc3ccccc3[nH]2)CC1)c1cccc(Cl)c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46572965,False
9812,O=C(NCC=CCN1CCN(c2cc[nH]c2OCCF)CC1)c1cc2cc(O)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5131196,False
9813,O=C(NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2C(O)C3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40546432,False
9814,O=C(NCC=CCN1CCN(c2cccnc2)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4544597,False
9815,O=C(NCC=CCN1CCN(c2csc(-c3ccccc3O)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49891642,False
9816,O=C1N(CC(F)(F)F)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.2917023,False
9817,O=C1N(CC(F)CN2Cc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.60091794,False
9818,O=C1N(CCN2CC3CCCCC3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.83996224,False
9819,O=C1N(CCN2CCCC3(CCc4ccccc4C3)C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.7038001,False
9820,O=C1N(CCN2CCN(Cc3cccc(Cl)c3)CC2)CCN1c1cccc2sccc12,[*]N1CCN([*])C1=O,0.71243995,False
9821,O=C1N(CCN2CCc3ccc(Cl)cc3C2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.580606,False
9822,O=C1N(CCNCc2cccnc2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.30950192,False
9823,O=C1N(CCOc2cccc(Cl)c2)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.47983313,False
9824,O=C1N(CN2C3CCCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5866134,False
9825,O=C1N(CNCc2ccc3sccc3c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3276822,False
9826,O=C1N(c2ccc(F)cc2)CCN1C1CCCCNC1,[*]N1CCN([*])C1=O,0.23247044,False
9827,CC(C)(C)c1ccc(N2CCN(CCN3Cc4ccccc4C(C)(C)C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.74477875,False
9828,CCCCN(c1cccc(C)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.38275275,False
9829,CCCN(CC)C1COc2c(cccc2-c2ccc(C(O)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.61881804,False
9830,CCCN(CCC)C1COc2c(cccc2-c2ccccc2C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.67335963,False
9831,CCCN(CO)C1COc2c(CC3C(=O)C4CCCCN4C=C3C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.35930574,False
9832,CCCN(Cc1sccc1C)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5417691,False
9833,CCN(CCN1CCN(c2ccc3ccccc3c2)C1=O)S(C)(=O)=O,[*]N1CCN([*])C1=O,0.49389735,False
9834,CN(CCN1CCN(c2ccc(F)cc2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.5797824,False
9835,CN(O)c1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9261653,False
9836,CN1CCCCC1CN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.49736565,False
9837,CN1CCCCCC1CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.3984832,False
9838,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2S(C)(=O)=O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.44680312,False
9839,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(OCCF)cc3)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41457292,False
9840,COc1ccc2c(c1)C=CN(CCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.6544285,False
9841,COc1cccc(C(=O)NCC=CCN2CCN(c3cc4ccccc4[nH]3)CC2)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42306027,False
9842,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(-c4ccc(Cl)cc4)[nH]3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43942085,False
9843,COc1ccccc1N1CCN(CC=CCNC(=O)NC(=O)c2ccc(-c3ccccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89688915,False
9844,Cc1ccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3)CC2)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36305684,False
9845,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1=CC=C(F)C2=CC=CC=C(F)C(=N2)C=C1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.765477,False
9846,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NC(=O)c1ccc(-c2ccccc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88593817,False
9847,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9634638,False
9848,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)OCCc1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8297459,False
9849,O=C(NCN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37081167,False
9850,O=C1N(CCN2CCCCCC2)CCN1Cc1ccccc1Cl,[*]N1CCN([*])C1=O,0.65487194,False
9851,O=C1N(CCN2Cc3ccccc3C2)CCN1CC1CCNCC1,[*]N1CCN([*])C1=O,0.78044564,False
9852,O=C1N(CCOCC2CCCCN2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.49879718,False
9853,CC12CCCC(CC1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.7650642,False
9854,CCCN(COC([O-])(F)F)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5371862,False
9855,CCCN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.36949965,False
9856,CCCc1ccc(CC)c(OC)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2132308,False
9857,CCN1CCCC1CNC(=O)c1c(C)ccc(SC)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6990826,False
9858,CN(CCN1CCN(c2cc3ccccc3s2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.5753105,False
9859,CN(CCN1CCN(c2ccc(Cl)c(Cl)c2)C1=O)CC1CCC2Cc3ccccc3CCC21,[*]N1CCN([*])C1=O,0.54215837,False
9860,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC12CCCC(C1)C2(C)C,[*]N1CCN([*])C1=O,0.8169664,False
9861,CNc1ncccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.909663,False
9862,COC(F)(F)N1CCN(CCN2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.58887607,False
9863,COc1c[nH]c(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35817587,False
9864,COc1cccc(N2CCN(CCNCC3CCCCC4=C3CC=CC=C4)C2=O)c1,[*]N1CCN([*])C1=O,0.4296308,False
9865,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7703834,False
9866,COc1ccccc1N1CCN(CC=CCNC(=O)c2ncccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88745064,False
9867,N#Cc1cccc(CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.56245637,False
9868,O=C(CCF)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6897361,False
9869,O=C(NCC=CCN1CCN(c2ccc3ccccc3c(=O)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46206868,False
9870,O=C(NCC=CCN1CCN(c2ccc3ccccc3c2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49710098,False
9871,O=C(NCC=CCN1CCN(c2cccc3ccc(O)cc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6702438,False
9872,O=C(NCCN1CCN(CO)CC1)c1cc(Br)c2ccccc2c1-c1ccc([N+](=O)[O-])cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33204633,False
9873,O=C(NCCN1CCN(CO[O-])CC1)c1cc(Br)c2ccccc2c1-c1cccc(Cl)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3180284,False
9874,O=C1N(CCN2CCc3occc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8149862,False
9875,O=C1N(CCc2cc3ccccc3s2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.3881149,False
9876,O=C1N(Cc2ccc(Cl)cc2)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.39733097,False
9877,O=C1N(Cc2ccccc2)CCN1Cc1ccccn1,[*]N1CCN([*])C1=O,0.29054728,False
9878,O=C1N(c2ccc(Cl)c(Cl)c2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.21166404,False
9879,CC(C)N1CCc2cc(N3CCN(c4cc(Cl)cc(Cl)c4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.2543057,False
9880,CC(C)c1cccc(N2CCN(CCN3CCN(C(C)C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8109821,False
9881,CCCCc1cccc2c1OCC(N(CCC)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6219978,False
9882,CCCc1cccc2c1OCC(N(CC)C(C)(O)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.40228903,False
9883,CCOc1c(C)ccc(Br)c1C(=O)NCC1CCCN1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14994936,False
9884,CCc1ccc(C)c(OS)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17501718,False
9885,CCc1cccc2c1OCC(N(Cc1ccc(C(F)(F)F)cc1)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.2621074,False
9886,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1Cc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39924446,False
9887,COc1cccc(C(=O)NCC=CCN2CCN(c3c[nH]c4ccccc34)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5281149,False
9888,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)[nH]c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.833222,False
9889,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(O)c3)c(CF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91480553,False
9890,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9888503,False
9891,Cc1ccc(CNC(=O)CN2CCN(c3cccc(OC(C)C)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.13691331,False
9892,Cc1cccc(C(=O)NCC=CCN2CCN(c3ccc(CCF)cc3)CC2)c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3570498,False
9893,Cc1cccc(CNCN2CCN(c3cccc(C#N)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.38986075,False
9894,Cc1cccc(N2CCN(CCN3c4ccccc4CC3CO)C2=O)c1,[*]N1CCN([*])C1=O,0.45843765,False
9895,O=C(NCC=CCN1CCN(C=Cc2ccc(O)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2749342,False
9896,O=C(NCC=CCN1CCN(c2ccc(-c3cccnc3O)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48095515,False
9897,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)CCc1ccc-2cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8031775,False
9898,O=C(NCC=CCN1CCN(c2cccc(F)n2)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4915664,False
9899,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(Oc2ccccc2OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85973066,False
9900,O=C1N(CC(=O)N2CCc3ccc(Cl)cc32)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.21304633,False
9901,O=C1N(CC2CCCN(Cc3ccccc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7150485,False
9902,O=C1N(CCN2CC3CCC(C2)c2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.76792973,False
9903,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(-c2cccs2)cc1,[*]N1CCN([*])C1=O,0.8686585,False
9904,O=C1N(CN2CCCCc3sccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.44273773,False
9905,CC1(C)CC2CC(C1)C1CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1(C)C2,[*]N1CCN([*])C1=O,0.76700467,False
9906,CCCCN(c1ccc(C(C)(F)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47734725,False
9907,CCCN(CN1CCN(c2cccc(Cl)c2)C1=O)C1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.55717605,False
9908,CCCc1ccc(C)c(C(=O)NCC2CCCN2C)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1501999,False
9909,CCCc1ccc(C)c(C(=O)NCC2CCCN2O)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1313724,False
9910,CCCc1cccc2c1OCC(N(CCC)c1cccc(C(=O)O)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3804802,False
9911,CCCc1cccc2c1OCC(N(CCCN1C(=O)CC3(CCCC3)CC1=O)CC(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.52263266,False
9912,CN1CCCC(OCCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.7414556,False
9913,CNC(=O)c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9508503,False
9914,CNC(=O)c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8959969,False
9915,COCC1C(CN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)CC2CCC21,[*]N1CCN([*])C1=O,0.74703914,False
9916,COCC1CC2Cc3ccccc3CC1CC2N1CCN(c2ccc(C)cc2)C1=O,[*]N1CCN([*])C1=O,0.32673374,False
9917,COCc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.898541,False
9918,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2S(=O)(=O)c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.30669835,False
9919,COc1c(C(=O)NCCN2CCN(C(O)c3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.45733613,False
9920,COc1cccc(C(=O)NCC=CCN2CCN(c3c(Cl)ccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40684816,False
9921,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccn(-c3ccc(Cl)cc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8126689,False
9922,Cn1ccc(-c2ccccc2)c1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89315253,False
9923,O=C(CN1CCN(c2ccccc2)C1=O)OCc1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.12794697,False
9924,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cc(OCCF)cs2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9486872,False
9925,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cccc-2nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.893941,False
9926,O=C(NCC=CCN1CCN(c2cccnc2)CC1)c1c(Cl)ccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48688325,False
9927,O=C1N(CCN2CC3CCCCCC3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8044681,False
9928,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.90572536,False
9929,O=C1N(c2ccc(Cl)c(Cl)c2)CCN1C1CCCCCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.3140887,False
9930,CC(C#N)N1CCN(CCN2CCN(c3ccc(F)c(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.80330485,False
9931,CC(F)N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.30909002,False
9932,CCCCCN(CC)C1COc2c(cccc2C(=O)O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42831254,False
9933,CCCN(CCC)C1COc2c(cccc2-c2ccc(C(F)C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7154165,False
9934,CCCN(CCC)C1COc2c(cccc2C(C)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7770563,False
9935,CCCN(CCC)C1COc2c(cccc2S(=O)(=O)C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7473022,False
9936,CCN(C)c1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44133955,False
9937,CCN(CC(C)C)C1COc2c(cccc2-c2ccc(OC(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.50582135,False
9938,CN(C)c1cccc(C(=O)NCC=CCN2CCN(c3ccc(OCCF)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44676322,False
9939,CN(Cc1cc2cccccc-2c1)CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.37444603,False
9940,CN1CCC(CN2CCN(c3ccccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.4027781,False
9941,COCC1C2CCC(NC(C)C)C1CC(N1CCN(c3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.2037988,False
9942,COCC1CCN(CN2CCN(c3ccc(Cl)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.56030583,False
9943,COc1cc(Cl)ccc1C(=O)NCC=CCN1CCN(c2cc3cc(OCCF)ccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39760733,False
9944,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2cc(Br)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47015098,False
9945,COc1ccc(C)c(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.29335985,False
9946,COc1ccc2[nH]c(O)cc2c1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.364474,False
9947,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2-c2ccccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6717449,False
9948,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccnc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6461733,False
9949,Cc1ccc(N2CCN(C3CCCNC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.19660987,False
9950,Cc1cccc(N2CCN(CCN3CCCOCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.55092406,False
9951,Cc1ccccc1N1CCN(CCN2CCCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.33610037,False
9952,O=C(CN1CCN(C2CCOOC2)C1=O)N1CCc2ccccc21,[*]N1CCN([*])C1=O,0.17594415,False
9953,O=C(NCC=CCN1CCN(c2c[nH]c3ccc(O)cc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49557754,False
9954,O=C(NCC=CCN1CCN(c2cc3cc(OCF)ccc3[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38675815,False
9955,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc(-c2ccccc2)ccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7513289,False
9956,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ncccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80341077,False
9957,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccc(O)cc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83921015,False
9958,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.7756798,False
9959,O=C1N(CCN2CCNCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7384889,False
9960,CC(C)N1CCN(CCN2CCN(c3ccc4ccsc4c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.49840575,False
9961,CC1(C)CCNC(CN2CCN(c3ccc(F)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.41963074,False
9962,CC1CCN(C)CC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7077712,False
9963,CCCCSc1ccc(OC)c(C(=O)NCC2CCCN2CCC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5038797,False
9964,CCCN(CCC)C1COc2c(Cl)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.81706494,False
9965,CCCc1ccc(Br)c(C(=O)NCC2CCCN2C)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2534073,False
9966,CCOc1c(F)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19055156,False
9967,CCOc1c(O)ccc(Cl)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.74253535,False
9968,CCc1ccc(C(C)=O)c(C(=O)NCC2CCCN2SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27406523,False
9969,CCc1ccc(C)c(OCl)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1469038,False
9970,CCc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8490669,False
9971,CCc1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.73217565,False
9972,CN(CN1CCN(c2ccc(Cl)cc2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.52459824,False
9973,COCC1C2CCC1CN(CCN1CCN(c3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.68247706,False
9974,COCC1CCCN1CN1CCN(Cc2cccnc2)C1=O,[*]N1CCN([*])C1=O,0.3004865,False
9975,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccc(F)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66206986,False
9976,COc1cc(Cl)ccc1C(=O)NCC=CCN1CCN(c2ccccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5292651,False
9977,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Br)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42590106,False
9978,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(C)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3766091,False
9979,Cc1cccc(N2CCN(CC3(C)CCC4CC(C3)N(C)C4)C2=O)c1,[*]N1CCN([*])C1=O,0.47384802,False
9980,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3N)CC2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.57825804,False
9981,O=C(NCC=CCN1CCN(Oc2ccc(CCF)cc2)CC1)c1ccccc1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.27708456,False
9982,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(O)nc(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8827726,False
9983,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)C1C(=O)OCCN1c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5650885,False
9984,O=C1N(CCN2CCCCCC2)CCN1COCc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.66010153,False
9985,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.608369,False
9986,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc2c1OCO2,[*]N1CCN([*])C1=O,0.7693406,False
9987,O=C1N(CN2CCC(C(F)(F)F)CC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.6328953,False
9988,O=C1N(c2ccc(Cl)cc2)CCN1C1COCCN1,[*]N1CCN([*])C1=O,0.2125939,False
9989,C=CN(Cc1ccccc1)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57229054,False
9990,CC(C)n1cccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.82099164,False
9991,CC1(C)CC(N2CCN(c3cccc(Cl)c3)C2=O)CC2CCN1C2(C)C,[*]N1CCN([*])C1=O,0.45388544,False
9992,CCCN(CO)C1COc2c(CC(=O)N3CCCCC3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2650977,False
9993,CCCN(c1ccsc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6303756,False
9994,CCCc1ccc(OC)c(OO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2987341,False
9995,CCCc1cccc2c1OCC(N(CC)CNC(=O)c1ccco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.2921882,False
9996,CCCc1cccc2c1OCC(N(O)CCCCN1C(=O)CC3(CCCC3)CC1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6208204,False
9997,CCN1CCCC1CNC(=O)c1c(C)ccc(C(C)C)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6672161,False
9998,CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5235767,False
9999,CCOc1c(CC)ccc(SC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25375593,False
10000,CCOc1c(Cl)ccc(C)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16689464,False
10001,CCc1cccc2c1OCC(N(CC(C)C)c1ccc3ccccc3c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.31589288,False
10002,CCc1cccc2c1OCC(N(CCC1CCSCC1)c1ccc(F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5419652,False
10003,COc1c(C(=O)NCCN2CCN(c3cccc(Br)c3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.88666034,False
10004,COc1ccc(OCCF)c(C(=O)NCC=CCN2CCN(c3cc(Cl)ccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43559012,False
10005,COc1cccc(CN2CCN(CC3CCCOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.34084246,False
10006,COc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7086095,False
10007,N#Cc1ccc(F)c(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.87013984,False
10008,Nc1ccc(-c2ccccc2)cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5417886,False
10009,O=C(NCC=CCN1CCN(c2ccc3ccccc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49612877,False
10010,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2cc(Cl)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9491804,False
10011,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc[nH]n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8179032,False
10012,O=C1N(C2=CC=Cc3sccc3C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.23119214,False
10013,O=C1N(CCN2CCCc3sccc3C2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.47703508,False
10014,O=C1N(CCN2Cc3ccccc3C2)CCN1C1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.6122041,False
10015,O=C1N(Cc2ccc3c(c2)C(O)CCCC3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.36681232,False
10016,O=C1N(c2ccc(Cl)cc2)CCN1C1CCc2cccc3c2C(CNC3)C1,[*]N1CCN([*])C1=O,0.41771182,False
10017,O=C1N(c2ccccc2)CCN1C1COCCN1,[*]N1CCN([*])C1=O,0.20388982,False
10018,CC1CCCN(C(=O)CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.23540999,False
10019,CC1CCN(CCN2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8156351,False
10020,CCCCN(CCC)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7671677,False
10021,CCCN(CCC)C1COc2c(cccc2-c2cc(C(=O)F)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62962276,False
10022,CCCN(CCC)C1COc2c(cccc2-c2ccoc(=O)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.78450096,False
10023,CCCN(CO)C1COc2c(cccc2C(=O)CC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5588132,False
10024,CCN1CCCC1CNC(=O)c1c(OC)ccc(Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9580983,True
10025,CN1CCN(CCN2CCN(c3cc(Cl)ccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.67448276,False
10026,COCC1Cc2ccccc2N(CCN2CCN(c3ccc(Cl)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.5307326,False
10027,COc1ccc2[nH]c(C(=O)NCC=CCN3CCN(c4ccc(OCCF)cc4)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39492202,False
10028,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96257365,True
10029,COc1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)n1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.73050034,False
10030,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3cc(O)ccc3s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36516166,False
10031,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38304108,False
10032,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Cl)cc2N)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9228553,False
10033,Cc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4Cl)CC3)cc2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35726407,False
10034,N#CCN1CCN(CCN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.821287,False
10035,O=C(NCC=CCN1CCN(c2cc3ccccc3cc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68200153,False
10036,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4818189,False
10037,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(O)n3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4341392,False
10038,O=C(NCC=CCN1CCN(c2ccc(Cl)c([N+](=O)[O-])c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42533055,False
10039,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc2ccccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7913493,False
10040,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(C(F)(F)F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9601373,False
10041,O=C(NCCN1CCN(Cl)CC1)c1cc(Br)c2ccccc2c1-c1ccccc1Cl,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.46531868,False
10042,O=C1N(CC2CCCOC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.318447,False
10043,O=C1N(CC2NCCc3ccccc32)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.5111157,False
10044,O=C1N(CCN2CCC(c3cccc(F)c3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.89023876,False
10045,O=C1N(Cc2cc(F)cc(F)c2)CCN1CC1CCCCN1,[*]N1CCN([*])C1=O,0.37437177,False
10046,CC(C)c1cccc(N2CCN(c3ccccc3OCC3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.23494543,False
10047,CCCCN(O)C1COc2c(CCNC(=O)c3cccs3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.27102357,False
10048,CCCN(CCCN1C(=O)CC(C)(C)CC1=O)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6883554,False
10049,CCCc1cccc2c1OCC(N(CCC)CCCn1ccc(C(F)(F)F)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6948542,False
10050,CCN1CCCC1CNC(=O)c1c(C)ccc(C)c1OOSC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7075218,False
10051,CCN1CCCC1CNC(=O)c1c(CC[O-])ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.84868443,False
10052,CCOc1cccc(CN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3246978,False
10053,CCc1ccc(C)c(OOC)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18523712,False
10054,CNc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75320995,False
10055,COC1c2ccccc2CCCC1CN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.61689883,False
10056,COc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9089359,False
10057,COc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3F)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70940804,False
10058,COc1cccc(N2CCN(CCN3CC4CCC3Cc3ccccc3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.70170563,False
10059,COc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7429932,False
10060,COc1ccccc1-c1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9071178,False
10061,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41217083,False
10062,Cc1cc(CN2CCN(c3cccc(Cl)c3)C2=O)on1,[*]N1CCN([*])C1=O,0.32796577,False
10063,Cc1ccc(OCCN2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.23715648,False
10064,Cc1nc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c(C)n1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8139473,False
10065,O=C(NCC=CCN1CCN(Cc2ccc(Cl)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4417794,False
10066,O=C(NCC=CCN1CCN(c2cc(-c3ccccc3)ccn2)CC1)c1ccccc1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44823977,False
10067,O=C(NCC=CCN1CCN(c2cc3ccccc3o2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3545257,False
10068,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccc[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5544188,False
10069,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2Oc2ccccc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64316195,False
10070,O=C(NCc1ccccn1)N1CCN(c2ccc(Cl)cc2Cl)C1=O,[*]N1CCN([*])C1=O,0.10787747,False
10071,O=C1N(CC2NCCC23CCCCc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.50739104,False
10072,O=C1N(CN2CCC(OCc3ccccc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.73681337,False
10073,CC(NCN1CCN(c2ccc(Cl)cc2)C1=O)c1cccc(C#N)c1,[*]N1CCN([*])C1=O,0.2691028,False
10074,CCCCN(CC)C1COc2c(cccc2-c2cccc(C(=O)O)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.38486016,False
10075,CCCc1cccc2c1OCC(N(CCC)Oc1coc(C)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6058723,False
10076,CCCc1cccc2c1OCC(N(CO)C1CCC(C)CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5007103,False
10077,CCCc1cccc2c1OCC(N(Cc1ccc(C(F)(F)F)cc1)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.31056753,False
10078,CCN(CC(C)C)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.33149806,False
10079,CCc1ccc(C)c(C(=O)NCC2CCCN2O)c1OCCCF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1864995,False
10080,CN1C2CCC(CN3CCN(c4cccc(F)c4)C3=O)CC1CC2,[*]N1CCN([*])C1=O,0.58436096,False
10081,COCC1CCCN1c1cccc(N2CCN(Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.43903857,False
10082,COc1cccc(Cl)c1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41670176,False
10083,COc1cccc(N2CCN(Cc3ccc(Cl)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.38667712,False
10084,COc1ccccc1C(=O)NCC=CCN1CCN(C2Cc3ccccc3-c3ccccc3N2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3576666,False
10085,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(CF)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6647473,False
10086,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccccc3)no2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8462,False
10087,Cc1csc(CN(C)CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.43627095,False
10088,Cc1ncccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88479906,False
10089,N#Cc1cccc(N2CCN(CC3CNCCN3c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.5917014,False
10090,O=C(NCC=CCN1CCN(c2cc3cc(OCCF)ccc3[nH]2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41958556,False
10091,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1cc(-c2ccc(Cl)cc2)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48565748,False
10092,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(-c2ccsc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6752593,False
10093,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cccc(OCCF)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87093663,False
10094,O=C1N(CC2CC3CCCCC3N2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.61961424,False
10095,O=C1N(CC2CCCN(Cc3ccc(Cl)cc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.69182354,False
10096,O=C1N(CC2CCCN(Cc3cccc(Cl)c3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.563219,False
10097,O=C1N(COCC2CC3CCN(C2)c2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.47079724,False
10098,O=C1N(c2ccccc2)CCN1C1CCCC1Cc1ccccc1,[*]N1CCN([*])C1=O,0.2948444,False
10099,CC(C)(C)NC(=O)NCCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.39577574,False
10100,CCCN(C)CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.6145754,False
10101,CCCc1cccc2c1OCC(N(CC(F)(F)F)c1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.58020467,False
10102,CCN1CCCC1CNC(=O)c1c(CCO)ccc(C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.83910197,False
10103,CCOc1c(Cl)ccc([SH](C)(=O)O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21142489,False
10104,COCC12CC(CN3CCN(c4ccc(Cl)cc4)C3=O)CCC1C2,[*]N1CCN([*])C1=O,0.38785273,False
10105,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C=O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.44026586,False
10106,COc1c(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)sc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40912583,False
10107,COc1ccc(O)c(N2CCN(CC=CCNC(=O)c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5645088,False
10108,COc1ccc2c(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)csc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48616937,False
10109,COc1cccc(N2CCN(CC=CCNC(=O)c3c(Cl)cccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.417565,False
10110,Cc1cc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)ccc1-c1cccc(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8276965,False
10111,N#Cc1ccccc1C1CCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.7840827,False
10112,N[N+](Cc1cccs1)CN1CCN(c2cccc(Cl)c2Cl)C1=O,[*]N1CCN([*])C1=O,0.3174076,False
10113,Nc1ccc(OCCF)cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.58142954,False
10114,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(F)cc3)cc2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48004195,False
10115,O=C(NCC=CCN1CCN(c2ccc(O)cc2)CC1)c1ccccc1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5094031,False
10116,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6565201,False
10117,O=C(NCCN1CCN(O)CC1)c1cc(Br)c2ccccc2c1-c1ccc([N+](=O)[O-])cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33380333,False
10118,O=C1N(CC#Cc2ccccc2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.4169433,False
10119,O=C1N(CC2Cc3ccccc3C2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.6105907,False
10120,O=C1N(CC2c3ccccc3CC3CNCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5412336,False
10121,O=C1N(CCN2CCC3CCC2Cc2ccccc2C3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.60579187,False
10122,O=C1N(CCN2Cc3ccccc3C2)CCN1c1nsc2ccccc12,[*]N1CCN([*])C1=O,0.7469669,False
10123,O=C1N(c2ccc3sccc3c2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.2441383,False
10124,CC(CN1Cc2ccccc2C1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7502349,False
10125,CCCN1CCc2ccccc2Cc2cc(N3CCN(C4CCCOC4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.42459443,False
10126,CCCc1ccc(CC)c(OC)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24016997,False
10127,CCN(CO)C1COc2c(CCC[O-])cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4918259,False
10128,CCc1cccc2c1OCC(N(CC)CC(=O)c1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.33550307,False
10129,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2NCc2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38152233,False
10130,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85782975,False
10131,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42989647,False
10132,COc1cccc(N2CCN(CN3CCN(Cc4ccc(F)cc4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.5476377,False
10133,COc1ccccc1N1CCN(c2cccc(CN3CCCCCC3)c2)C1=O,[*]N1CCN([*])C1=O,0.41085604,False
10134,Cc1cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)ccc1-c1ccc[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.425128,False
10135,Cc1cccc(N2CCN(CC3CCCC(C)N3)C2=O)c1,[*]N1CCN([*])C1=O,0.5012535,False
10136,Cc1ccsc1C(N)CN1CCN(c2ccccc2F)C1=O,[*]N1CCN([*])C1=O,0.20677832,False
10137,O=C(NCC=CCN1CCN(C2C(=O)Nc3ccccc3-c3ccccc32)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37538671,False
10138,O=C(NCC=CCN1CCN(c2cc3c(O)cccc3[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43123084,False
10139,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1c[nH]c2ccc(O)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44925442,False
10140,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cccnc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9480174,False
10141,O=C1N(CC2CCCCN2Cc2ccsc2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.3480017,False
10142,O=C1N(CCN2CCCCC2CO)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.31442937,False
10143,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.7322635,False
10144,O=C1N(CCN2Cc3ccccc3C2)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.7526161,False
10145,O=C1N(CCNC2CCCc3sccc3C2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.4391984,False
10146,O=C1N(CCOC#Cc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6780941,False
10147,O=C1N(Cc2cc3ccccc3s2)CCN1c1cccc(-c2ccsc2)c1,[*]N1CCN([*])C1=O,0.37514588,False
10148,O=C1N(Cc2csc(-c3ccccc3)n2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.2369592,False
10149,CC(=O)c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42121655,False
10150,CC(C)c1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.80755454,False
10151,CCCCN(C(=O)c1ccc(-c2ccccc2)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.25568664,False
10152,CCCCc1ccc(OC)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.85128087,True
10153,CCCCc1ccc(OC)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.28572255,False
10154,CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71204686,False
10155,CCOc1c(Br)ccc(SCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21601227,False
10156,CCOc1c(C(=O)NCCN2CCN(c3ccccc3OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8818306,False
10157,CCOc1c(C(=O)NCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.74069846,False
10158,CCc1ccc(OC)c(C(=O)NCC2CCCN2S)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25821948,False
10159,CCc1cccc2c1OCC(N(CC(=O)OC)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.21951568,False
10160,COCC1c2ccccc2CN1CCN1CCN(c2ccccn2)C1=O,[*]N1CCN([*])C1=O,0.47985673,False
10161,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ncccc2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37867782,False
10162,COc1c(C(=O)NCCN2CCN(c3ccc(C#N)cc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8159733,False
10163,COc1ccc(Oc2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35416225,False
10164,COc1cccc2[nH]cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92743313,False
10165,Cc1cccc(C(F)(F)CN2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.82776046,False
10166,Cc1cccc(CN2CCCC(N3CCN(c4cccc(Cl)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.5699671,False
10167,O=C(NCC=CCN1CCN(c2ccc3c(c2)OCCO3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42139623,False
10168,O=C(NCC=CCN1CCN(c2cccc(F)c2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5003828,False
10169,O=C(NCC=CCN1CCN(c2cccc(O)c2F)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6738958,False
10170,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccccc1CF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46922782,False
10171,O=C1N(CC2CCc3c(F)cccc3C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.6408222,False
10172,O=C1N(CCN2CC3CCCC2Cc2ccccc2C3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5425275,False
10173,O=C1N(CCc2cc3ccccc3s2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.67544603,False
10174,O=C1N(Cc2cccc(Cl)c2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.4126975,False
10175,CC(c1ccccc1)N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.6491893,False
10176,CC1CC2CN(C)CC(CN3CCN(Cc4cccc(C(F)(F)F)c4)C3=O)C2CC1C,[*]N1CCN([*])C1=O,0.39514765,False
10177,CC1CCCN(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.5971957,False
10178,CCCCN(CC)C1COc2c(cccc2-c2ccc([N+](=O)[O-])cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41956714,False
10179,CCCN(CCC)C1COc2c(cccc2-n2ccc(C(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.75760055,False
10180,CCOCN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.4227671,False
10181,CCOc1c(C)ccc(Cl)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19122396,False
10182,CN(CC1CCCCC1)CN1CCN(c2cc(Cl)ccc2F)C1=O,[*]N1CCN([*])C1=O,0.3607664,False
10183,COCC1Cc2ccccc2C1CN1CCN(Cc2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.52186733,False
10184,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(O)cc2[N+](=O)[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37136862,False
10185,COc1ccc2c(c1)C(C(=O)NCC=CCN1CCN(c3ccccc3OC)CC1)Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6777503,False
10186,COc1cccc(OCCN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.6720438,False
10187,COc1ccccc1C(=O)NCC=CCN1CCN(c2c[nH]c3cc(O)ccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.473474,False
10188,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(F)c2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6825035,False
10189,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3cc(OCCF)ccc3s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.937368,False
10190,Cc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52309984,False
10191,Cc1cccc(-c2c(C(=O)NCCN3CCN(Cl)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34555826,False
10192,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)c(F)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45455492,False
10193,O=C(NCC=CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46615407,False
10194,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c[nH]nc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87271684,False
10195,O=C(NCC=CCN1CCN(c2cn3ccccc3n2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44841182,False
10196,O=C1N(CC23CCNCC(C2)C3Cc2ccccc2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.3209438,False
10197,O=C1N(CCCC2CCC3CN2CCc2ccccc23)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.62521124,False
10198,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.22537945,False
10199,O=C1N(c2ccc(F)cc2)CCN1c1cccc(CN2CCCCC2)c1,[*]N1CCN([*])C1=O,0.3574401,False
10200,CC(C)c1ccc(N2CCN(C3CCCNC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.24714926,False
10201,CC(c1sccc1N1CCN(CCN2Cc3ccccc3C2)C1=O)N(C)C,[*]N1CCN([*])C1=O,0.7869,False
10202,CCCN(CCC)C1COc2c(Cc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7866094,False
10203,CCCc1cccc2c1OCC(N(CCC)C(=O)c1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.32305282,False
10204,CCN1CCCC1CNC(=O)c1c(Br)ccc(C)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7469134,False
10205,CCN1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7390313,False
10206,CCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1COC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.4428729,False
10207,CCOc1c(C)ccc(CSO)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17467196,False
10208,CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1SC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.200396,False
10209,CCOc1c(C)ccc(SC)c1C(=O)NCC1CCCN1SC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.179999,False
10210,CCOc1c(OC)ccc(F)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23676592,False
10211,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(-c4ccccn4)cc3)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4072807,False
10212,COc1ccc2c(c1)CCC(N1CCN(CC=CCNC(=O)c3ccccc3OCCF)CC1)C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39345205,False
10213,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)s2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38622934,False
10214,COc1cccc(N2CCN(CN3CCCCc4sccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.45988798,False
10215,COc1cccc([N+](=O)[O-])c1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8098774,False
10216,Cc1cccc(CN2CCCCCC2CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.47658587,False
10217,Cc1csc(N2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.69755375,False
10218,O=C(CCc1ccccn1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71390224,False
10219,O=C(NCC=CCN1CCN(c2ccc(Br)cc2)CC1)c1ccc(Cl)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45796323,False
10220,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1cc(O)ccc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5122625,False
10221,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2nc(O)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89464724,False
10222,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(C#Cc2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84948725,False
10223,O=C1N(CCCN2CCCCCC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.7880659,False
10224,O=C1N(CCN2C3CCCCC2Cc2ccccc2C3)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.50779665,False
10225,O=C1N(CCN2CCCCCCC2)CCN1Cc1ccccc1Cl,[*]N1CCN([*])C1=O,0.65487194,False
10226,O=C1N(Cc2cccc(Cl)c2)CCN1CN1CCCCCC1,[*]N1CCN([*])C1=O,0.35655847,False
10227,O=C1N(c2ccc(F)cc2)CCN1C1COCCN1,[*]N1CCN([*])C1=O,0.23607033,False
10228,CC(c1ccccc1)N1CCN(CCc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.39201644,False
10229,CC1(C)C2CCC1C1CCCC1N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.6695689,False
10230,CCCCCN(O)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4786952,False
10231,CCCCN(CCC)C1COc2c(Cc3cccs3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6669879,False
10232,CCc1ccc(C)c(C(=O)NCC2CCCN2Br)c1OF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14059359,False
10233,CNCc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44305295,False
10234,COc1c(C(=O)NCCN2CCN(c3ccccc3C#N)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8714483,False
10235,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41288805,False
10236,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7297952,False
10237,COc1ccc(-c2ccsc2C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8703995,False
10238,COc1ccc(CNN2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.23213862,False
10239,COc1cccc(CCN2CCN(Cc3ccccc3Cl)C2=O)c1,[*]N1CCN([*])C1=O,0.33298516,False
10240,COc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69554394,False
10241,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cccc(F)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4416903,False
10242,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78295773,False
10243,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9756924,False
10244,Cc1cccc(C#CCN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.46724945,False
10245,Cc1cccc(N2CCN(c3cccc(N(C)CC45CCC(CC4)CC(C)(C)C5)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.31001568,False
10246,Cc1ncc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)n1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7746091,False
10247,O=C(NCC=CCN1CCN(Cc2ccccc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39410955,False
10248,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1sccc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39584863,False
10249,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1cc2ccccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44390088,False
10250,O=C(NCC=CCN1CCN(c2cccc3cc(O)[nH]c23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.61978954,False
10251,O=C(NCC=CCN1CCN(c2cnc3ccccc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46748292,False
10252,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)CCOC2,[*]N1CCN([*])C1=O,0.7173005,False
10253,O=C1N(CN2CC3CCCC(C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8004972,False
10254,O=C1N(Cc2ccc3c(c2)N(Cc2ccccc2)CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.44089204,False
10255,O=C1N(Cc2ccccc2)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.39012384,False
10256,CC1CN(CCN2CCN(Cc3cccc(Cl)c3)C2=O)C(=O)c2ccccc21,[*]N1CCN([*])C1=O,0.34163606,False
10257,CCCCN(C(=O)Nc1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.21406937,False
10258,CCCN(CBr)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62026095,False
10259,CCCN(CCC)C1COc2c(cccc2-c2cccc(OC)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8062682,False
10260,CCCN(CCC1CCCC2(CCCC2)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4771152,False
10261,CCOc1c(OC)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7735225,False
10262,CCc1ccc(C)c(C(=O)NCC2CCCN2O)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14547509,False
10263,CN(Cc1cccs1)CN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.32959858,False
10264,COc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4cccc(OCCF)c4)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39411932,False
10265,COc1cccc(C(=O)NCC=CCN2CCN(c3cc4cc(O)ccc4[nH]3)CC2)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38946772,False
10266,COc1cccc(Oc2cccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8854064,False
10267,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46519426,False
10268,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-n3cccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.410287,False
10269,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(F)cc3)s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92354447,False
10270,Cc1ccccc1N1CCN(C2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.21315321,False
10271,O=C(CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O)N1CCCCCC1,[*]N1CCN([*])C1=O,0.07841937,False
10272,O=C(NCC=CCN1CCN(CCOc2ccc(Br)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33688438,False
10273,O=C(NCC=CCN1CCN(c2cc3cc(Cl)ccc3s2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46125248,False
10274,O=C(NCC=CCN1CCN(c2cc3ccccn3n2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4868867,False
10275,O=C(NCC=CCN1CCN(c2ccc(OCCF)nc2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45408356,False
10276,O=C(NCC=CCN1CCN(c2cccc([N+](=O)[O-])c2[N+](=O)[O-])CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6786207,False
10277,O=C1N(CC2CCCc3ccccc32)CCN1c1ccc2c(c1)CCOCC2,[*]N1CCN([*])C1=O,0.43584222,False
10278,O=C1N(CCOCC2CCCN2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.5164761,False
10279,O=C1N(CCc2ccc3sccc3c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.53732544,False
10280,O=C1N(Cc2ccc3c(c2)C(O)CCCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.48294082,False
10281,O=C1N(c2ccc3ccccc3c2)CCN1C1CCCCC1c1ccccc1,[*]N1CCN([*])C1=O,0.290823,False
10282,CC(C)OCC1Cc2ccccc2N1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.67467505,False
10283,CCCCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OCO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5819336,False
10284,CCCCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6077176,False
10285,CCCN(CCC(=O)c1ccoc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62132645,False
10286,CCCN(O)C1COc2c(Cc3ccc(F)cc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.55365944,False
10287,CCCOC1CCCc2ccc(N3CCN(c4ccncc4)C3=O)cc21,[*]N1CCN([*])C1=O,0.3962161,False
10288,CCN1CCCC1CNC(=O)c1c(C)ccc(CCCCl)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6431793,False
10289,CCN1CCCC1CNC(=O)c1c(C)ccc(CSO)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7599146,False
10290,CCOCN1CCN(CCN2CCN(C(C)C)CC2)C1=O,[*]N1CCN([*])C1=O,0.51682734,False
10291,CCc1ccc(O)c(C(=O)NCC2CCCN2SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.3122447,False
10292,CCc1ccc(SC)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8669676,False
10293,CN1CCCC(CN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5000852,False
10294,COc1c(C(=O)NCCN2CCN(S(=O)(=O)c3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.23793304,False
10295,COc1c(O)ccc(Br)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.26919776,False
10296,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3CF)CC2)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74923944,False
10297,COc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8843858,False
10298,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(-c2ccsc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.492599,False
10299,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc([N+](=O)[O-])n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83579046,False
10300,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c[nH]c2cc(OCCF)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9002652,False
10301,O=C(NCC=CCN1CCN(c2sccc2-c2ccccc2)CC1)c1cc(Cl)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43338102,False
10302,O=C(c1ccco1)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.4943508,False
10303,O=C1N(CCN2CC3CCCC2CCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.80331576,False
10304,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.9419557,False
10305,O=C1N(CCN2CCC3(CCCOC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7260498,False
10306,O=C1N(CCN2CCC3CCCCCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.57620126,False
10307,O=C1N(CCN2CCCC3CCCCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7653368,False
10308,O=C1N(CCN2CCCc3occc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.829325,False
10309,O=C1N(Cc2cccc(Cl)c2)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.27244967,False
10310,C#CCN1Cc2ccccc2C(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.67023623,False
10311,C=CCN(CC)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54199135,False
10312,CC(=O)N1CCN(CCN2CCN(c3cc(Cl)ccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.35533047,False
10313,CC(C)Oc1cccc(N2CCN(C3CNCOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.17617933,False
10314,CC1CCCN(CCN2CCN(c3ccc(Cl)c(F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.67728597,False
10315,CCCN(CO)C1COc2c(cccc2CC(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6138552,False
10316,CCCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1F,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19539377,False
10317,CCCSN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OCCCCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22290735,False
10318,CCCc1cccc2c1OCC(N(CC)COc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5930592,False
10319,CN(Cc1cccs1)CN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.45872793,False
10320,CN1CCCCC(CN2CCN(c3ccccn3)C2=O)C1,[*]N1CCN([*])C1=O,0.32837167,False
10321,COCC1CCCN1CN1CCN(c2ccccc2F)C1=O,[*]N1CCN([*])C1=O,0.3377399,False
10322,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2ccc(Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4590328,False
10323,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3)CC2)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4235419,False
10324,COc1cccc(-c2cccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8862938,False
10325,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(OCCF)ccc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4928572,False
10326,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2[N+](=O)[O-])CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49657542,False
10327,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Cl)c(F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9106359,False
10328,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3c2-c2c(cccc2OC)C3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9088233,False
10329,Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.891652,False
10330,Cc1ccnc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7932933,False
10331,O=C(NCC=CCN1CCN(c2ccc(-c3cn[nH]c3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45990437,False
10332,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5819663,False
10333,O=C(NCC=CCN1CCN(c2ccc([N+](=O)[O-])cc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45212522,False
10334,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9185262,False
10335,O=C(NCC=CCN1CCN(c2cccnc2)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.592583,False
10336,O=C1N(CC2=CC3=c4ccccc4=C(C=CC=C3)S2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.29810718,False
10337,CC(CN1CCN(CCN2Cc3ccccc3C2)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.604933,False
10338,CCCCN(c1csc(C(C)=O)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.35005105,False
10339,CCCN(Cc1ccccc1C(C)(C)C)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.588249,False
10340,CCN1CCCC1CNC(=O)c1c(C)ccc(SC)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6356712,False
10341,CCN1CCCC1CNC(=O)c1c(Cl)ccc(C)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6392073,False
10342,CCOCCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.41953814,False
10343,CN1CCCCC1CN1CCN(c2ccncc2)C1=O,[*]N1CCN([*])C1=O,0.4600422,False
10344,COC(=O)N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(C)c2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.1884967,False
10345,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(O)o2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3379491,False
10346,COc1c(C(=O)NCCN2CCN(C3COc4ccccc4C3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38674408,False
10347,COc1ccc(-c2ccccn2)cc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6255601,False
10348,COc1ccc2oc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95050985,False
10349,COc1cccc(C#Cc2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87200266,False
10350,COc1ccccc1C(=O)NCC=CCN1CCN(c2cnc3ccccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37762594,False
10351,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3O)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.822031,False
10352,N#Cc1ccc2c(c1)CN(CCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.78724104,False
10353,N#Cc1cccc(N2CCN(CCN3CCN(Cc4cc5ccccc5s4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.69836175,False
10354,Nc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.6977718,False
10355,O=C(NCC=CCN1CCN(c2ccc(-c3c[nH]c(O)n3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5037036,False
10356,O=C(NCC=CCN1CCN(c2ccc(-c3cc(O)cs3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4954583,False
10357,O=C(NCC=CCN1CCN(c2ccccc2-c2ccccc2F)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7705986,False
10358,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.8931508,True
10359,O=C1N(CNCC2CCC3Cc4ccccc4CCCN3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.43594873,False
10360,O=C1N(c2ccc(Cl)c(Cl)c2)CCN1c1ccc2c(c1)CCCCN2,[*]N1CCN([*])C1=O,0.32134002,False
10361,O=C1N(c2ccccc2)CCN1C1c2ccccc2CC2CCC1CCNC2,[*]N1CCN([*])C1=O,0.32143816,False
10362,C=CN(CCCC)C1COc2c(cccc2-c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5790793,False
10363,CC(c1ccccc1)C1CCN(CN2CCN(Cc3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5942886,False
10364,CC1(C)CC2CC1CC2(C)CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.40229124,False
10365,CC1CCCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.82518536,False
10366,CCC(=O)N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.16689327,False
10367,CCCCN(CC)C1COc2c(CC(=O)O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.44259328,False
10368,CCCN(CC(=O)c1ccco1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.32503253,False
10369,CCCN(CCC)C1COc2c(cccc2-c2csc(Cl)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7870334,False
10370,CCCc1cccc2c1OCC(N(COC)c1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5930677,False
10371,CCN(CC)CCN1CCN(c2cccs2)C1=O,[*]N1CCN([*])C1=O,0.36669827,False
10372,CN(C)c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42733815,False
10373,CN(Cc1cccc(Cl)c1)CN1CCN(C2CCOOC2)C1=O,[*]N1CCN([*])C1=O,0.39660683,False
10374,CN1CCCCC1CN1CCN(CCc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.42784575,False
10375,CN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2[N+](=O)[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.31220114,False
10376,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(C(N)=O)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.36490485,False
10377,COc1ccc(OC)c(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41800815,False
10378,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(Br)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38122195,False
10379,COc1cccc(CN2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30776614,False
10380,COc1cccc(N2CCN(C3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.2733481,False
10381,Cc1nc2cc(N3CCN(Cc4ccccc4)C3=O)ccc2s1,[*]N1CCN([*])C1=O,0.2945252,False
10382,O=C(NCC=CCN1CCN(c2ccc(-c3ccco3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4262195,False
10383,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(COc2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9507852,False
10384,O=C1N(CCN2CC3COCC2Cc2ccccc2C3)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.49410614,False
10385,O=C1N(CCN2CCc3cscc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.71026605,False
10386,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc2sccc12,[*]N1CCN([*])C1=O,0.8773109,False
10387,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(CCF)c1,[*]N1CCN([*])C1=O,0.92235875,False
10388,O=C1N(Cc2cc3ccccc3o2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.30924606,False
10389,O=C1N(Cc2ccccc2Cl)CCN1C1CCc2sccc2C1,[*]N1CCN([*])C1=O,0.41586542,False
10390,O=C1N(c2cccc(Cl)c2)CCN1C1CCC(Cc2ccccc2)CC1,[*]N1CCN([*])C1=O,0.5863861,False
10391,CCCN(CCCCn1ccc(C(F)(F)F)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71841824,False
10392,CCCN(Cc1ccc(C(C)(F)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6270825,False
10393,CCN(CC#N)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5839296,False
10394,CCN(Cc1sccc1C)N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.3004223,False
10395,CCOc1c(OC)ccc(CS)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2689281,False
10396,CN1C2CC(C)(CN3CCN(c4cccc(Cl)c4)C3=O)CC1C(C)(C)C2,[*]N1CCN([*])C1=O,0.6181453,False
10397,CN1CCc2ccc(CN3CCN(c4csc5ccccc45)C3=O)cc21,[*]N1CCN([*])C1=O,0.47309688,False
10398,COCC1C2CCCC1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.87953126,False
10399,COc1c(C(=O)NCCN2CCN(c3ncccc3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.87977767,False
10400,COc1ccc(C(=O)NCC=CCN2CCN(c3ccncc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3787475,False
10401,COc1ccc(CNC(=O)C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7798463,False
10402,COc1ccccc1N1CCN(CC2CCCCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.4604453,False
10403,Cc1c(C(=O)NCCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.63819,False
10404,Cc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)n[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81170493,False
10405,Cc1cc(CN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)sn1,[*]N1CCN([*])C1=O,0.6961689,False
10406,Cc1ccc(N2CCN(CCN3CCCCC3C)C2=O)cc1,[*]N1CCN([*])C1=O,0.40770862,False
10407,N#Cc1cccc(N2CCN(C3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.46413767,False
10408,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Cl)cc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9355324,False
10409,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(Br)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88359135,False
10410,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccnc2ccc(O)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8275978,False
10411,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccccc2O)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.62570167,False
10412,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccccn2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8337753,False
10413,O=C1N(CCN2CCCCC2O)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.3058325,False
10414,O=C1N(CCN2CCNCC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.68703467,False
10415,O=C1N(Cc2ccccc2)CCN1C1CCCC(OCc2ccccc2)C1,[*]N1CCN([*])C1=O,0.39295006,False
10416,O=C1N(Cc2csc3ccccc23)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.32406434,False
10417,CC(C)Oc1cccc(N2CCN(CCN3c4ccccc4CC3C)C2=O)c1,[*]N1CCN([*])C1=O,0.48418826,False
10418,CC1CCCCC1N1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.25839773,False
10419,CCCCc1ccc(C)c(C(=O)NCC2CCCN2C)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15084684,False
10420,CCN1CCN(CCN2CCN(c3cccc(Cl)c3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.7063558,False
10421,COc1c(C(=O)NCCN2CCN(c3ccccc3S(C)=O)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.80679065,False
10422,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2cccc3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6856481,False
10423,COc1ccc(C(=O)NCC=CCN2CCN(c3cc[nH]c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4364974,False
10424,COc1ccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.8399633,False
10425,COc1ccc2[nH]c(C(=O)NCC=CCN3CCN(c4cccc(OCCF)c4)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37586287,False
10426,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc4c(c3)Cc3ccccc3-4)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43266338,False
10427,COc1cccc2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.448381,False
10428,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(OCCF)cc3)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4377621,False
10429,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c(-c3ccc(Cl)cc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8952384,False
10430,COc1ccccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91312695,False
10431,Cc1cccc2c1OCC(N(Cc1ccc(C(F)(F)F)cc1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4814332,False
10432,Cc1ccccc1N1CCN(CC=CCNC(=O)c2c(Cl)cccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7097805,False
10433,N#CCOc1cccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7444646,False
10434,N#Cc1cccc(N2CCN(COCc3ccccc3Cl)C2=O)c1,[*]N1CCN([*])C1=O,0.4011936,False
10435,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2occc2O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8762874,False
10436,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(CCO)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9468192,False
10437,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccnnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8334376,False
10438,O=C1N(CCN2CC3CCCc4ccccc4CC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7107908,False
10439,O=C1N(CCN2CCc3ccccc32)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.53445345,False
10440,O=C1N(CCc2cc3ccccc3s2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.43181604,False
10441,O=C1N(c2ccc(C3CCNCC3)cc2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.30259827,False
10442,CC(=O)N(CF)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.25387692,False
10443,CC(Cc1ccccc1)ON1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.3937731,False
10444,CC1(C)CC2CCC1(CN1CCN(c3cccc(Cl)c3)C1=O)C2(C)C,[*]N1CCN([*])C1=O,0.69859606,False
10445,CC1CCCN(CCN2CCN(c3cccc(F)c3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.7742071,False
10446,CCCCN(C(=O)CO)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37145492,False
10447,CCCCN(CC)C1COc2c(C=Cc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5140477,False
10448,CCCN(CCC(=O)c1ccco1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5435505,False
10449,CCCN(CCC)C1COc2c(cccc2C(=O)[O-])C1,[*]CN([*])C1COc2c([*])cccc2C1,0.659702,False
10450,CCCN1CCN(c2cccc(C)c2)C1=O,[*]N1CCN([*])C1=O,0.5629131,False
10451,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2O[N+](C)=O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.42067507,False
10452,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5028565,False
10453,COc1cccc(CC2CCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.855553,False
10454,COc1cccc2sc(N3CCN(CC=CCNC(=O)c4ccccc4Cl)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40986446,False
10455,COc1ccccc1N1CCN(CC=CCNC(=O)C(=O)c2ccc(Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8166895,False
10456,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccnc3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8358028,False
10457,COc1ccccc1N1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.28589982,False
10458,Cc1ccc(-c2ccccc2)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85969955,False
10459,Cc1ccc(-c2ccccn2)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87881666,False
10460,Cc1ccccc1N1CCN(CC(=O)c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.12739095,False
10461,Nc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2CF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7873799,False
10462,O=C(CN1CCN(CCN2CCc3ccccc3C2)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.54411757,False
10463,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1)c1c[nH]c2ccc(OCCF)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43056494,False
10464,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)c(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47179094,False
10465,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1cc2cccc(O)c2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69397813,False
10466,O=C1N(CCN2CCc3ccccc32)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.56296086,False
10467,O=C1N(CN2c3ccccc3CC2CO)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.38704452,False
10468,O=C1N(c2cccc(Cl)c2)CCN1C1CNC2CCC(Cc3ccccc3C2)C1,[*]N1CCN([*])C1=O,0.4099512,False
10469,CC1(C)C2CCCC1(CN1CCN(c3ccc(Cl)cc3)C1=O)CN2Cc1ccccc1,[*]N1CCN([*])C1=O,0.37122566,False
10470,CC1(C)CC2CC(CN3CCN(c4cccc(Cl)c4)C3=O)CC1N2Cc1ccccc1,[*]N1CCN([*])C1=O,0.57923436,False
10471,CC1CCC2CCCC(N3CCN(c4cccc(C(F)(F)F)c4)C3=O)N12,[*]N1CCN([*])C1=O,0.2826921,False
10472,CC1Cc2ccccc2N1CCN1CCN(Cc2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.517411,False
10473,CCOc1c(C)ccc(SBr)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1588284,False
10474,CCOc1ccc(SC)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8269211,False
10475,CN1CCCCC(N2CCN(Cc3cccnc3)C2=O)C1,[*]N1CCN([*])C1=O,0.33728608,False
10476,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc([O-])c(Cl)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37378153,False
10477,COc1c(C(=O)NCCN2CCN(c3ccco3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.73815286,False
10478,COc1ccc(C)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8855327,False
10479,COc1cccc(N2CCN(CCN(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.65201646,False
10480,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(C(N)=O)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43431756,False
10481,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9757289,False
10482,Cc1cc(CN2CCN(Cc3cccc(Cl)c3)C2=O)sn1,[*]N1CCN([*])C1=O,0.1636825,False
10483,Cc1ccc(CN2CCN(c3ccc(Cl)cc3Cl)C2=O)cc1,[*]N1CCN([*])C1=O,0.23083937,False
10484,Nc1cccc(N2CCN(CC=CCNC(=O)c3cccc(F)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48356196,False
10485,O=C(NCC=CCN1CCN(c2[nH]ccc2-c2ccc(F)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40248874,False
10486,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccco2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84598255,False
10487,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2cc(O)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9607779,False
10488,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1sc2ccccc2c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72591716,False
10489,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(O)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96568954,False
10490,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1csc(-c2ccccn2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8917485,False
10491,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cscc1-c1ccccc1,[*]N1CCN([*])C1=O,0.8113449,False
10492,O=C1N(Cc2ccc3c(c2)CNC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.52896947,False
10493,O=C1N(c2cccc(Cl)c2)CCN1C1CCC(NCc2ccsc2)CC1,[*]N1CCN([*])C1=O,0.43231872,False
10494,C#CN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.48618713,False
10495,C#Cc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.85743177,False
10496,CC(C)N(C)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8023075,False
10497,CC1CCCCN1CCN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.63409907,False
10498,CCCN(CO)C1COc2c(CC3CC3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.583178,False
10499,CCN(C)CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.64206094,False
10500,CCN(CC(C)C)C1COc2c(Cc3cccs3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5106625,False
10501,CCOc1c(C)ccc(SC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18827243,False
10502,CCc1cccc2c1OCC(N(CO)CCc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.47293267,False
10503,CN(C)CC12CCCCC1CC(CN1CCN(c3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.4378938,False
10504,CN(CCF)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5405896,False
10505,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(N)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3767843,False
10506,COc1c(C(=O)NCCN2CCN(c3ccc([N+]([O-])(F)F)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.83132726,False
10507,COc1c(O)cccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70393044,False
10508,COc1cccc(C2CCCN(CN3CCN(c4cccc(Cl)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.6655224,False
10509,COc1cccc(CC(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78133386,False
10510,COc1ccccc1C(=O)NCC=CCN1CCN(Cc2ccc([N+](=O)[O-])cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2727561,False
10511,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccncc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.431249,False
10512,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc([N+](=O)[O-])c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8222337,False
10513,COc1ccccc1N1CCN(CC=CCNC(=O)c2cnc(F)cn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.896893,False
10514,Cc1cccc(N2CCN(CCN3CCC(C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.85406256,False
10515,O=C(NCC=CCN1CCN(c2[nH]cc3ccc(O)cc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38271245,False
10516,O=C(NCC=CCN1CCN(c2cc(-c3ccc(F)cc3)ccn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4538083,False
10517,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(Cl)cn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86931384,False
10518,O=C(NCC=CCN1CCN(c2ccccc2CO)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90883744,False
10519,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccc(O)cn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8578988,False
10520,CC(C)N1CCN(Cc2cccc(N3CCN(c4ccc(Cl)c(F)c4)C3=O)c2)CC1,[*]N1CCN([*])C1=O,0.47328162,False
10521,CCCCN(C1CCCCC1)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4197731,False
10522,CCCCN(CC)C1COc2c(cccc2-c2ccno2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51389074,False
10523,CCCCN(c1cc(C(O)(F)F)co1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4736815,False
10524,CCCN(CCC)C1COc2c(cccc2C(C)(C)c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8220607,False
10525,CCCc1cccc2c1OCC(N(CC)CC(=O)c1coc(-c3ccccc3)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3448502,False
10526,CCOc1ccc(CC)c(C(=O)NCC2CCCN2C)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23725295,False
10527,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2S(N)(=O)=O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.42670602,False
10528,COc1c(C(=O)NCCN2CCN(N(C)C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.486976,False
10529,COc1c(C(=O)NCCN2CCN(c3ccc(SC)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.84572333,False
10530,COc1c(C(=O)NCCN2CCN(c3ccccc3[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.88335425,False
10531,COc1cc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)ccc1Cl,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.9164994,False
10532,COc1ccc(Cl)cc1N1CCN(CC2CCCNC2)C1=O,[*]N1CCN([*])C1=O,0.34095892,False
10533,COc1ccc(N2CCN(CC=CCNC(=O)c3[nH]cc4ccc(OC)cc34)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37032458,False
10534,COc1cccc2c(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4F)CC3)c[nH]c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60493577,False
10535,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(C(C)=O)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4252656,False
10536,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(CCF)cn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42811513,False
10537,Cc1c[nH]c(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30443823,False
10538,Cc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33080631,False
10539,Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c(C(F)(F)F)n1,[*]N1CCN([*])C1=O,0.84387416,False
10540,Cc1cccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.81479704,False
10541,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(Cl)c3)o2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3620496,False
10542,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1c[nH]c(-c2ccc(Cl)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7880855,False
10543,O=C1N(CCN2CC3CCCCC(C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8905131,False
10544,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.89790916,False
10545,CC(C)CN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.40377393,False
10546,CCCCCN1CCCC1CNC(=O)c1c(OC)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.48894572,False
10547,CCCCN(CC)C1COc2c(cccc2-c2cc[nH]c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6014794,False
10548,CCCCN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OCCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.36535957,False
10549,CCCN(Cc1ccc(C=O)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6549074,False
10550,CCCc1cccc2c1OCC(N(CCC)C(O)c1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.58021057,False
10551,CCCc1cccc2c1OCC(N(COC)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.58917755,False
10552,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(N(C)C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3670347,False
10553,CN1CCC(C)(C)CC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7569197,False
10554,COCCNCN1CCN(c2ccccc2OC)C1=O,[*]N1CCN([*])C1=O,0.2550977,False
10555,COc1c(C(=O)NCCN2CCN([N+](=O)c3ccccc3[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.41988975,False
10556,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cc(Br)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64960325,False
10557,COc1ccc(Oc2cccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9103909,False
10558,COc1cccc(-c2ccsc2C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7576706,False
10559,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Br)ccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.819679,False
10560,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cnccc3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8744346,False
10561,Cc1ccc(CN2CCN(CC(C)c3ccccc3)C2=O)s1,[*]N1CCN([*])C1=O,0.17513146,False
10562,Cc1ccc(N)cc1N1CCN(CC=CCNC(=O)c2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4273925,False
10563,Cc1cccc(C#N)c1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.43036863,False
10564,N#Cc1cccc(C(=O)NCCN2CCN(c3ccccc3Cl)C2=O)c1,[*]N1CCN([*])C1=O,0.40532187,False
10565,O=C(NCC=CCN1CCN(CCOc2ccc3nc[nH]c3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35688394,False
10566,O=C(NCC=CCN1CCN(c2ccc(-c3cnco3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4775119,False
10567,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C(NCc1ccccc1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85749125,False
10568,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(O)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9604068,False
10569,O=C(NCC=CCN1CCN(c2cnc3ccc[s+]c3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4574186,False
10570,O=C1N(CC2C3CCC2N(Cc2ccccc2)C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.600086,False
10571,O=C1N(CNCCc2cccc(Cl)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3378994,False
10572,CC1(C)CCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8581646,False
10573,CCCCc1ccc(C)c(OCC)c1C(=O)NCC1CCCN1C=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.13548923,False
10574,CCCN(Cc1cc(C(C)=O)co1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46004358,False
10575,CN(Cc1ccccc1)CN1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.41631705,False
10576,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2occc2-c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6570432,False
10577,COc1ccc(C(=O)NCC=CCN2CCN(c3cc(Cl)ccc3F)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45375207,False
10578,COc1ccc2[nH]cc(N3CCN(CC=CCNC(=O)c4ccc(OCCF)cc4)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45022833,False
10579,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8593084,False
10580,COc1cccc(-c2c(C(=O)NCCN3CCN(O)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35158536,False
10581,COc1cccc(-c2ccc(C)cc2N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49588382,False
10582,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccccn3)ccc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8705194,False
10583,Cc1cccc(-c2c(C(=O)NCCN3CCN(C)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.32629398,False
10584,O=C(NCC=CCN1CCN(c2cc(-c3cccc(O)c3)cs2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43118975,False
10585,O=C(NCC=CCN1CCN(c2ccc(-c3ncccc3[N+](=O)[O-])cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42605498,False
10586,O=C(NCC=CCN1CCN(c2ccc(F)cc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.62646925,False
10587,O=C(NCC=CCN1CCN(c2ccc3cc(OCCF)ccc3n2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41480917,False
10588,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cccc(F)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93474734,False
10589,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8927654,False
10590,O=C(NCC=CCN1CCN(c2cccc3c2-c2ccccc2C3)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6483435,False
10591,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc([N+](=O)[O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72500676,False
10592,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc2c(c1)oc1ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84871525,False
10593,O=C(NCC=CCN1CCN(c2ccoc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.417577,False
10594,O=C1N(CCN2CCCCC2c2ccccn2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.31503102,False
10595,O=C1N(CCOC2CCCCC2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4421378,False
10596,O=C1N(CN2Cc3ccccc3C2)CCN1c1cscc1-c1ccccc1,[*]N1CCN([*])C1=O,0.57623315,False
10597,O=C1N(c2ccc(F)cc2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.22335884,False
10598,CC(C)N1CCN(CCN2CCN(c3ccc(F)c(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.80362743,True
10599,CC1CC2CCC1CCN(CCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.760371,False
10600,CCCN(CCC)C1COc2c(cccc2-c2cc(C(F)(F)F)c[nH]2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7264239,False
10601,CCCN(Cc1ccc(Cl)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.65592325,False
10602,CCOc1c(OC)ccc([SH](C)(=O)O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2434133,False
10603,CN1Cc2ccccc2C1N1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.601381,False
10604,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cc(C)cc([N+](=O)[O-])c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.26784512,False
10605,COc1cc2cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)ccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3479928,False
10606,COc1ccc(Br)nc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9223393,False
10607,COc1ccc(Cl)cc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(C)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5796068,False
10608,COc1cccc(COCCN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.7403797,False
10609,COc1cccc(N2CCN(CC=CCNC(=O)c3cccc(N)c3)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36492255,False
10610,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cccc(C)c3)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3470587,False
10611,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3c[nH]cn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87656474,False
10612,Cc1c(-c2ccccc2)csc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8567576,False
10613,Cc1ccc(N2CCN(CCc3nc4ccccc4s3)C2=O)cc1,[*]N1CCN([*])C1=O,0.3440002,False
10614,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NC(=O)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92234683,False
10615,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cc(O)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9345348,False
10616,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1-c1ccsc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9115776,False
10617,O=C(NCC=CCN1CCN(c2cccc(F)c2)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5147184,False
10618,O=C(NCC=CCN1CCN(c2ccccc2CCF)CC1)c1cc[nH]c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.798423,False
10619,O=C(NCC=CCN1CCN(c2cccnc2)CC1)c1c(Cl)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49968007,False
10620,O=C(NCC=CCN1CCN(c2cccnn2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4063046,False
10621,O=C1N(CCN2CCC(c3ccc(Cl)cc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.940362,False
10622,O=C1N(CCN2CCN(Cc3cccc(Cl)c3)CC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.7388768,False
10623,CC(C)C1CCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.84195805,False
10624,CC1CCCN(CCN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8534278,False
10625,CCCCN(Oc1ccc(C)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4435934,False
10626,CCCN(CCC)C1COc2c(cccc2-c2ccc(C(C)=O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6173125,False
10627,CCCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OCOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.69750184,False
10628,CCON1CCCC1CNC(=O)c1c(CC)ccc(C)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1441363,False
10629,COC(=O)C1CCCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4951987,False
10630,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)C2Cc3ccccc3-c3ccccc32)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5690776,False
10631,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCc3ccccc3)CC2)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38693744,False
10632,COc1ccc2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3984821,False
10633,COc1cccc(-c2ccc(CNN3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.21645801,False
10634,COc1cccc(N2CCN(CC(C)Nc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.28983775,False
10635,COc1ccccc1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7128113,False
10636,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccns3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8785825,False
10637,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(-c3ccncc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94899166,False
10638,Cc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33149675,False
10639,Cc1ccc(N2CCN(CCN3CCCCCC3)C2=O)cc1F,[*]N1CCN([*])C1=O,0.80558705,False
10640,Cc1ccc(OCCNN2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.20395072,False
10641,Nc1cc(O)ccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89707863,False
10642,O=C(CCN1CCN(c2cccc(Cl)c2)C1=O)c1ccccc1,[*]N1CCN([*])C1=O,0.4937154,False
10643,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48982129,False
10644,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1cccc(C(F)(F)F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48546946,False
10645,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)OCc1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9230681,False
10646,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2Cl)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9390207,False
10647,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2cnc[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7637715,False
10648,O=C1N(CC2CCCCCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.4257285,False
10649,O=C1N(CCN2C3CCCC2Cc2ccccc2CC3)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.48117188,False
10650,C#CCN1CCc2ccc(N3CCN(c4cccc(Cl)c4)C3=O)cc2C1,[*]N1CCN([*])C1=O,0.6108548,False
10651,CC(C)(C)c1ccc(N2CCN(CCCN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.7734874,False
10652,CC(C)Oc1ccccc1N1CCN(CC(F)(F)F)C1=O,[*]N1CCN([*])C1=O,0.27828392,False
10653,CC(CN1CCN(CCN2Cc3ccccc3C2)C1=O)c1cccc(C#N)c1,[*]N1CCN([*])C1=O,0.5830105,False
10654,CC1(C)Cc2ccccc2N1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.3032907,False
10655,CC1CCCCN1CCN1CCN(c2ccccc2C#N)C1=O,[*]N1CCN([*])C1=O,0.45288268,False
10656,CC1c2ccccc2CN1CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.5673726,False
10657,CCCN(C(C)=O)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4648624,False
10658,CCCN(COc1ccoc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.59717673,False
10659,CCCc1cccc2c1OCC(N(CC)Cc1cccc(C(F)(F)F)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.64629465,False
10660,CCCc1cccc2c1OCC(N(CO)Cc1ccc(C)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.43529636,False
10661,CCN(C)CC12CCC(CC1N1CCN(c3cccc(Cl)c3)C1=O)C2(C)C,[*]N1CCN([*])C1=O,0.5429745,False
10662,CCc1cccc2c1OCC(N(CO)Cc1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.43147781,False
10663,CN(CCF)C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.779532,False
10664,COCc1ccc(Cl)cc1N1CCN(CC2Cc3ccccc3N2)C1=O,[*]N1CCN([*])C1=O,0.4865815,False
10665,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(OC)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39904928,False
10666,COc1ccccc1-c1c[nH]c(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.794282,False
10667,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccn3)cn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40625685,False
10668,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2-c2ncccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8588175,False
10669,COc1coc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8719247,False
10670,Cc1cc(N2CCN(CC3CCN(CCc4cccc(Cl)c4)CC3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.6836554,False
10671,Cc1ccc(CN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)s1,[*]N1CCN([*])C1=O,0.65489626,False
10672,Cc1csc(N(C)CN2CCN(c3ccc4ccccc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3043136,False
10673,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1csc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3844788,False
10674,O=C1N(CC2CCc3ccccc3C2)CCN1c1ccc(Cl)cc1F,[*]N1CCN([*])C1=O,0.3972599,False
10675,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.71629244,False
10676,O=C1N(CCN2CCCc3sccc3C2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.7200849,False
10677,O=C1N(c2cccc(Cl)c2)CCN1c1ccc2c(c1)CCO2,[*]N1CCN([*])C1=O,0.3688522,False
10678,CC(C)NCCN1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.4292708,False
10679,CCCN(CC(C)c1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.623959,False
10680,CCCN(CCC)C1COc2c(cccc2-c2cc(C)ccc2O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5875485,False
10681,CCCN(CCC)C1COc2c(cccc2C2(C)CC(=O)CCC2=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5781328,False
10682,CCCN(CCC)C1COc2c(cccc2OCc2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7765387,False
10683,CCN(CC(C)C)C1COc2c(cccc2-c2ccc(C(=O)OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.26912594,False
10684,CCN(Cc1ccc(C)nc1C)CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.20529792,False
10685,CN(C)CCN1CCN(C2COOC2)C1=O,[*]N1CCN([*])C1=O,0.42488462,False
10686,CN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34049076,False
10687,CN1CCN(Cc2cccc(N3CCN(c4cccc(Cl)c4)C3=O)c2)CC1,[*]N1CCN([*])C1=O,0.66579443,False
10688,COCC1CCNCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.51013,False
10689,COc1c(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc2cccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74275094,False
10690,COc1c(C(=O)NCCN2CCN(c3c[nH]cc3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.80680794,False
10691,COc1c(C(=O)NCCN2CCN(c3ccccc3N(C)C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8720919,False
10692,COc1ccc(C)c(C(=O)NCC=CCN2CCN(c3ccc(OCCF)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3165531,False
10693,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(CCF)c[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42804387,False
10694,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(OCCF)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46034637,False
10695,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3c(OC)cccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38384643,False
10696,Cc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c(C)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8315643,False
10697,N#Cc1ccc2c(c1)CC(NCCN1CCN(c3cc(Cl)cc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.51980233,False
10698,O=C(NCC=CCN1CCN(c2c(O)cccc2-c2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3925638,False
10699,O=C(NCC=CCN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6280446,False
10700,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)Oc1ccc(CCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.907839,False
10701,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2[nH]c(=O)c3ccccc3c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80807114,False
10702,O=C1N(CCN2C3CCCC2Cc2ccccc2C3)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.6170723,False
10703,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1ccccc1Cl,[*]N1CCN([*])C1=O,0.6883622,False
10704,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CCNCC1c1ccccc1,[*]N1CCN([*])C1=O,0.30137557,False
10705,O=C1N(c2ccc3sccc3c2)CCN1C(c1ccccc1)C1CCNCC1,[*]N1CCN([*])C1=O,0.27941874,False
10706,O=C1N(c2cccc(Cl)c2)CCN1C1CCCC2CC2Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.39794055,False
10707,C=CN(COC)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49394903,False
10708,CC1CC2CCC1(CN(C)CCN1CCN(Cc3ccccc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.5438786,False
10709,CCCN(CC(F)(F)F)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56905043,False
10710,CCCc1cccc2c1OCC(N(CC)CCc1ccco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5008214,False
10711,CCCc1cccc2c1OCC(N(CCC)C(=O)c1coc(C)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.27375355,False
10712,CCOc1c(C)ccc(SCC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15456799,False
10713,CCOc1c(F)ccc(Br)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2184363,False
10714,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3cc(OCCF)ccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36593714,False
10715,CCc1ccc(F)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.84270537,False
10716,CNc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89865315,False
10717,COc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OSC)CC2)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.86818105,False
10718,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)o2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7088803,False
10719,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4645652,False
10720,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3ccc(Cl)cc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50020176,False
10721,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3OC)cc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49817863,False
10722,COc1ccccc1N1CCN(CC=CCNC(=O)NCc2cccc([N+](=O)[O-])c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70458657,False
10723,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccnc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91095275,False
10724,Cc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4802193,False
10725,O=C(CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O)c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.1605014,False
10726,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(O)c3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5083182,False
10727,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccc(-c2cccc(O)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47447118,False
10728,O=C(NCC=CCN1CCN(c2cccc(-c3ccoc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41777176,False
10729,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NCc1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84436375,False
10730,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)Nc1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7268915,False
10731,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9590662,False
10732,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2cc(F)ccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8842449,False
10733,O=C1N(CC2CNCc3ccccc32)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.4627726,False
10734,O=C1N(c2cccc(Cl)c2)CCN1C1c2ccccc2CC2CCC1CCCN2,[*]N1CCN([*])C1=O,0.4419829,False
10735,C=CCOc1c(C)ccc(C)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18905094,False
10736,CC(C)Cn1c(CN2CCN(c3cccc(Cl)c3)C2=O)cc2ccccc21,[*]N1CCN([*])C1=O,0.37898555,False
10737,CCCN(CC(C)=O)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45069793,False
10738,CCCN(CCC)C1COc2c(cccc2-c2ccc([O-])cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7395603,False
10739,CCCc1cccc2c1OCC(N(CC)CC(=O)OC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.33128434,False
10740,CCc1ccc(OCl)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.90100783,False
10741,CCc1cccc(N2CCN(Cc3ccc(C)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.3508486,False
10742,CN(c1ccccc1)c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.416904,False
10743,CN1CC2CC(CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C2)Cc2ccccc21,[*]N1CCN([*])C1=O,0.68017364,False
10744,CNc1ccc(C)cc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.6593725,False
10745,COc1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.48893833,False
10746,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3901199,False
10747,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)ccc1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31051564,False
10748,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3OCCF)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6225854,False
10749,COc1ccccc1C(=O)NCC=CCN1CCN(c2sccc2-c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34140208,False
10750,Cc1ccc(F)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8994011,False
10751,O=C(CNC(=O)c1cccc(F)c1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80749285,False
10752,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(O)nc3)cc2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50553685,False
10753,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1sccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39856297,False
10754,O=C(NCC=CCN1CCN(c2ccc3ccc(OCCF)cc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47988346,False
10755,O=C(NCC=CCN1CCN(c2ccc3ccncc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49349433,False
10756,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cnc[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88483703,False
10757,O=C(NCC=CCN1CCN(c2nc3ccccc3[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44317746,False
10758,O=C1N(CCN2C3CCCCC2Cc2ccccc2C3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.60577184,False
10759,O=C1N(CCN2CC3CCC2Cc2ccccc2C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5854215,False
10760,O=C1N(CCN2CCCN(CC(F)(F)F)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8433518,False
10761,O=C1N(CCNC2Cc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6749093,False
10762,C=C(C)N(CCC)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7523834,False
10763,CC(C)N1CCN(Cc2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.36402687,False
10764,CC1CN(CN2CCN(c3ccccc3Cl)C2=O)CO1,[*]N1CCN([*])C1=O,0.42768496,False
10765,CC1Cc2ccccc2N1CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.5193978,False
10766,CCCN(CCC)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.76033217,True
10767,CCCN(COCc1ccc(OC)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6050825,False
10768,CCCc1cccc2c1OCC(N(CC)CC(=O)c1ccc(C)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.27883992,False
10769,CCOc1c(C)ccc(SC)c1C(=O)NCC1CCCN1S(=O)(=O)OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.10987055,False
10770,CCOc1c(F)ccc(CCCCl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22018251,False
10771,COC1=CN2C=CC(=C1)C=C(N1CCN(CC=CCNC(=O)c3ccccc3OCCF)CC1)C=C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30315676,False
10772,COCC1CC2CC(N3CCN(c4cccc(Cl)c4)C3=O)C1N(C)C2,[*]N1CCN([*])C1=O,0.49095416,False
10773,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2Cl)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4612759,False
10774,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c(N)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9262355,False
10775,COc1ccc2c(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9497393,False
10776,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(O)c([O-])c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37267822,False
10777,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2CCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7422206,False
10778,Cc1cc(O)nc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9430383,False
10779,O=C(NCC=CCN1CCN(Cc2ccccn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40214846,False
10780,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2cccnc2)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8049,False
10781,O=C1N(CC2CCCCC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.4810763,False
10782,O=C1N(CC2CNC(Cc3ccccc3)c3ccccc32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.40030837,False
10783,O=C1N(CCN2CCC3CCCC2Cc2ccccc2C3)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.6079098,False
10784,O=C1N(CCN2CCNCC2F)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8099597,False
10785,O=C1N(CNC2CCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.49255356,False
10786,O=C1N(Cc2cccc(Cl)c2)CCN1Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.35396686,False
10787,O=C1N(c2ccc(CC(F)(F)F)cc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.43006238,False
10788,CC1CC(CN2CCN(c3cccc(Cl)c3)C2=O)CC(C)(C)C2CC12,[*]N1CCN([*])C1=O,0.6049228,False
10789,CCCCN(CCCN1C(=O)CCC2(CCCC2)CC1=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53156376,False
10790,CCCCN(c1ccc2ccccc2c1)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45279932,False
10791,CCN1CCCC1CNC(=O)c1c(C)ccc(CCCBr)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.64907265,False
10792,CCOc1c(C(=O)NCCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.76071703,False
10793,CN(Cc1ccccc1)CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.37319732,False
10794,CN(Cc1cccs1)CN1CCN(C2COOC2)C1=O,[*]N1CCN([*])C1=O,0.36381567,False
10795,COc1cccc(N2CCN(CC(C)NCc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.29491273,False
10796,COc1ccccc1N1CCN(CC=CCNC(=O)CNC(=O)c2cc3cc(O)ccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8713941,False
10797,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(OCCF)c(O)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89956295,False
10798,Cc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38806596,False
10799,Cc1ccc2c(c1)C(=O)N(CCN1CCN(CC3COOC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.45463207,False
10800,Nc1cccc(Cl)c1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8848833,False
10801,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.12803021,False
10802,O=C(NCC=CCN1CCN(NCCF)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.29302815,False
10803,O=C(NCC=CCN1CCN(c2ccc3ccccc3c2)CC1)c1sccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5045116,False
10804,O=C(NCC=CCN1CCN(c2ccccc2-c2ncccn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81261414,False
10805,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7946179,False
10806,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccncc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6772397,False
10807,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2c[nH]c(O)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8588548,False
10808,O=C1N(CCN2CCCCC3CCCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.70107436,False
10809,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ncc[nH]1,[*]N1CCN([*])C1=O,0.7784888,False
10810,O=C1N(CN2CCCCC2c2ccccc2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.22476079,False
10811,O=C1N(Cc2cc3ccccc3s2)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.246847,False
10812,O=C1c2ccccc2CCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7129758,False
10813,C=CCN(CCC)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7272889,False
10814,CC(C)c1cccc(N2CCN(CC3CCNCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.5066268,False
10815,CC1CCN(Cc2cccc(N3CCN(c4ccc(C(C)(C)C)cc4)C3=O)c2)CC1,[*]N1CCN([*])C1=O,0.6667268,False
10816,CCCCN(C(=O)c1ccno1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.36887074,False
10817,CCCOc1c(CC)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.29036048,False
10818,CCN(CC(C)C)C1COc2c(cccc2C(=O)c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.32632938,False
10819,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC12CCC(C)(CC1(C)C)C2,[*]N1CCN([*])C1=O,0.72782636,False
10820,CN(Cc1ccccc1)c1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39791977,False
10821,CN(c1ccccc1)c1ccc(N2CCN(CC=CCNC(=O)c3ccc(Cl)cc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5034884,False
10822,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccc(F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70898557,False
10823,COc1ccc(OCCNC(=O)NCC=CCN2CCN(c3ccc(Cl)cc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42545277,False
10824,COc1cccc(N2CCN(CN3CCN(Cc4ccccc4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.58039415,False
10825,COc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2[N+](=O)[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8573569,False
10826,CSc1c(C(=O)NCCN2CCN(c3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7644877,False
10827,Cc1cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)ccc1-c1cccc(O)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34357503,False
10828,O=C(NCC=CCN1CCN(c2c[nH]c3cc(Cl)ccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51205385,False
10829,O=C(NCC=CCN1CCN(c2ccc(OCCF)c(Br)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4605408,False
10830,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccn2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75763243,False
10831,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Cl)c(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9617933,False
10832,O=C(NCC=CCN1CCN(c2cccc3sccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74669605,False
10833,O=C(NCC=CCN1CCN(c2ccsc2-c2ccccc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59968275,False
10834,O=C(c1ccccc1)c1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82051915,False
10835,O=C1N(CCN2CCCCC3(CCCCC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7534532,False
10836,O=C1N(CNCC2CCCCC2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.20852515,False
10837,O=C1N(COCc2cccc(Cl)c2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.37210557,False
10838,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CCC2CCCCN2C1,[*]N1CCN([*])C1=O,0.2696906,False
10839,CC1(C)C2CCCC1(CN1CCN(c3cccnc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.3367387,False
10840,CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.35166976,False
10841,CCCCN(CC)C1COc2c(cccc2Oc2cccc(OC)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5631434,False
10842,CCCCOc1c(C)ccc(C)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14877795,False
10843,CCCN(CC(=O)c1cc2ccccc2o1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3287073,False
10844,CCCN(CCC)C1COc2c(cccc2-c2ccc(C)cn2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6209297,False
10845,CCCc1cccc2c1OCC(N(CC)Cc1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6344769,False
10846,CCN(CC(C)=O)C1COc2c(cccc2C(C)(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.32985884,False
10847,COc1c(C(=O)NCCN2CCN(c3ccccc3OC(C)=O)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.80306745,False
10848,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c2ccccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55627203,False
10849,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(OCCF)c4)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37414858,False
10850,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4F)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5942431,False
10851,COc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95224476,False
10852,Cc1cccc(C(=O)N2C3CCCC2CC(N2CCN(c4cccc(Cl)c4)C2=O)C3)c1,[*]N1CCN([*])C1=O,0.1992521,False
10853,Cc1coc(CN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.28503808,False
10854,Nc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5697685,False
10855,O=C(CNCc1ccccc1O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6876059,False
10856,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(Cl)cc3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50027174,False
10857,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cscn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9622283,False
10858,O=C(NCC=CCN1CCN(c2cccc3c2Cc2ccccc2N3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.61658555,False
10859,O=C1N(CC2CCC3CCC(C3)N2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6862476,False
10860,O=C1N(CCN2CC3CCCCC(CC3)C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.71097255,False
10861,O=C1N(CCN2CCCC3CCC2CC3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5909052,False
10862,O=C1N(CCN2CC[S+]([O-])CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.81940657,False
10863,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.88720095,False
10864,CC(c1ccc(Cl)cc1)N1CCN(CC2CCCCC2)C1=O,[*]N1CCN([*])C1=O,0.29541174,False
10865,CC1(C)C2CCC1(CNCCN1CCN(c3ccc(F)cc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.45465007,False
10866,CC12CCC(CNC1)Cc1c(cccc1N1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.43240196,False
10867,CCCCN(c1csc(C)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37309057,False
10868,CCCN(CCC)C1COc2c(cccc2S(C)(=O)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.78306323,False
10869,CCCc1cccc2c1OCC(N(CC)Cc1ccon1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.47244057,False
10870,CCCc1cccc2c1OCC(N(Cc1ccccc1)CC(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5787718,False
10871,CCOc1c(OC)ccc(C)c1C(=O)NCC1CCCN1C=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1596374,False
10872,CCc1ccc(C)c(C(=O)NCC2CCCN2CCCSC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.41118363,False
10873,CCc1cccc2c1OCC(N(C)Cc1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.45441282,False
10874,CONCc1ccc(N2CCN(CC=CCNC(=O)c3cccc(OCCF)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4276114,False
10875,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(C)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72838247,False
10876,COc1cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41892123,False
10877,COc1ccc2c(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)c[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9505075,False
10878,COc1ccccc1-c1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8344213,False
10879,Cc1cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)ccc1-c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3658432,False
10880,Cc1cccc2c(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c[nH]c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4871735,False
10881,Cc1ncc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9299994,False
10882,N#Cc1cc(Cl)cc(N2CCN(CC(F)(F)F)C2=O)c1,[*]N1CCN([*])C1=O,0.3505061,False
10883,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccccn2)ccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8721197,False
10884,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(OCCF)cc2nc(O)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9074909,False
10885,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(Br)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9227337,False
10886,O=C(NCC=CCN1CCN(c2cccc3c2Cc2ccccc2-3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7434316,False
10887,O=C(NCC=CCN1CCN(c2ncccc2OCCF)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44868356,False
10888,O=C1N(CCN2CCCC(C(F)(F)F)CC2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.79666764,False
10889,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.8693275,False
10890,O=C1N(Cc2cccc(Cl)c2)CCN1Cc1nc2ccccc2s1,[*]N1CCN([*])C1=O,0.32061005,False
10891,CC1CCCCN1CCN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.50253487,False
10892,CC1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC2(CCCC2)C1,[*]N1CCN([*])C1=O,0.8413522,False
10893,CCCCN(c1ccc(OC)cc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45093858,False
10894,CCCN(CCC)C1COc2c(cccc2-c2ccc(C(=O)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62336844,False
10895,CCCc1cccc2c1OCC(N(CCC)C(=O)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.33207995,False
10896,CCOc1c(C)ccc(SC)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14629158,False
10897,CCOc1cccc(CN2CCN(c3cscc3-c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.3220398,False
10898,CN1CCCCC1c1ccc(N2CCN(Cc3cccc(Cl)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.39390185,False
10899,CNC(CN1CCN(c2cccc(Cl)c2)C1=O)c1cccs1,[*]N1CCN([*])C1=O,0.4466584,False
10900,COCC12CC(CN3CCN(CCN4Cc5ccccc5C4)C3=O)CC1CC(C)(C)CN2,[*]N1CCN([*])C1=O,0.70318925,False
10901,COc1c(C(=O)NCCN2CCN(c3cccc([N+](=O)N(C)C)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7682259,False
10902,COc1cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4394256,False
10903,COc1cccc(N2CCN(CC(=O)NCc3cccs3)C2=O)c1,[*]N1CCN([*])C1=O,0.107445545,False
10904,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(C(=O)c3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39162323,False
10905,Cc1cccc(CN2CCCCC2CN2CCN(c3ccccc3Cl)C2=O)c1,[*]N1CCN([*])C1=O,0.28569615,False
10906,Cc1ccccc1Oc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32292032,False
10907,N#Cc1cccc(N2CCN(c3ccc(Cl)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.41058215,False
10908,O=C(CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O)NCc1cccc(F)c1,[*]N1CCN([*])C1=O,0.073603414,False
10909,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.10899523,False
10910,O=C(COc1ccccc1OCCF)NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36808947,False
10911,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2nccc(F)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9352549,False
10912,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Nc1ccccc1C(=O)C=C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8226495,False
10913,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ncco2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8873303,False
10914,O=C1N(CCN2CC3CCc4ccccc4CC(C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.69119054,False
10915,CC(C)c1cccc(N2CCN(CC(C)N3CCC(C)(C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.32330504,False
10916,CC1(C)C2CCCC1(CNCCN1CCN(c3cccc(Cl)c3F)C1=O)CC2,[*]N1CCN([*])C1=O,0.43339032,False
10917,CCC(NCN1CCN(c2ccsc2)C1=O)c1ccccc1,[*]N1CCN([*])C1=O,0.26163268,False
10918,CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7103218,False
10919,CCCN(CO)C1COc2c(cccc2C2CCNC(=O)C2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.544658,False
10920,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2cc3cc(OC)ccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8605716,False
10921,CCc1ccc(SC)c(C(=O)NCC2CCCN2Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22357707,False
10922,COc1c(C(=O)NCCN2CCN(S(=O)(=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.31873924,False
10923,COc1c(C(=O)NCCN2CCN(c3ccccc3[N+](=[N+])[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7813528,False
10924,COc1c(C(=O)NCCN2CCN(c3ccccc3[N+](C)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.80757904,False
10925,COc1ccc(N2CCN(CCN3CCC4CCC3Cc3ccccc3C4)C2=O)cc1,[*]N1CCN([*])C1=O,0.59782803,False
10926,COc1ccc2nccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8707067,False
10927,COc1cccc(OCCN2CCN(Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.42134795,False
10928,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Oc3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92315894,False
10929,Cc1cccc(N2CCN(CN(C)Cc3ccco3)C2=O)c1,[*]N1CCN([*])C1=O,0.3231401,False
10930,Cc1ncsc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.85177875,False
10931,Nc1cccc(C(=O)NCC=CCN2CCN(Cc3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37333333,False
10932,O=C(NCC=CCN1CCN(c2c(Cl)cccc2OCCF)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46310326,False
10933,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(O)c3)o2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41921875,False
10934,O=C(NCC=CCN1CCN(c2ccc(OCCF)cn2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40864724,False
10935,O=C(NCC=CCN1CCN(c2cccc(-c3ccsc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48286283,False
10936,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92818993,False
10937,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1csc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7114013,False
10938,O=C(NCC=CCN1CCN(c2coc(-c3ccc(O)cc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49036273,False
10939,O=C1N(CN2C3CCCCC2CCC3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.34101063,False
10940,C#CCN1CCN(CCN2CCN(c3ccccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.6445635,False
10941,C=CCc1ccc(CCCC)c(C(=O)NCC2CCCN2CCCC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.4523251,False
10942,CC1(C)CC2CCCC2(CNCN2CCN(c3ccccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.27173194,False
10943,CC1CCCCN1CCN1CCN(C2COOC2)C1=O,[*]N1CCN([*])C1=O,0.43461123,False
10944,CCCCN(CC)C1COc2c(C#N)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5999406,False
10945,CCCCN(CC)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5321237,False
10946,CCCN(C(=O)c1ccc(OC)cc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.22879179,False
10947,CCN1C2CCc3ccccc3CC(C)(C2)CC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.44358778,False
10948,CCOc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.833181,False
10949,CCc1ccc(C)c(OCCS)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19394752,False
10950,CCc1cccc2c1OCC(N(CC(C)O)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3458496,False
10951,CN(Cc1cccc(C#N)c1)CN1CCN(c2ccccc2F)C1=O,[*]N1CCN([*])C1=O,0.41659588,False
10952,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2OC(C)=O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38689804,False
10953,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2[N+](=O)OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.43192956,False
10954,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9754303,False
10955,COc1ccc(OCCF)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42490914,False
10956,COc1ccc(SC)c(OC)c1C(=O)NCC1CCCN1CCN(C)C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.45903957,False
10957,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(N)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42766038,False
10958,COc1ccccc1N1CCN(CC=CCNC(=O)NS(=O)(=O)c2ccc(F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8011002,False
10959,C[N+](=O)c1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4216632,False
10960,Cc1cccc(CCN(C)CN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.36685032,False
10961,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(Cl)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9017557,False
10962,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(-c2ccc(O)cc2)ccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8018854,False
10963,O=C1N(CC#Cc2ccccc2)CCN1c1ccc2c(c1)CCCC2,[*]N1CCN([*])C1=O,0.41860995,False
10964,O=C1N(CCN2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1c1ccc2c(c1)COCC2,[*]N1CCN([*])C1=O,0.65508276,False
10965,O=C1N(CCN2CCCc3sccc3C2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.6251003,False
10966,CC(=O)N1CC(CN2CCN(c3cccc(Cl)c3)C2=O)CCc2ccccc21,[*]N1CCN([*])C1=O,0.23521824,False
10967,CCCCCN(C(C)=O)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4161977,False
10968,CCCCN(OC)C1COc2c(CCCN3C(=O)CC4(CCCC4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57254946,False
10969,CCCCc1cccc2c1OCC(N(CC)CC(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.54764223,False
10970,CCCN(CCCCN1C(=O)CC2(CCCCC2)CC1=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.65510815,False
10971,CCCc1cccc2c1OCC(N(CO)CCCN1C(=O)CC3CCCC(CC3)C1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.46896702,False
10972,CCOc1c(C)ccc(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8255031,False
10973,CN(Cc1cc(C#N)co1)CN1CCN(c2ccc(F)c(F)c2)C1=O,[*]N1CCN([*])C1=O,0.3001531,False
10974,COCc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.92142624,False
10975,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(C)c2O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34417132,False
10976,COc1ccc2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4OC)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42038763,False
10977,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccccn3)cs2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87229353,False
10978,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87019813,False
10979,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccsc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9496883,False
10980,Cc1nc2ccc(N3CCN(CCN4Cc5ccccc5C4)C3=O)cc2s1,[*]N1CCN([*])C1=O,0.65579355,False
10981,O=C(CN1CCN(Cc2cccc(Cl)c2)C1=O)NCc1ccc(F)cc1,[*]N1CCN([*])C1=O,0.07980536,False
10982,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(Br)c2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84474885,False
10983,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccn[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9068873,False
10984,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(N2CCOCC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76953006,False
10985,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6324423,False
10986,O=C1N(CC23CCNCC(CC2)C3Cc2ccccc2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.39591748,False
10987,O=C1N(CCN2CC3CCC2Cc2ccccc2C3)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.5307357,False
10988,O=C1N(CCN2CCc3cc4occc4cc3C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.62283486,False
10989,O=C1N(CCN2CCc3ccccc3CC3(CCCCC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7563043,False
10990,CC1(C)CC2CCC1(C)CN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.70333666,False
10991,CC1(C)CCN(CCN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.764464,False
10992,CC1CCC2CC2CN(CCN2CCN(c3cccc(Cl)c3)C2=O)C(c2ccccc2)C1,[*]N1CCN([*])C1=O,0.70661503,False
10993,CC1Cc2ccccc2N1C(=O)CN1CCN(c2ccc(Cl)cc2Cl)C1=O,[*]N1CCN([*])C1=O,0.28411666,False
10994,CCCCc1ccc(NC)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7307045,False
10995,CCCN1CCC(C)c2ccc(CN3CCN(c4cccc(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.55470216,False
10996,CCCc1cccc2c1OCC(N(CC)C(=O)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.22768055,False
10997,CCN1CCN(C2CCCCN2CC)C1=O,[*]N1CCN([*])C1=O,0.2813723,False
10998,CCc1ccc(CC)c(C(=O)NCC2CCCN2C)c1OS,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24504545,False
10999,CCc1cccc2c1OCC(N(Cc1ccccc1C(F)(F)F)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.44473642,False
11000,CN(Cc1cc2ccccc2s1)CN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.445791,False
11001,CN1CC2(CCCN3CCN(c4ccc(Cl)cc4)C3=O)CCC(C)(C)CC12,[*]N1CCN([*])C1=O,0.4385792,False
11002,COC(C1CCc2ccccc2C1)N1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.46076676,False
11003,COc1c(N2CCN(CC=CCNC(=O)c3ccccc3Cl)CC2)ccc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53375554,False
11004,COc1cccc(-c2ccc(C)c(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83493483,False
11005,Cc1ccc(N2CCN(C3CCCCN3)C2=O)cc1,[*]N1CCN([*])C1=O,0.19677976,False
11006,N#Cc1cc(F)cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.89470136,False
11007,N#Cc1ccc2c(c1)N(CCN1CCN(c3cc(Cl)ccc3F)C1=O)CCC2,[*]N1CCN([*])C1=O,0.44943863,False
11008,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(O)cn3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4364941,False
11009,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Br)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97489184,False
11010,O=C(NCC=CCN1CCN(c2ccccc2Oc2ccncc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9069584,False
11011,O=C1N(CCN2CC3CCCC(C2)NCC3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.62799484,False
11012,O=C1N(CCOCc2ccc(Cl)cc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.77093554,False
11013,O=C1N(CN2CCCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.55665475,False
11014,O=C1N(Cc2cccc(Cl)c2)CCN1CN1CCCC(OCc2ccccc2)C1,[*]N1CCN([*])C1=O,0.4771291,False
11015,O=C1N(c2ccc3c(c2)-c2ccccc2C3)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.31672907,False
11016,O=C1N(c2cccc(Cl)c2)CCN1C1CCNCC1CF,[*]N1CCN([*])C1=O,0.5146444,False
11017,C=CCc1ccc(OC)c(C(=O)NCC2CCCN2Cl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.26353708,False
11018,CC(C)N1CCCCC1CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.37391675,False
11019,CCCCN(C(=O)c1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.23688488,False
11020,CCCN(C(C)C)C1COc2c(cccc2-c2ccccn2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.514656,False
11021,CCCN(CC1CCCCC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.607408,False
11022,CCCN(Cc1cc2ccccc2[nH]1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45832166,False
11023,CCN(Cc1ccc(C)cc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43741196,False
11024,CCN(Cc1cccs1)CN1CCN(c2cccc(Cl)c2Cl)C1=O,[*]N1CCN([*])C1=O,0.3048498,False
11025,CCOCC1CCCN1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5852779,False
11026,CCc1ccc(OC)c(OOC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25304282,False
11027,CCc1cccc2c1OCC(N(CC(C)C)C(=O)OC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.24958399,False
11028,CN(Cc1cc2ccccc2s1)CN1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.37553188,False
11029,CN1CCCCCC1CN1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.44050333,False
11030,CN1CCOc2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc21,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48963895,False
11031,COCC1C(C)CN(CCN2CCN(c3cccc(Cl)c3)C2=O)C2Cc3ccccc3CC12,[*]N1CCN([*])C1=O,0.64362663,False
11032,COc1ccc2ncc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38957745,False
11033,COc1cccc(OCCF)c1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.926251,False
11034,COc1cccc2c(N3CCN(CC=CCNC(=O)c4ccc(Cl)cc4OCCF)CC3)c[nH]c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5697053,False
11035,COc1ccccc1C(=O)NCC=CCN1CCN(c2c[nH]c(-c3ccccc3OC)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3800875,False
11036,Cc1ccc(CN(C)CN2CCN(c3cccc(Cl)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.43188977,False
11037,Cc1ccc(CNC(=O)CN2CCN(c3cccc(C(F)(F)F)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.14165914,False
11038,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48210135,False
11039,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1-c1ccc[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87285763,False
11040,O=C(NCC=CCN1CCN(c2cccc3c2CC=CC=C3F)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7247659,False
11041,O=C1N(CC2CNCCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.61665195,False
11042,O=C1N(CCN2CCCCCC2)CCN1Cc1cccs1,[*]N1CCN([*])C1=O,0.6394821,False
11043,O=C1N(CCN2CCCc3sccc3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.54766846,False
11044,O=C1N(CCNCc2ccccn2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.32322142,False
11045,CC(C)(C)N1CCc2ccc(CN3CCN(c4cccc(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.45752323,False
11046,CC(C)N(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48760706,False
11047,CCCCN(C(=O)c1c[nH]c(C)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.20297486,False
11048,CCCc1cccc2c1OCC(N(CC)Cn1cccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.67916197,False
11049,CCCc1cccc2c1OCC(N(CCC)c1ccc(S(=O)(=O)C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3927689,False
11050,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(OC(C)C)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3847673,False
11051,Cc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7306815,False
11052,Cc1ccc(-c2sccc2N2CCN(CC=CCNC(=O)c3c(F)cccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3812504,False
11053,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccc(O)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8166908,False
11054,Cc1coc(CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.41756302,False
11055,N#Cc1cccc(CN2CCN(CC(F)(F)F)C2=O)c1,[*]N1CCN([*])C1=O,0.415203,False
11056,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1ccc(F)cc1,[*]N1CCN([*])C1=O,0.12880571,False
11057,O=C(NCC=CCN1CCN(c2c[nH]cc2-c2ccccc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.603003,False
11058,O=C(NCC=CCN1CCN(c2cc(-c3cccc(O)c3)c[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46864492,False
11059,O=C(NCC=CCN1CCN(c2ccc(-n3ccnc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48331556,False
11060,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1cccc(Cl)c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5171049,False
11061,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C(O)C1c2ccccc2-c2ccccc21,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85993516,False
11062,O=C(NCC=CCN1CCN(c2cccc(Cl)c2OCCF)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6971701,False
11063,O=C(NCC=CCN1CCN(c2ccccc2[N+](=O)c2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80718344,False
11064,O=C(NCC=CCN1CCN(c2ccn(-c3ccc(F)cc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43553418,False
11065,O=C1N(CC2CCCNC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.43437475,False
11066,O=C1N(CCN2CC3CCC(CC3)C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.7121217,False
11067,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(COC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.67108804,False
11068,O=C1N(CCNC2CCCCC2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.41039005,False
11069,O=C1N(c2cccc(Cl)c2)CCN1C1CCN(Cc2cccc(Cl)c2)CC1,[*]N1CCN([*])C1=O,0.6813029,False
11070,C=CCOc1c(CC)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16257298,False
11071,CC(=O)NC1CCCc2ccc(N3CCN(c4ccc5sccc5c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.20395693,False
11072,CC12CC(CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1)C(C)(C)C2,[*]N1CCN([*])C1=O,0.8234382,False
11073,CC1CCc2ccc(N3CCN(c4ccccc4)C3=O)cc2C1O,[*]N1CCN([*])C1=O,0.3134064,False
11074,CCCCN(C1COc2c(CC)cccc2C1)C1(C(=O)O)CCCCC1,[*]CN([*])C1COc2c([*])cccc2C1,0.32965654,False
11075,CCOc1c(C)ccc(SC)c1C(=O)NCC1CCCN1C(=O)OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1559517,False
11076,CCc1cccc2c1OCC(N(CC(C)C)c1ccc(C(=O)O)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.23101017,False
11077,CN(CCN1CCN(Cc2ccccc2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.6819971,False
11078,CN1CCCC(CN2CCN(Cc3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.3625904,False
11079,COc1cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)ccc1-c1cccc(O)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37665993,False
11080,COc1cccc(N2CCN(CC(C)N3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.3032448,False
11081,COc1cccc(N2CCN(CC=CCNC(=O)C(=O)c3ccc4ccc(OCCF)cc4c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32441154,False
11082,COc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3C(F)(F)F)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6652431,False
11083,COc1cccc(N2CCN(CN(C)CC34CCC(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.53068066,False
11084,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccc(F)cc3)c[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43097976,False
11085,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2N)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7472995,False
11086,Cc1c(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c[nH]c1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46929124,False
11087,Cc1ccc(N2CCN(CC3CCCC4CCCCN43)C2=O)cc1,[*]N1CCN([*])C1=O,0.2317732,False
11088,Cc1ccc(O)cc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91736907,False
11089,O=C(NCC=CCN1CCN(c2cc(OCCF)cc3ccc(O)cc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56433725,False
11090,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5051704,False
11091,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccc(OCCF)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4296921,False
11092,O=C1N(CC2CCCNC2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.3983696,False
11093,O=C1N(CCC2CCCNC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.4474408,False
11094,O=C1N(CCN2CC3CCC(C2)C(c2ccccc2)C3)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.6723934,False
11095,O=C1N(Cc2cccc(Cl)c2)CCN1CC1CCCCO1,[*]N1CCN([*])C1=O,0.2661994,False
11096,O=C1N(Cc2cccc(Cl)c2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.34585243,False
11097,O=C1N(Cc2ccccc2Cl)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.34032676,False
11098,CC(N1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1)C(F)(F)F,[*]N1CCN([*])C1=O,0.8762415,False
11099,CC1CCCCN1CCN1CCN(C(C)C)C1=O,[*]N1CCN([*])C1=O,0.36116618,False
11100,CCCCN(C)C1COc2c(cccc2-c2ccc(OC(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5562293,False
11101,CCCCN(C1COc2c(CC)cccc2C1)C(O)c1ccoc1,[*]CN([*])C1COc2c([*])cccc2C1,0.5178564,False
11102,CCCN(CCC)C1COc2c(cccc2-c2ccc[nH]2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.81854683,False
11103,CCCN(CO)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6061525,False
11104,CCCSc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.60551184,False
11105,CCCc1cccc2c1OCC(N(CBr)CCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6348806,False
11106,CCN1CCCC1CNC(=O)c1c(C)ccc(C)c1OCCCCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6370775,False
11107,CCNC1CCC(CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6381039,False
11108,CCc1ccc(F)c(C(=O)NCC2CCCN2SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25806946,False
11109,COc1c(C(=O)NCCN2CCN(C(=O)c3cccc(Cl)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.26411203,False
11110,COc1ccc2scc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84423846,False
11111,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3F)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7167951,False
11112,COc1cccc(N2CCN(CCOC(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.618467,False
11113,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Cl)cc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9349448,False
11114,Cc1ccc(N2CCN(CC3CNOC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.2959114,False
11115,O=C(N=Cc1ccc(-c2ccc[nH]2)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7077459,False
11116,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(O)cc3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5089341,False
11117,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1cc2cc(O)ccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45869803,False
11118,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Br)cc1OCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85787416,False
11119,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2cc(O)[nH]c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7910702,False
11120,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1ccc(F)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5426992,False
11121,O=C(NCC=CCN1CCN(c2ncccn2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42580312,False
11122,O=C1N(CCN2CC3CCC2CC3c2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.774134,False
11123,O=C1N(CCc2cccc(Cl)c2)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.44119152,False
11124,O=C1N(c2cccc(Cl)c2)CCN1C1CC2CCC(CC2)Cc2ccccc21,[*]N1CCN([*])C1=O,0.47731873,False
11125,CC(C)Oc1cccc(N2CCN(Cc3ccc(Cl)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.30458066,False
11126,CC1CCCCC1N1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.2931855,False
11127,CC1Cc2ccccc2CC2CCC1CCN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.68237364,False
11128,CCCCN(C1COc2c(CC)cccc2C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.37333637,False
11129,CCCc1cccc2c1OCC(N(CCC)c1cc3ccccc3s1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6895695,False
11130,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2N(C)C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8100784,False
11131,CCc1ccc(C)c(OOC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17450386,False
11132,COCC1C(CN2CCN(c3cccc(Cl)c3)C2=O)CCC2CC1N2Cc1ccccc1,[*]N1CCN([*])C1=O,0.5900923,False
11133,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.41409323,False
11134,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45724407,False
11135,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c(N)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.736257,False
11136,COc1ccc(F)c(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46072298,False
11137,COc1cccc(N2CCN(C3CCCCN3Cc3ccc4ccccc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3016509,False
11138,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(Cl)cc3)o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37895682,False
11139,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(-c3ccc([N+](=O)[O-])cc3)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33198568,False
11140,O=C(NCC=CCN1CCN([N+](=O)c2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2692632,False
11141,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43385822,False
11142,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1)c1ccc(-c2ncccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6251994,False
11143,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1-c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93821526,False
11144,O=C(NCC=CCN1CCN(c2ccccc2-c2ccccc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6927853,False
11145,O=C(NCC=CCN1CCN(c2ncccc2-c2ccc(F)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4435787,False
11146,O=C1N(CCN2Cc3ccccc3C2)CCN1C(F)c1cccnc1,[*]N1CCN([*])C1=O,0.80035037,False
11147,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccnc1,[*]N1CCN([*])C1=O,0.83745104,False
11148,O=C1c2ccccc2CCCN1CCCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.62521344,False
11149,CC1(C)CCC2CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1C2,[*]N1CCN([*])C1=O,0.71647555,False
11150,CC1Cc2ccccc2N1C(C)CN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.50722164,False
11151,CCCN1C2Cc3ccccc3CC(C2)CC1CN1CCN(c2ccc3c(c2)OCO3)C1=O,[*]N1CCN([*])C1=O,0.50625557,False
11152,CCCc1cccc2c1OCC(N(CCC)Cc1cnoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6325799,False
11153,CCN(CCC(C)C)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4888576,False
11154,CN(C)CC12CNCCC1(C)CC(N1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.46479747,False
11155,COCC1C2CCC1CN(CN1CCN(Cc3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.5337038,False
11156,COc1c(C(=O)NCCN2CCN(OCc3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.46511343,False
11157,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccncc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73198664,False
11158,COc1cc(F)ccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8829424,False
11159,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(OC(F)(F)F)c3F)CC2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39320928,False
11160,COc1cccc2c1CCc1cccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7241175,False
11161,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(C)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9409199,False
11162,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccnc(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96309674,False
11163,Cc1cc(-c2ccccc2)ncc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7109028,False
11164,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1scc2ccccc12,[*]N1CCN([*])C1=O,0.114702165,False
11165,O=C(NCC=CCN1CCN(c2cc(F)cc(Cl)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5137639,False
11166,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C(=O)OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7664323,False
11167,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C(=O)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8702234,False
11168,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c2ccc(OCCF)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89587635,False
11169,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(C(=O)Oc2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8220825,False
11170,O=C(NCC=CCN1CCN(c2cccc(F)n2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.513222,False
11171,O=C(NCC=CCN1CCN(c2ncccn2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44136602,False
11172,O=C1N(CC2CCCCC2)CCN1c1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.43321502,False
11173,O=C1N(CCN2CCCCCC2)CCN1CC(F)(F)c1ccccc1,[*]N1CCN([*])C1=O,0.7318525,False
11174,O=C1N(c2cccc(CN3CCCCC3)c2)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.36425394,False
11175,C#Cc1ccc(C(O)c2cccc3c2OCC(N(CCC)CCC)C3)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.659759,False
11176,CC(C)N1CCN(c2ccccc2C#N)C1=O,[*]N1CCN([*])C1=O,0.18687154,False
11177,CCCN(C)CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7767742,False
11178,CCCc1cccc2c1OCC(N(CF)CCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.72474086,False
11179,CCN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8534176,False
11180,CCOc1ccc(S(=O)(=O)O)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.76301163,False
11181,CN(C)CCN1CCN(CC2CCCOC2)C1=O,[*]N1CCN([*])C1=O,0.30225548,False
11182,CN(CCN1CCN(c2ccc(F)c(Cl)c2)C1=O)CC12CCC(CC(C)(C)C1)C2,[*]N1CCN([*])C1=O,0.48806593,False
11183,CN1CCC(C)(CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.60642016,False
11184,CN1CCc2cc(N3CCN(c4cccc(C(F)(F)F)c4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.46294835,False
11185,COc1c(N2CCN(c3cc(C)no3)C2=O)ccc2ccccc12,[*]N1CCN([*])C1=O,0.14734267,False
11186,COc1ccc2ccc(N3CCN(CC=CCNC(=O)c4ccccc4Cl)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39824453,False
11187,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8856304,False
11188,COc1cccc(N2CCN(CC3CCC(CN4CCCCCC4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.46718648,False
11189,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32910728,False
11190,N#Cc1cccc(N2CCN(CCN3CC4CCCC3CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.6357619,False
11191,O=C(NCC=CCN1CCN(c2cc3cc(Cl)ccc3[nH]2)CC1)c1cc(Cl)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4072311,False
11192,O=C(NCC=CCN1CCN(c2ccc(O)cc2)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50758976,False
11193,O=C(NCC=CCN1CCN(n2c(O)ccc2-c2ccc(Br)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.27937722,False
11194,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(OCC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.8012279,False
11195,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.5994294,False
11196,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(O)cc(F)c1,[*]N1CCN([*])C1=O,0.8003101,False
11197,O=C1N(CCNc2cc3ccccc3s2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.38947082,False
11198,O=C1N(CN2CC3CCCOCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5188763,False
11199,CC(C)N1CCN(CCN2CCN(Cc3cccc(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.67122006,False
11200,CC(C)c1cccc(N2CCN(Cc3cccc(OC(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.30560237,False
11201,CC1CCCCN1CCN1CCN(c2ccc3sccc3c2)C1=O,[*]N1CCN([*])C1=O,0.47516307,False
11202,CC1CCCN(C(=O)N2CCN(CCN3Cc4ccccc4C3)C2=O)C1,[*]N1CCN([*])C1=O,0.32084143,False
11203,CCCCN(CCN1C(=O)CC(C)(C)CC1=O)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5673241,False
11204,CCCN(CC1CCC(=O)CC1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6160103,False
11205,CCCN(CCC)C1COc2c(cccc2-c2ccc(OC)c(OC)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.813895,False
11206,CCCN(CCC)C1COc2c(cccc2C2CC(=O)CCC2=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.68663466,False
11207,CCCN(Cc1ccc(C(F)(F)F)s1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.60663056,False
11208,CCSOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18690477,False
11209,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3977258,False
11210,COc1cccc(N2CCN(c3cc4ccccc4s3)C2=O)c1,[*]N1CCN([*])C1=O,0.21295878,False
11211,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3cccc(OC)c3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8588822,False
11212,Cc1cccc(-c2c(C(=O)NCCN3CCN([N+](=O)[O-])CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.28471315,False
11213,Cc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(N)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69189143,False
11214,Cc1ccsc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88757175,False
11215,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(Cl)cc3)o2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39017725,False
11216,O=C(NCC=CCN1CCN(c2ccc(-c3ccnc(F)c3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45740724,False
11217,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1)c1cccc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6899559,False
11218,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccsc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87853795,False
11219,O=C(NCc1ccc(F)cc1)N1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.100950524,False
11220,O=C1N(CCN2Cc3ccccc3C2)CCN1CC1(O)CCCCC1,[*]N1CCN([*])C1=O,0.78209645,False
11221,O=C1N(Cc2ccc(Cl)cc2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.45365664,False
11222,O=C1N(c2ccc(F)cc2)CCN1C1CCCCN(Cc2cccc(Cl)c2)C1,[*]N1CCN([*])C1=O,0.4490141,False
11223,O=C1N(c2cccc(Cl)c2)CCN1C1CC2CCNCC2Cc2ccccc2C1O,[*]N1CCN([*])C1=O,0.32532603,False
11224,CC(C)Oc1ccccc1C(=O)NCC=CCN1CCN(c2cc3ccccc3o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36066923,False
11225,CC1CCCCN(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.57245654,False
11226,CC1Cc2ccccc2N1CCN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.58772343,False
11227,CCCCN(c1ccc(CO)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41733134,False
11228,CCCCN1CCCC1CNC(=O)c1c(CC)ccc(C)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.367368,False
11229,CCCN(C(C)C)C1COc2c(cccc2C(O)c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.60293424,False
11230,CCCN(CC(C)=O)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.527009,False
11231,CCCN(F)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52521175,False
11232,CCN(Cc1ccc(OC)cc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5327049,False
11233,CCN1CCCC1CNC(=O)c1c(OC)ccc(C=O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9194964,False
11234,CCOc1c(SCC)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5792981,False
11235,COc1cc(Br)cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6171883,False
11236,COc1ccc(-c2ccsc2N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37571037,False
11237,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92297375,True
11238,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)sc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9620085,False
11239,COc1cccc(N2CCN(CC=CCNC(=O)c3c(C)cccc3F)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.20676537,False
11240,Cc1cc(CN(C)CCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)on1,[*]N1CCN([*])C1=O,0.5528012,False
11241,Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.8739135,False
11242,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4855284,False
11243,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1cc([N+](=O)[O-])ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42057067,False
11244,O=C(NCC=CCN1CCN(c2cccc(-c3ccccc3)c2F)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68186647,False
11245,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Cl)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93499726,False
11246,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccncc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9106027,False
11247,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1-n1ccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81165105,False
11248,O=C1N(CCN2CCCc3cc([N+](=O)[O-])ccc3C2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.43023977,False
11249,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(-c2ccc(Cl)cc2)c1,[*]N1CCN([*])C1=O,0.8953432,False
11250,CC(C)CN1CCNC1CN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.3093396,False
11251,CCCCN(CC)C1COc2c(cccc2OC(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5938379,False
11252,CCCCc1ccc(OC)c(C(=O)NCC2CCCN2CCC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.51004344,False
11253,CCN1CCN(CCN2CC3CCCCC32)C1=O,[*]N1CCN([*])C1=O,0.42787102,False
11254,CN(C)CC12CCC(N3CCN(c4ccc(F)c(F)c4)C3=O)CC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.41415823,False
11255,CN(C)c1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73653895,False
11256,CNc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3824093,False
11257,COCC12CCC(CC1)C2(C)CN1CCN(CCc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.46274126,False
11258,COc1c(C(=O)NCCN2CCN(c3ccccc3CO[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8336638,False
11259,COc1c(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)ccc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6390208,False
11260,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(C)c(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37462205,False
11261,Cc1cc(Cl)ccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8383459,False
11262,N#Cc1cccc(N2CCN(CC(=O)NCc3cccs3)C2=O)c1,[*]N1CCN([*])C1=O,0.16485068,False
11263,N#Cc1cccc(N2CCN(CCN3CCc4ccsc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.75388896,False
11264,Nc1cc(N2CCN(CCN3CCCCCC3)C2=O)cs1,[*]N1CCN([*])C1=O,0.8519746,False
11265,O=C(NCC=CCN1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.17410713,False
11266,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(O)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96130025,False
11267,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc([N+](=O)c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9052663,False
11268,O=C(NCC=CCN1CCN(c2ccns2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42541394,False
11269,O=C(NCC=CCN1CCN(c2csc(-c3ccc(Cl)cc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4764252,False
11270,O=C(NCCN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cc(Br)c2ccccc2c1Cl,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7352115,False
11271,O=C1N(CCN2CC3CCCCCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6096514,False
11272,O=C1N(CCN2CCCCc3sccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5451619,False
11273,O=C1N(Cc2cccc(OC(F)(F)F)c2)CCN1CC1COCCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.31383258,False
11274,O=C1N(c2cccc(Cl)c2)CCN1C1CC1c1ccccc1,[*]N1CCN([*])C1=O,0.3809836,False
11275,O=C1N(c2cccc(Cl)c2)CCN1C1CCC(OCc2ccccc2)CC1,[*]N1CCN([*])C1=O,0.55933154,False
11276,C=CCCN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.39425528,False
11277,CC(C)Oc1cccc(N2CCN(CC3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.31935543,False
11278,CC(CN1CCN(c2cccc(Cl)c2)C1=O)c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.44131362,False
11279,CC1C2CCCCC(C2)N1CCN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.38230547,False
11280,CCCCN(C1CCCC(=O)C1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4019877,False
11281,CCCCN(CCC)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6584186,False
11282,CCCc1cccc2c1OCC(N(COC)C1(C(C)=O)CCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.28780958,False
11283,CCOc1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.41852054,False
11284,CCOc1c(C)ccc(S(N)(=O)=O)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14932722,False
11285,CCOc1c(CC)ccc(C)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16517629,False
11286,CN1CCc2sccc2CC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6139923,False
11287,COc1ccccc1CC(=O)NCC=CCN1CCN(c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8058348,False
11288,Cc1ccc(N2CCN(CCc3cccc(OC(F)(F)F)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.33199885,False
11289,Cc1cccnc1-c1ccc(C(=O)NN2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.22722271,False
11290,Cc1coc(CN2CCN(Cc3ccc(F)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.24671304,False
11291,Cc1csc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.27173114,False
11292,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(CF)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.960901,False
11293,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc(F)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.822175,False
11294,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccccc2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87346923,False
11295,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(Oc2ccc(OCCF)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9604035,False
11296,O=C1N(CC2CCc3ccsc3C2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.48069265,False
11297,O=C1N(CC2CNCCN2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.44803676,False
11298,O=C1N(CCN2CCCCc3ccccc3C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.65036005,False
11299,O=C1N(CCNC2Cc3ccccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.49817264,False
11300,O=C1N(CCc2ccccc2)CCN1C1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.56196654,False
11301,O=C1N(CN2CCCC(COCc3ccccc3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6119193,False
11302,CC(=O)OCCN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5483913,False
11303,CCCCN(C(C)C)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46524957,False
11304,CCCCN(CC)C1COc2c(cccc2C(F)(F)c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5423832,False
11305,CCCCN(CC)C1COc2c(cccc2S(=O)(=O)c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.31502846,False
11306,CCCN(Cc1ccoc1)C1COc2c(cccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.74666953,False
11307,CCCN1CCC(N2CCN(c3ccccc3)C2=O)Cc2ccsc21,[*]N1CCN([*])C1=O,0.45845595,False
11308,CCCc1cccc2c1OCC(N(CO)c1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.51724106,False
11309,CCOc1c(C(C)C)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25605702,False
11310,CCOc1c(OC)ccc(S(C)=O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27376375,False
11311,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc([O-])cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35279635,False
11312,COc1c(C(=O)NCCN2CCN(c3cc(O)cc([N+](=O)[O-])c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.81474054,False
11313,COc1ccc(-c2ccccc2C(=O)NCC=CCN2CCN(c3ccc4c(c3)Cc3ccccc3-4)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3644848,False
11314,COc1ccccc1C(=O)N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.297081,False
11315,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc([N+](=O)[N+](=O)[O-])cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3889416,False
11316,Cc1cccc(N2CCN(CC3CNCCO3)C2=O)c1,[*]N1CCN([*])C1=O,0.41009662,False
11317,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3Cl)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3544713,False
11318,O=C(CN1CCN(c2ccccc2)C1=O)NCc1scc2ccccc12,[*]N1CCN([*])C1=O,0.058034588,False
11319,O=C(NCC=CCN1CCN(c2cc3cc(O)ccc3o2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.456668,False
11320,O=C(c1ccccc1)c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45678654,False
11321,O=C1N(CN2CCN(Cc3cccc(Cl)c3)CC2)CCN1c1cccc2sccc12,[*]N1CCN([*])C1=O,0.5132347,False
11322,O=C1N(CNC2CCCc3sccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.396744,False
11323,O=C1N(Cc2cc3ccccc3s2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.23284455,False
11324,O=C1N(Cc2ccc(Cl)cc2)CCN1CN1CCC(C(F)(F)F)CC1,[*]N1CCN([*])C1=O,0.65130997,False
11325,O=C1N(c2ccc3ccccc3c2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.29962665,False
11326,O=C1c2ccccc2C(=O)N1CCN1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.4641382,False
11327,CC(C)c1cccc(N2CCN(CCN3Cc4ccccc4C3C)C2=O)c1,[*]N1CCN([*])C1=O,0.6769022,False
11328,CCCCN(CC)C1COc2c(cccc2S(=O)(=O)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42990914,False
11329,CCCN(CC1CCC1)C1COc2c(cccc2C(=O)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4138565,False
11330,CCCc1cccc2c1OCC(N(CCC)n1ccc(C(F)(F)F)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6125343,False
11331,CCN(CC)CCN1CCN(CC(F)(F)F)C1=O,[*]N1CCN([*])C1=O,0.4268363,False
11332,CCN(CO)C1COc2c(Cc3ccc(C)s3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4080159,False
11333,COc1c(C(=O)NCCN2CCN(c3ccc([N+]([O-])=[N+]=O)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.84346926,False
11334,COc1cc(OCCF)ccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5988294,False
11335,COc1ccc(C(=O)NC(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83169097,False
11336,COc1ccc([N+](=O)[O-])c(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47067496,False
11337,COc1cccc(-c2c(C)cccc2C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75663257,False
11338,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(-c4ccsc4)cc3)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3742054,False
11339,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(-c4ncccc4C)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39267728,False
11340,COc1cccc(CN2CC(N3CCN(c4cccc(Cl)c4)C3=O)CO2)c1,[*]N1CCN([*])C1=O,0.46880913,False
11341,COc1ccccc1C(=O)NCC=CCN1CCN(Cc2cc3ccccc3s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.24819773,False
11342,COc1ccccc1C(=O)NCC=CCN1CCN(c2[nH]ccc2-c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36354038,False
11343,O=C(NCC=CCN1CCN(c2cc3cc(OCCF)ccc3[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40384454,False
11344,O=C(NCC=CCN1CCN(c2cccc(Cl)n2)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6132502,False
11345,O=C(NCC=CCN1CCN(c2cccc(F)c2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4749756,False
11346,O=C(NCC=CCN1CCN(c2ccccc2CCF)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76391506,False
11347,O=C1N(CC2CCNCC2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.464042,False
11348,O=C1N(CCN2CCCc3sccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8388328,True
11349,O=C1N(CCN2Cc3ccccc3C2)CCN1C1COCOC1,[*]N1CCN([*])C1=O,0.73345333,False
11350,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc([N+](=O)[O-])c1,[*]N1CCN([*])C1=O,0.6482697,False
11351,O=C1N(CN2CCC(Cc3ccccc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.67167276,False
11352,C=Cc1cccc2c1OCC(N(CCCC)c1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.50972587,False
11353,CC1(C)C2CCCC1(CN1CCN(c3ccccc3Cl)C1=O)CC2,[*]N1CCN([*])C1=O,0.30765468,False
11354,CC1(C)CCN(CCN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.730003,False
11355,CC1Cc2ccccc2N1C(=O)CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.4513024,False
11356,CCOc1c(OC)ccc(CC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8527029,False
11357,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc([O-])c([N+](=O)[O-])c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33608243,False
11358,COc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8053992,False
11359,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(OC)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46353188,False
11360,COc1ccc2ccccc2c1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88791615,False
11361,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccccc3)cs2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8845575,False
11362,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3Br)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8987183,False
11363,C[N+]c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41894788,False
11364,Cc1cc(N2CCN(CC3CCc4occc4C3)C2=O)cs1,[*]N1CCN([*])C1=O,0.42490876,False
11365,Cc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6604439,False
11366,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51865673,False
11367,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(Cl)ccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.8923428,False
11368,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ncccc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.899928,False
11369,O=C(NCC=CCN1CCN(c2ccccc2O)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7792882,False
11370,O=C(c1ccccc1)c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41730154,False
11371,O=C1N(CCN2CCCCCC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.8111279,True
11372,O=C1N(CCN2Cc3ccccc3CC3CCCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.74589217,False
11373,O=C1N(CCn2cc3ccccc3c2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.5739873,False
11374,O=C1N(c2ccc3ccsc3c2)CCN1C1NCC2CCCc3ccccc3CC1CC2,[*]N1CCN([*])C1=O,0.3113699,False
11375,C#Cc1cccc(CN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.8015717,False
11376,C=CCN(c1ccc(C(F)(F)F)cc1)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5110346,False
11377,CC1Cc2ccccc2C(CN2CCN(c3cccc(Cl)c3)C2=O)N1,[*]N1CCN([*])C1=O,0.66632396,False
11378,CC1NCCC1CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.45321426,False
11379,CCCc1cccc2c1OCC(N(CC)CC([O-])c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.53232306,False
11380,CCNCCc1ccc(C)c(C(=O)NCC2CCCN2O)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.13309671,False
11381,CCOc1c(C)ccc(Cl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19957042,False
11382,CCc1ccc(C)c(OCS(C)(=O)=O)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15624957,False
11383,CN1C=CC=CC=C1C(=O)C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7491886,False
11384,CN1CCCCCC1N1CCN(c2ccncc2)C1=O,[*]N1CCN([*])C1=O,0.26339892,False
11385,COc1cccc(C#Cc2cccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8970218,False
11386,COc1cccc2c1CCC(N1CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC1)C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38308343,False
11387,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3c(OC)cccc3o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83436954,False
11388,Cc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccc(Cl)c(Cl)c4)CC3)cc2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37739733,False
11389,Cc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3F)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51609004,False
11390,Cc1sc(-c2ccccc2)cc1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.41880077,False
11391,N#Cc1cccc(N2CCN(CCN3CCCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.77867377,False
11392,O=C(CCOc1ccccc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68895936,False
11393,O=C(NCC=CCN1CCN(c2ccc(-c3cc(CF)c[nH]3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44077635,False
11394,O=C(NCC=CCN1CCN(c2ccc(F)c(Cl)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45628625,False
11395,O=C(NCC=CCN1CCN(c2cccc3ccccc23)CC1)c1cccc(C(F)(F)F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6596699,False
11396,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5399268,False
11397,O=C1N(CCNCc2cc3ccccc3s2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4248117,False
11398,O=C1N(CCOCc2ccccc2Cl)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.7100874,False
11399,O=C1N(c2ccc(F)c(Cl)c2)CCN1C1CCCN(CCc2ccccc2)CC1,[*]N1CCN([*])C1=O,0.7941863,False
11400,CCCCN(CC)C1COc2c(Cc3ccc(F)cc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5215366,False
11401,CCCc1ccc(O)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2868575,False
11402,CCCc1cccc2c1OCC(N(CCC)c1ccc(C(F)(F)F)cn1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.61523765,False
11403,CCN(CC(C)C)C1COc2c(cccc2C(=O)O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.33345026,False
11404,CCc1ccc(CO)c(OO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20347902,False
11405,CCc1cccc2c1OCC(N(CCC(C)C)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5021859,False
11406,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1cc(F)cs1,[*]N1CCN([*])C1=O,0.7011607,False
11407,CNc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7967147,False
11408,COC1CCCc2cccc(N3CCN(CCN4Cc5ccccc5C4)C3=O)c21,[*]N1CCN([*])C1=O,0.7161585,False
11409,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc([N+](C)[O-])cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3244457,False
11410,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccnc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6948938,False
11411,COc1cc(OC)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8969701,False
11412,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35878637,False
11413,COc1cccc(CN2CCN(c3ccncc3)C2=O)c1,[*]N1CCN([*])C1=O,0.27824572,False
11414,COc1ccccc1-c1cc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)cn1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7540025,False
11415,Cc1ccc(C)c(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8632158,False
11416,Cc1cccc(CN2CCN(c3csc4ccccc34)C2=O)c1,[*]N1CCN([*])C1=O,0.29312068,False
11417,Cc1nc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1-c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7751446,False
11418,O=C(NCC=CCN1CCN(c2ccc(Cl)c(O)n2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46173814,False
11419,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92299664,False
11420,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cn[nH]c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92287374,False
11421,O=C(NCC=CCN1CCN(c2ccn(-c3ccccc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4641865,False
11422,O=C1N(CCN2COC3CCC(Cc4ccccc4C3)C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.5690312,False
11423,O=C1N(CN2CCCCC2c2cccc(Cl)c2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.36169982,False
11424,O=C1N(Cc2ccccc2)CCN1C1CCCCc2ccccc21,[*]N1CCN([*])C1=O,0.4569425,False
11425,C=S(O)(O)=COc1c(C)ccc(CCC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17678049,False
11426,C=[N+](C)c1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.77376175,False
11427,CC(C)Oc1cccc(CN2CCN(CCN3CCN(C(C)C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.56155896,False
11428,CC1(C)CCC2(CNCCN3CCN(c4cccc(Cl)c4)C3=O)CCCC12,[*]N1CCN([*])C1=O,0.63804597,False
11429,CCCCN(CC)C1COc2c(cccc2C(=O)c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4127792,False
11430,CCCN(CC(C)=O)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5471873,False
11431,CCOCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5060759,False
11432,CCOc1ccc2[nH]c(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87235725,False
11433,CCc1ccc(C)c(C(=O)NCC2CCCN2Br)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16647659,False
11434,CN(Cc1cccc2ccccc12)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4612935,False
11435,COc1ccccc1CCC(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56613827,False
11436,Cc1ccc(C)c(C(=O)NCC2CCCN2C)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18400168,False
11437,Cc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9291389,False
11438,Cc1cccc(N2CCN(C3NCC4CCC3Cc3ccccc3N(C)C4)C2=O)c1,[*]N1CCN([*])C1=O,0.46278027,False
11439,N#CNCc1cccc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.37788868,False
11440,N#Cc1ccc2c(c1)CN(CCN1CCN(c3cccc(F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.7400223,False
11441,N#Cc1cccc(C2CCCN(CCN3CCN(c4ccccc4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.85781384,False
11442,N#Cc1cccc(N2CCN(CC3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.61775964,False
11443,O=C(NCC=CCN1CCN(c2cc(-c3ccc(Cl)cc3)[nH]n2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47544637,False
11444,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc([N+](=O)[O-])c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8887015,False
11445,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1cccc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7453604,False
11446,O=C(NCC=CCN1CCN(c2cncc(OCCF)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4462888,False
11447,O=C1N(CC2(O)CCCCC2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.20559245,False
11448,O=C1N(Cc2ccccc2)CCN1C1CCc2ccncc2C1,[*]N1CCN([*])C1=O,0.41848212,False
11449,CC(C)(C)c1ccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.85713905,False
11450,CC(C)(C)c1cccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.77551407,False
11451,CC(O)c1cccc(N2CCN(CCN3CCN(C(C)C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.7405866,False
11452,CCCCCN(CC)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53633505,False
11453,CCCCN(OC)C1COc2c(CC(=O)N3CCCCC3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.19006254,False
11454,CCCN(CCC)C1COc2c(cccc2-c2ccc(N(C)C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7749708,False
11455,CCCN(CO)C1COc2c(CCCNC(=O)OC(C)(C)C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37262335,False
11456,CCCc1cccc2c1OCC(N(CCC)C(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6647256,False
11457,CCN(CN1CCN(CCN2Cc3ccccc3C2)C1=O)C(C)C,[*]N1CCN([*])C1=O,0.77430654,False
11458,CCc1ccc(Br)c(C(=O)NCC2CCCN2Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24988763,False
11459,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(N)c2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38407356,False
11460,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40753186,False
11461,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(OCCF)c4)CC3)cc2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39338642,False
11462,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c(C)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42175972,False
11463,COc1ccc2c(c1)C(C(=O)NCC=CCN1CCN(c3cccc(Cl)c3Cl)CC1)CCC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7693549,False
11464,COc1ccc2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38114262,False
11465,COc1cccc(N2CCN(CN(C)Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.4493618,False
11466,COc1ccccc1-c1c(C(=O)NCCN2CCN(Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.44925225,False
11467,O=C(NCC=CCN1CCN(c2cc3ccccc3cn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43353903,False
11468,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1csc(-c2ccc(Cl)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9219504,False
11469,O=C(NCC=CCN1CCN(c2ccccc2COCCF)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77940345,False
11470,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(Br)cs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88597405,False
11471,O=C(NCC=CCN1CCN(n2cccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3302887,False
11472,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.7737065,False
11473,O=C1N(CCN2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.7213136,False
11474,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc2c1C(O)CCC2,[*]N1CCN([*])C1=O,0.6798971,False
11475,CC(C)OC1CCCCc2cccc(N3CCN(c4cccc(Cl)c4)C3=O)c21,[*]N1CCN([*])C1=O,0.3886992,False
11476,CC1CCCCCN1CCN1CCN(c2ccncc2)C1=O,[*]N1CCN([*])C1=O,0.4438511,False
11477,CCCc1cccc2c1OCC(N(CCCN1C(=O)CC(C)(C)CC1=O)CC(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5205048,False
11478,CCN(Cc1ccccc1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5123258,False
11479,CCN1CCN(COCC#Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.31868193,False
11480,CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19559324,False
11481,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccccc2[N+](=O)[O-])CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.61995703,False
11482,COc1ccc(-c2cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36828992,False
11483,COc1ccccc1CC1CCNCC1N1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.24887405,False
11484,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccn3c(OC)ccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8286164,False
11485,COc1ccccc1N1CCN(CC=CCNC(=O)c2nccc3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8965502,False
11486,Cc1ccc(CO)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9039984,False
11487,Cc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64194244,False
11488,Cc1cccnc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37308753,False
11489,N#Cc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4507183,False
11490,Nc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(OCCF)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43666226,False
11491,O=C(Cc1ccccn1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7664274,False
11492,O=C(NCC=CCN1CCN(C2=CNc3ccccc3O2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40918973,False
11493,O=C(NCC=CCN1CCN(c2cccc(-c3ccccc3)n2)CC1)c1ccccc1C(F)(F)F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44828734,False
11494,O=C1N(CCC2CCCCN2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.6624329,False
11495,O=C1N(CCN2CC3CCC2CC3)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.45794588,False
11496,O=C1N(CCN2CCCc3ccsc3C2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.69073033,False
11497,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc(-c2ccccc2)ns1,[*]N1CCN([*])C1=O,0.793116,False
11498,O=C1N(CN2CCC(OCc3ccccc3)C2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.6135647,False
11499,O=C1N(CN2CCN(CCc3ccccc3)CC2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.5887334,False
11500,CC(C)C1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.93773705,False
11501,CC(C)c1cccc(N2CCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3560779,False
11502,CC1CC2CC(C)(CN(C)CN3CCN(c4cccc(Cl)c4)C3=O)CCC12,[*]N1CCN([*])C1=O,0.5513468,False
11503,CC1CCCN(CCN2CCN(c3cccc(C#N)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.75538546,False
11504,CC1Nc2ccccc2C[S+]1(C)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.61762065,False
11505,CCCCc1cccc2c1OCC(N(CC)Cc1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5784169,False
11506,CCCN(CC(C)=O)C1COc2c(CC3C(=O)CC4(CCCC4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37842506,False
11507,CCc1ccc(Cl)c(C(=O)NCC2CCCN2Cl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.26719862,False
11508,CCc1cccc2c1OCC(N(CC(C)C)c1cccc(C(F)(F)F)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3941776,False
11509,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2Cc2cccc(Cl)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.42587093,False
11510,COc1c(C(=O)NCC=CCN2CCN(c3ccc(-c4ccccc4)cn3)CC2)cccc1C(F)(F)F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35022375,False
11511,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7948699,False
11512,COc1cccc(C(=O)NCC=CCN2CCN(c3cc(Cl)ccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.57647914,False
11513,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3c(OCCF)cccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3838077,False
11514,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3C)cc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7182369,False
11515,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(CCc3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9105807,False
11516,COc1cccnc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7689041,False
11517,Cc1cc(CN(C)CCN2CCN(c3ccccc3)C2=O)ccn1,[*]N1CCN([*])C1=O,0.41887128,False
11518,Cc1ccccc1N1CCN(CC2CCCCN2Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.28978732,False
11519,N#CCN1CCN(CCN2CCCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.6529789,False
11520,Nc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3Cl)CC2)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7870598,False
11521,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.2699149,False
11522,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccsc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47429898,False
11523,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1)c1ccc(-c2ccncc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55963516,False
11524,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccncc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8442485,False
11525,O=C1N(CN2CC3CCCCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.68844646,False
11526,O=C1N(c2ccccc2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.26530385,False
11527,C=CCc1ccc(OC)c(OBr)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20982148,False
11528,CCCCN(CC)C1COc2c(cccc2-c2ccc(C(C)(C)O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48459244,False
11529,CCCCN(c1cc2ccccc2[nH]1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4319981,False
11530,CCCN(C(C)C)C1COc2c(cccc2-c2ccc(C(=O)O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.36571106,False
11531,CCCSCc1ccc(C)c(OCC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1557269,False
11532,CCCc1ccc(C)c(OO)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.56491005,False
11533,CCCc1cccc2c1OCC(N(CC)CC(C)(O)c1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.60006124,False
11534,CCCc1cccc2c1OCC(N(CC)c1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6033694,False
11535,CCCc1cccc2c1OCC(N(CCC)Cc1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.68419325,False
11536,CCN1CCCC1CNC(=O)c1c(C)ccc(Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.83648837,False
11537,CCOc1ccc(S)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8278033,False
11538,COC(=O)c1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8596087,False
11539,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(Cl)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.44851995,False
11540,COc1c(C(=O)NCCN2CCN(c3cccc(OC(F)(F)F)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.75486565,False
11541,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3902561,False
11542,COc1cc(F)ccc1C(=O)NCC=CCN1CCN(c2ccc(O)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37917393,False
11543,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)[nH]2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91275895,False
11544,COc1ccccc1C(=O)NCC=CCN1CCN(C=Cc2ccc[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.21833692,False
11545,Cc1ccccc1N1CCN(C2CCCNCC2)C1=O,[*]N1CCN([*])C1=O,0.24027757,False
11546,O=C(CN1CCN(c2ccc(Cl)cc2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.16014135,False
11547,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cc(OCCF)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92266786,False
11548,O=C(NCC=CCN1CCN(c2cccc(Oc3cccc(Cl)c3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4589868,False
11549,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78826404,False
11550,O=C1N(CC2CCCCN2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.49697676,False
11551,O=C1N(CCN2CC3CCCC2CC3)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4839008,False
11552,O=C1N(c2cccc(C(F)(F)F)c2)CCN1c1ccccc1OCC1CCCNC1,[*]N1CCN([*])C1=O,0.2874774,False
11553,CC(=O)CN(C)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.26378888,False
11554,CCCCN(CC)C1COc2c(cccc2C(=O)c2ccc3ccccc3c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.35515988,False
11555,CCCCN(CC)C1COc2c(cccc2S(=O)(=O)c2cccc(OC)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42174298,False
11556,CCCCN(c1ccc(C(C)(C)O)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40993923,False
11557,CCCCc1ccc(C)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16764894,False
11558,CCCN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.42077944,False
11559,CCCOC1CCCc2ccc(N3CCN(c4cc5ccccc5s4)C3=O)cc21,[*]N1CCN([*])C1=O,0.4162262,False
11560,CCc1ccc(O)c(C(=O)NCC2CCCN2CCS[O-])c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.43763664,False
11561,CN(CC1CC2CCC1Cc1ccccc1C2)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.53404415,False
11562,COC(=O)N(CC(C)C)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.27376226,False
11563,COC(C)N1CCN(CC2Cc3ccccc3N2C(C)C)C1=O,[*]N1CCN([*])C1=O,0.5575991,False
11564,COCC1C2CCC1CN(CCN1CCN(c3ccccc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.6071979,False
11565,COc1c(C(=O)NCCN2CCN(c3ccc(C[O-])cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8428247,False
11566,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78205264,False
11567,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39869368,False
11568,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)C(=O)CCC3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66417634,False
11569,N#Cc1cccc(CN2CCN(C3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.4050988,False
11570,O=C(NCC=CCN1CCN(c2ccc(-c3c[nH]c(O)c3)cc2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46300662,False
11571,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NCc1cccc(F)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7531537,False
11572,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc([N+](=O)[O-])ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8883209,False
11573,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2cc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8944056,False
11574,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9339912,False
11575,O=C(NCCN1CCN(O[O-])CC1)c1cc(Br)c2ccccc2c1-c1ccccc1Cl,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.45550954,False
11576,O=C1N(CC2CCc3occc3C2)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.4372234,False
11577,O=C1N(CCN2CCCOC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.65562075,False
11578,C=CCOc1c(OC)ccc(SC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21757029,False
11579,CC1(C)Cc2ccccc2CN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.70485646,False
11580,CCCN(C(C)C)C1COc2c(Cc3ccc(OC)cc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6052424,False
11581,CCCN(CCC)C1COc2c(cccc2C(=O)c2coc(C)cc2=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5042931,False
11582,CCCN(Cc1ccoc1)C1COc2c(COC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.68045574,False
11583,CCc1ccc(C)c(OO)c1C(=O)NCC1CCCN1[O-],[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16184011,False
11584,CCc1ccc(S)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8809573,False
11585,CNc1ccc(OCCF)c(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8606577,False
11586,COc1cc(-c2ccccc2)ccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8980038,False
11587,COc1cc(-c2ccccc2C)ccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50445926,False
11588,COc1ccc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)c(C)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3700795,False
11589,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9628708,False
11590,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3)cn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9107205,False
11591,Cc1cc(N2CCN(CCN3CCCCCC3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.76883185,False
11592,Cc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.76536787,False
11593,Nc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4346907,False
11594,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1ccccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.43058562,False
11595,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1cccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54264915,False
11596,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2nc(O)c[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9469155,False
11597,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccnn1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7607031,False
11598,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ncccc1OCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9103054,False
11599,O=C(NCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1cc(Br)c2ccccc2c1[N+](=O)[O-],[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.71941096,False
11600,O=C1N(CC(=O)N2CCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.20249972,False
11601,O=C1N(CC2CCCCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6848275,False
11602,O=C1N(CCN2CCN(Cc3coc4ccccc34)CC2)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.6847673,False
11603,O=C1N(CCN2CCc3cc(Cl)ccc3C2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.6199984,False
11604,C=CCOc1c(CC)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24700332,False
11605,CC(C)N1CCCN(CCCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.77100885,False
11606,CC(CN1CCN(c2cccc(Cl)c2)C1=O)N1CC2CCC(C)(CC2)C1,[*]N1CCN([*])C1=O,0.5000636,False
11607,CC1(C)CC(N2CCN(c3ccc(F)cc3)C2=O)CCN1,[*]N1CCN([*])C1=O,0.28166613,False
11608,CCCCN(C1COc2c(CC)cccc2C1)n1cccc1,[*]CN([*])C1COc2c([*])cccc2C1,0.5271572,False
11609,CCCCN(c1ccccc1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53666323,False
11610,CCCN(CCC)C1COc2c(cccc2-n2ccc(OC)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7095783,False
11611,CCCc1cccc2c1OCC(N(CC)CC(F)(F)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.56244004,False
11612,CCN1CCC(C)c2ccccc2Cc2ccc(N3CCN(c4ccccc4)C3=O)cc21,[*]N1CCN([*])C1=O,0.42939767,False
11613,CCOCN1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.653618,False
11614,CN(CN1CCN(c2ccc(F)cc2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.5762049,False
11615,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2SC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.40243134,False
11616,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccc(Cl)cc4Cl)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49717554,False
11617,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c2cc(O)cc-2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8951332,False
11618,COc1cccc(C(C)N2CCN(c3cccc(CN(C)C)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.21898136,False
11619,COc1cccc(CN2CCCCC2N2CCN(c3cccc(Cl)c3F)C2=O)c1,[*]N1CCN([*])C1=O,0.27890676,False
11620,COc1cccc(N2CCN(CC3CCN(C)C(=O)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.4850446,False
11621,Cc1cccnc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(F)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77087426,False
11622,O=C(NCC=CCN1CCN(c2cccc(-c3ccc(O)cc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5598477,False
11623,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(C#Cc2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9366859,False
11624,O=C1N(CCN2CC3CCCCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8251302,False
11625,O=C1N(Cc2cccc(Cl)c2)CCN1CC1CNCCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.33859757,False
11626,O=C1N(Cc2cccc3c2CNCC3)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.40215334,False
11627,O=C1N(c2cccc(Cl)c2)CCN1C(F)(F)C1CCN(Cc2cccc(F)c2)CC1,[*]N1CCN([*])C1=O,0.7144642,False
11628,O=C1N(c2cccc(Cl)c2)CCN1C1CNCCC12CCCCc1ccccc12,[*]N1CCN([*])C1=O,0.4103897,False
11629,CC(c1ccccc1)N1CCC(CN2CCN(Cc3cccs3)C2=O)CC1,[*]N1CCN([*])C1=O,0.35885802,False
11630,CC1CCOc2ccc(N3CCN(CC(=O)N4c5ccccc5CC4C)C3=O)cc21,[*]N1CCN([*])C1=O,0.29111743,False
11631,CCCN(CC(=O)c1ccc(-c2ccccc2)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4025068,False
11632,CCN1CCCC1CNC(=O)c1c(OC)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9659369,True
11633,CN(CCCl)CCN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.5656067,False
11634,COc1c(C(=O)NCCN2CCN(c3ccccc3[N+](=O)N(C)C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8350203,False
11635,COc1cc2c[nH]c(O)c2cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8946376,False
11636,COc1ccc(F)cc1C(=O)NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48814908,False
11637,Cc1cc(CN2CCN(CC(F)(F)F)C2=O)cs1,[*]N1CCN([*])C1=O,0.27241096,False
11638,Cc1cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)ccc1-c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39747685,False
11639,N#Cc1cccc(C2CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.9292889,False
11640,O=C(NCC=CCN1CCN(c2ccc(OCCF)nc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47916588,False
11641,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)Nc1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71263605,False
11642,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2ccc(O)nc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9341125,False
11643,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ncccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8699223,False
11644,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2cccs2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92485267,False
11645,O=C(NCC=CCN1CCN(c2ncccc2OCCF)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49367553,False
11646,O=C1N(CC2CCCNC2)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.39878342,False
11647,O=C1N(CC2COc3ccccc3C3(CCCCC3)N2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.46813226,False
11648,O=C1N(CC2Cc3ccccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.53204596,False
11649,O=C1N(CN2CC3Cc4ccccc4CC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.55294853,False
11650,O=C1N(CNCc2cccc3sccc23)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.24376231,False
11651,O=C1N(Cc2ccc3c(c2)CCCCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.44827077,False
11652,O=C1N(Cc2cccc(Cl)c2)CCN1CC1CCC1,[*]N1CCN([*])C1=O,0.39054352,False
11653,O=C1N(OCCc2csc3ccccc23)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.43233585,False
11654,C=CCc1ccc(OC)c(C(=O)NCC2CCCN2CCCCCl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.44024852,False
11655,CC(C)C12CCC(CN(C)CCN3CCN(c4ccccc4)C3=O)CCC1C2,[*]N1CCN([*])C1=O,0.5680344,False
11656,CC(CN1CCN(c2cccc(Cl)c2)C1=O)c1ccc2c(c1)CCN2C,[*]N1CCN([*])C1=O,0.45894802,False
11657,CC1Cc2ccccc2N1CCN1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.55620456,False
11658,CCCCN(c1ccsc1)C1COc2c(cccc2C2CCCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5094673,False
11659,CCCN1CCCCC1N1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.34313303,False
11660,CCCc1cccc2c1OCC(N(COC)C1CCCC(=O)C1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.39065462,False
11661,CCN(Cc1ccc(F)cc1)N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.3338658,False
11662,CCn1c(CN2CCN(c3cccc(OC(C)C)c3)C2=O)cc2ccccc21,[*]N1CCN([*])C1=O,0.19795324,False
11663,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2[N+]Cc2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3609355,False
11664,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39696315,False
11665,COc1ccc2[nH]c(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97743016,True
11666,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2C)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73940164,False
11667,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(C#Cc4ccccc4)c3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47725347,False
11668,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc3cc(OCCF)ccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7096101,False
11669,N#Cc1cccc(CNC(=O)CN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.13818944,False
11670,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(OCCF)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97489184,False
11671,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2ccsc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9487934,False
11672,O=C(NCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O)c1ccccc1,[*]N1CCN([*])C1=O,0.12799415,False
11673,O=C1N(CCN2CCCC(c3ccc(Cl)cc3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.9081514,False
11674,O=C1N(CCN2CCc3sccc3C2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.58614856,False
11675,O=C1N(Cc2ccccc2)CCN1C1CCCC(c2ccccc2)C1,[*]N1CCN([*])C1=O,0.35981783,False
11676,O=C1N(c2cccc(C(F)(F)F)c2)CCN1C1CCc2ccsc2CC1,[*]N1CCN([*])C1=O,0.4411532,False
11677,O=C1N(c2ccccc2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.21692099,False
11678,CCCCN(C1COc2c(CC)cccc2C1)S(=O)(=O)C(F)(F)F,[*]CN([*])C1COc2c([*])cccc2C1,0.50098175,False
11679,CCCCN(CCC)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71915895,False
11680,CCCCOc1c(O)ccc(CC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6922669,False
11681,CCCCc1ccc(O)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.82324636,False
11682,CCCN(Cc1ccc(C(=O)O)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46777612,False
11683,CCOc1c(CO)ccc(Br)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20656976,False
11684,CCc1cccc2c1OCC(N(Cc1ccc(F)cc1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.46768355,False
11685,COCC1Cc2ccccc2N1CCN1CCN(CC(F)(F)F)C1=O,[*]N1CCN([*])C1=O,0.5874438,False
11686,COCc1ccccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.761779,False
11687,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4)CC3)cn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4594222,False
11688,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(Br)cc3)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3715524,False
11689,COc1cccc(CCN2CCN(Cc3ccc(C)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.3209023,False
11690,COc1cccc(N2CCN(CC=CCNC(=O)c3ccc(-c4ccccc4OC)o3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30353382,False
11691,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccccn3)ccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5407315,False
11692,C[N+]1CNC(CN2CCN(c3cccc(C#N)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.54515195,False
11693,Cc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ncc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8659529,False
11694,Cc1ccc(N2CCN(C3CCCCCN3C)C2=O)cc1F,[*]N1CCN([*])C1=O,0.23968479,False
11695,Cc1ccccc1Oc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78555703,False
11696,O=C(NCC=CCN1CCN(c2cc(-c3ccccc3)c[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4329348,False
11697,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(O)n3)cc2)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54323083,False
11698,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccc(O)[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9491366,False
11699,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCF)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93309385,False
11700,O=C1N(CC2CCc3sccc3C2O)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.47612292,False
11701,O=C1N(CCN2CCCC3CCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.81788725,False
11702,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc2c(c1)CCCC2,[*]N1CCN([*])C1=O,0.6974454,False
11703,CC(CN1CCN(c2ccc(F)c(Cl)c2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.4231139,False
11704,CC(NCC12CCC(CC1)C2(C)C)N1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.27710357,False
11705,CCCN(C(C)C)C1COc2c(cccc2-c2cc(C(=O)O)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4045034,False
11706,CCCN(CCC)C1COc2c(cccc2-c2cc(C(F)(F)F)ccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.70165235,False
11707,CCN1CCN(CCN2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.66407746,False
11708,CCOc1c(C)ccc(CCCS)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15957846,False
11709,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3247318,False
11710,COc1cccc(CN2CCCC(N3CCN(C(C)C)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.41996267,False
11711,COc1cccc(N2CCN(CCN3CCC4CCC3Cc3ccccc3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.6771358,False
11712,COc1ccccc1N1CCN(C2CCCNC2)C1=O,[*]N1CCN([*])C1=O,0.23495929,False
11713,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3cccc(C)c3s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7570256,False
11714,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(SC)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87229174,False
11715,Cc1cccc(CN2CCN(c3ccccc3Cl)C2=O)c1,[*]N1CCN([*])C1=O,0.2433069,False
11716,O=C(NCC=CCN1CCN(NCc2ccc(Cl)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28332865,False
11717,O=C(NCC=CCN1CCN(c2ccc3c(c2)OCCC3)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37837142,False
11718,O=C(NCC=CCN1CCN(c2ccnc(OCCF)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51993644,False
11719,O=C1N(CCN2CC3CCCC(CC3)C2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.58978367,False
11720,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1Cc1cccs1,[*]N1CCN([*])C1=O,0.76355976,False
11721,O=C1N(CCN2CCCC(Cc3ccccc3)C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.6276167,False
11722,O=C1N(CCN2CCCC(c3ccc(Cl)cc3)C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.7660775,False
11723,O=C1N(CCN2CCCc3sccc3C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.64251685,False
11724,O=C1N(CCN2CCCc3sccc3C2)CCN1Cc1cccc(F)c1,[*]N1CCN([*])C1=O,0.6022921,False
11725,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(F)cc1Cl,[*]N1CCN([*])C1=O,0.85897774,False
11726,O=C1N(CCn2cccc2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.621892,False
11727,O=C1N(c2cccc(C(F)(F)F)c2)CCN1C1COc2ccccc2C1,[*]N1CCN([*])C1=O,0.47483668,False
11728,O=C1N(c2cccc(Cl)c2)CCN1c1ccccc1OCC1CCCNC1,[*]N1CCN([*])C1=O,0.3833814,False
11729,O=C1N(c2ccccc2)CCN1C(F)OCC1CCCN1,[*]N1CCN([*])C1=O,0.27537003,False
11730,CCCCN(c1ccc(C(F)(F)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47908485,False
11731,CCCN(c1ccccc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5643825,False
11732,CCCN1CCCCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.516642,False
11733,CCN(CC)C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7802336,False
11734,CCOc1c(CC)ccc(C)c1C(=O)NCC1CCCN1CCSC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.38133967,False
11735,CN1CCC(N2CCN(Cc3cccc(Cl)c3)C2=O)CC1(C)C,[*]N1CCN([*])C1=O,0.36477506,False
11736,COc1c(C(=O)NCCN2CCN(c3ccccc3C(=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8248793,False
11737,COc1ccc(C)occc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7929725,False
11738,COc1ccc(O)c(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5699874,False
11739,COc1cccc(N2CCN(C3CCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.4524186,False
11740,COc1cccc2[nH]cc(C(=O)NCC=CCN3CCN(c4ccccc4F)CC3)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.62750405,False
11741,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(O)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43609992,False
11742,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9235155,False
11743,Cc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39514357,False
11744,N#Cc1cccc(N2CCN(CC(=O)NCc3cccnc3)C2=O)c1,[*]N1CCN([*])C1=O,0.13555449,False
11745,O=C(NCC=CCN1CCN(c2ccc3c(c2)C=CC=Cc2ccccc2C3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36632058,False
11746,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2[N+](=O)[O-])cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8622743,False
11747,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1Oc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8730057,False
11748,O=C(NCC=CCN1CCN(c2cccs2)CC1)c1cccc([N+](=O)[O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.29656804,False
11749,O=C1N(CC2CCCON2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.37972194,False
11750,O=C1N(CCN2CC3CCCc4ccccc4CC2CC3)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5526861,False
11751,O=C1N(CCN2CCCC(OCC(F)(F)F)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.88483936,False
11752,O=C1N(CN2CCCC(Cc3ccccc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.60187876,False
11753,O=C1N(CNCc2cccc(Cl)c2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.22524701,False
11754,O=C1N(c2cccc(Cl)c2)CCN1c1ccc2c(c1)CCc1ccccc1C2,[*]N1CCN([*])C1=O,0.4344412,False
11755,CC1(C)C2CCC1(CN1CCN(c3ccccc3Cl)C1=O)CC2,[*]N1CCN([*])C1=O,0.33591217,False
11756,CCCN(CO)C1COc2c(CCN3CCCCC3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5047254,False
11757,CCCc1cccc2c1OCC(N(C)Cc1ccc(Cl)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5588318,False
11758,CCN1CCN(CC(=O)N2CCc3ccc(Cl)cc32)C1=O,[*]N1CCN([*])C1=O,0.26456413,False
11759,CN1c2ccccc2CC2CCC1CNC(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.63411814,False
11760,COc1c(C(=O)NCCN2CCN(c3cc[s+](OC)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.88285327,False
11761,COc1ccc(CN2CCN(c3cccc(OC(C)C)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.29103106,False
11762,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3cccc(O)c3)cs2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3852328,False
11763,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(OCCF)nc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4645176,False
11764,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cccnc3O)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39732513,False
11765,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c(-c3cccc(O)c3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8726004,False
11766,O=C(C=CCNOc1ccccc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7538258,False
11767,O=C(NCC=CCN1CCN(c2c[nH]c(-c3ccc(F)cc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40365854,False
11768,O=C(NCC=CCN1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5637481,False
11769,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2ncc[nH]2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9090507,False
11770,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9229809,False
11771,O=C(NCCN1CCN(Cl)CC1)c1cc(Br)c2ccccc2c1-c1ccccc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38224176,False
11772,O=C1CCc2sccc2CN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.59238434,False
11773,O=C1N(CC2Cc3ccsc3CCN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.56114084,False
11774,O=C1N(CCN2CCCOC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.6856597,False
11775,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.74163246,False
11776,O=C1N(Cc2ccccc2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.2824187,False
11777,O=C1N(Cc2cccs2)CCN1CC1CCCOC1,[*]N1CCN([*])C1=O,0.33590794,False
11778,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1c1ccc2c(c1)Cc1ccccc1CCNC2,[*]N1CCN([*])C1=O,0.42464954,False
11779,O=Cc1ccc([N+](=O)[O-])cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87587285,False
11780,CC(C)c1cccc2c1OCC(N(CO)CCCN1C(=O)CCCC1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5185029,False
11781,CCCN(CCC)C1COc2c(cccc2C(C)(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.79978114,False
11782,CCCc1ccc(Cl)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.62020445,False
11783,CCCc1cccc2c1OCC(N(CC)Cc1ccc(Br)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.65173596,False
11784,CN(CN1CCN(c2ccsc2)C1=O)CC12CCC(CC1)CC2(C)C,[*]N1CCN([*])C1=O,0.56697565,False
11785,CNCCOCN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.28975746,False
11786,COCC1CCCN1CN1CCN(c2cc(F)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.34039694,False
11787,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2N(C)C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4573734,False
11788,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc3cccc(OC)c23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6088604,False
11789,COc1ccccc1N1CCN(CC=CCNC(=O)Cc2ccc(Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7787753,False
11790,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C(=O)NCc3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89712423,False
11791,Cc1ccc(-c2ccc(F)cc2)nc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84108204,False
11792,Cc1ccc(N2CCN(c3ccc4c(c3)Cc3ccccc3S4)C2=O)cn1,[*]N1CCN([*])C1=O,0.26219642,False
11793,Cc1cccc(N2CCN(CCN3C4CCCC3Cc3ccccc3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.60132754,False
11794,N#Cc1cccc(N2CCN(C3CCCCN3Cc3ccc(Cl)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.3769043,False
11795,N#Cc1cccc(N2CCN(CCNC3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.47167277,False
11796,O=C(NCC=CCN1CCN(c2ccc3c(c2)-c2ccccc2C3)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49965894,False
11797,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NC(=O)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9087592,False
11798,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(Cl)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9477654,False
11799,O=C(NCC=CCN1CCN(c2cccc3cc(O)cc-3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50139576,False
11800,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(Cl)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89746267,False
11801,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2cc(F)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95149064,False
11802,O=C1N(CCN2CCCCCCC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.7955524,False
11803,O=C1N(CCN2Cc3ccccc3O2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5429898,False
11804,O=C1N(COC2CCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5993605,False
11805,C#CCN(CN1CCN(c2cccc(Cl)c2)C1=O)c1ccccc1,[*]N1CCN([*])C1=O,0.50806344,False
11806,CC(C)N1CCN(CN2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.37377885,False
11807,CCCCN(c1cccc(O)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45926756,False
11808,CCCc1cccc2c1OCC(N(CCC)c1ccc(C(C)=O)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.36912584,False
11809,CCc1ccc(C)c(OC)c1C(=O)NCC1CCCN1CCCF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.45022216,False
11810,COc1ccc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)c(OC)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35851416,False
11811,COc1cccc2c1Cc1c(cccc1C(=O)NCC=CCN1CCN(c3cccc(Cl)c3Cl)CC1)C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8707124,False
11812,COc1cccc2cc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)[nH]c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42431435,False
11813,Cc1cc(CNCCN2CCN(c3cccc(Cl)c3)C2=O)c2ccccc2n1,[*]N1CCN([*])C1=O,0.40137967,False
11814,Cc1cccc2c1OCC(N(CC(C)C)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3957355,False
11815,Nc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(F)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84232676,False
11816,O=C(NCC=CCN1CCN(C=CCOc2cccc(Cl)c2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28891656,False
11817,O=C(NCC=CCN1CCN(c2cc[nH]c2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70349425,False
11818,O=C(NCC=CCN1CCN(c2ccc(-c3ccncc3)cc2)CC1)c1c(F)cccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38856205,False
11819,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2ccc(OCCF)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9225047,False
11820,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cscc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84569544,False
11821,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5932985,False
11822,O=C(NCC=CCN1CCN(c2cccc3c2Cc2ccccc2C(O)C3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60533494,False
11823,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47341716,False
11824,O=C1N(CC2CCCNC2)CCN1c1cccc(-c2ccsc2)c1,[*]N1CCN([*])C1=O,0.5130752,False
11825,O=C1N(CCN2CCC(O)CC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.76683456,False
11826,O=C1N(CCN2Cc3ccccc3C2)CCN1c1csc(-c2ccccc2)c1,[*]N1CCN([*])C1=O,0.81014836,False
11827,O=C1N(CCc2cc(Cl)cc(Cl)c2)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.7912256,False
11828,O=C1N(Cc2ccc3c(c2)CCCC3)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.39427057,False
11829,O=C1N(c2ccc(F)cc2)CCN1C1CCCCCN1,[*]N1CCN([*])C1=O,0.23045115,False
11830,CC(C)C1CCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1=O,[*]N1CCN([*])C1=O,0.736294,False
11831,CC1(C)CCC2CC(C)(CN2CCN2CCN(c3ccc(Cl)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.5476108,False
11832,CC1N(CCN2CCN(c3cccc(Cl)c3)C2=O)CCCC2CC1(C)C2(C)C,[*]N1CCN([*])C1=O,0.675142,False
11833,CCCCN1CCCC1CNC(=O)c1c(OC)ccc(CCC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.534998,False
11834,CCCN(CC(=O)NC(=O)c1ccco1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.32416195,False
11835,CCCN(Cc1ccsc1C(=O)c1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45801672,False
11836,CCCN(O)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6012452,False
11837,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40892166,False
11838,CN(C)C(CN1CCN(c2cccc(Cl)c2)C1=O)C1CCCc2ccccc21,[*]N1CCN([*])C1=O,0.5735729,False
11839,CN(Cc1coc2ccccc12)CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.31875047,False
11840,CN1CCN(CCN2CCN(Cc3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6136397,False
11841,COc1ccc(-c2c[nH]c(N3CCN(CC=CCNC(=O)c4cccc(OCCF)c4)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43074113,False
11842,COc1cccc(CN2Cc3ccccc3CC2N2CCN(c3ccc(Cl)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.42036313,False
11843,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3cccc(OC)c3o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37485045,False
11844,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cccc4ccccc34)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4047568,False
11845,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccnc3cc(O)ccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8972329,False
11846,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1[nH]cc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88458705,False
11847,O=C(NCC=CCN1CCN(c2cccc(OCCF)n2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45897645,False
11848,O=C(NCC=CCN1CCN(c2ccccc2OCF)CC1)c1ccc(CCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.906629,False
11849,O=C1N(CC2CCC(c3ccccc3)NC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6193556,False
11850,O=C1N(CC=Cc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3986353,False
11851,O=C1N(CCN2CC3CCc4ccccc4CC(CC3)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.65952414,False
11852,O=C1N(CCN2CCc3sccc3C2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.65306264,False
11853,O=C1N(CCOC2CCCCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.54413074,False
11854,O=C1N(Cc2cc3ccccn3n2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.43495792,False
11855,O=C1N(Cc2ccc(Cl)cc2)CCN1CC1CCCNC1,[*]N1CCN([*])C1=O,0.3833166,False
11856,CC(C)c1cccc(N2CCN(C3CCCCCN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.29728827,False
11857,CC(CN1CCN(c2cccc(Cl)c2F)C1=O)N1CCC(C(F)(F)F)CC1,[*]N1CCN([*])C1=O,0.2829577,False
11858,CC1CCN(C)c2ccc(N3CCN(c4cccc(Cl)c4)C3=O)cc2Cc2ccccc21,[*]N1CCN([*])C1=O,0.54388404,False
11859,CCCC1CC2CC2N(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.71758485,False
11860,CCCCN(CC)C1COc2c(cccc2-c2ccc(C(C)=O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.38823512,False
11861,CCCN(C)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.69943213,False
11862,CCCc1cccc2c1OCC(N(CO)CCN1CCC(C(C)=O)CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6470041,False
11863,CCOc1c(Cl)ccc(Cl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23610112,False
11864,CCc1cccc2c1OCC(N(Cc1cc(C)co1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3585863,False
11865,CN(CC1CCCCC1)CN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.4314538,False
11866,CN(Cc1cccc(C#N)c1)CN1CCN(c2ccccn2)C1=O,[*]N1CCN([*])C1=O,0.3296903,False
11867,COCC1CCCN(CN2CCN(c3cccc(C(F)(F)F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.5224115,False
11868,COc1c(C(=O)NCCN2CCN(C3=C(C)[N+](N)C=CC=C3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.80001235,False
11869,COc1cc(Br)cc(C(=O)NCC=CCN2CCN(c3c(Cl)cccc3OC)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37545606,False
11870,COc1ccc(OC)c(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56399155,False
11871,COc1ccccc1C(=O)NCC=CCN1CCN(CCc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3886186,False
11872,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(F)cc3)cn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42221823,False
11873,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(-c3ccco3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36525553,False
11874,COc1ccccc1N1CCN(CC=CCNC(=O)Cc2ccc(C)c(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6669454,False
11875,Cc1cc(Cl)cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8208721,False
11876,Cc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)[nH]c1-c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32791004,False
11877,Cc1ccc(ON2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2134931,False
11878,O=C1N(CC2Cc3ccccc3N2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.60182357,False
11879,O=C1N(CCN2CC3CCC(CC3)C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.7076015,False
11880,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.7150211,False
11881,CC(C)Oc1cccc(N2CCN(C3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.33368427,False
11882,CC(CO)N1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7967078,False
11883,CCCCN(c1cccc(F)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.479952,False
11884,CCCN(COC)C1COc2c(cccc2C2CCC(=O)CC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6085043,False
11885,CCCN(Cc1coc(C)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5673212,False
11886,CCCc1cccc2c1OCC(N(CCC)c1ccc(N(C)C)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.60334444,False
11887,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93452364,False
11888,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c(O)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8037081,False
11889,COc1cccc(Cl)c1C(=O)NCC=CCN1CCN(c2cccc(-c3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37940478,False
11890,COc1cccc2cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)oc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36724922,False
11891,COc1ccccc1N1CCN(CC2CCCCC2)C1=O,[*]N1CCN([*])C1=O,0.34665385,False
11892,COc1ccccc1N1CCN(CC=CCNC(=O)[N+](=O)c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8498807,False
11893,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccco3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8456616,False
11894,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2C(N)=O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93692756,False
11895,Cc1c(CN2CCN(c3cccc(Cl)c3)C2=O)sc2ccccc12,[*]N1CCN([*])C1=O,0.41253373,False
11896,N#Cc1cc(N2CCN(CN3Cc4ccccc4C3)C2=O)ccc1Cl,[*]N1CCN([*])C1=O,0.5672889,False
11897,O=C(C=Cc1ccccc1)NC(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79415935,False
11898,O=C(NCC=CCN1CCN(c2cc(Br)ccc2-c2cccs2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54877657,False
11899,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)c1ccccc1C(F)(F)F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5009786,False
11900,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)c(Cl)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38233265,False
11901,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(NCc2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8327408,False
11902,O=C(NCC=CCN1CCN(c2cccc(OCF)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42474613,False
11903,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4203712,False
11904,O=C(NCC=CCN1CCN(c2ccccc2CCO)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8906248,False
11905,O=C1N(CC23CCCC2CNCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5747716,False
11906,O=C1N(CC2CCCCC2)CCN1c1cccc(F)c1F,[*]N1CCN([*])C1=O,0.3181454,False
11907,O=C1N(CCN2CC=Cc3ccsc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.847459,False
11908,O=C1N(CCN2CCCc3sccc3CC2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5765066,False
11909,O=C1N(CCN2CCc3ncccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.65867573,False
11910,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.86529297,False
11911,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc2ccccc2cc1Cl,[*]N1CCN([*])C1=O,0.8596358,False
11912,CC1(C)CCC(CN2CCN(c3ccc(Cl)c(F)c3)C2=O)NC1,[*]N1CCN([*])C1=O,0.46087405,False
11913,CCCCN(O)C1COc2c(Cc3ccco3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.34990123,False
11914,CCCN(CC(C)C)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5674317,False
11915,CCCc1cccc2c1OCC(N(CC)Cc1occc1C(=O)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.30871972,False
11916,CCN(Cc1cccc(Cl)c1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.45068642,False
11917,CCOc1c(Br)ccc(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.29129374,False
11918,CCOc1c(Cl)ccc(S)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22285713,False
11919,CN(C)c1cccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.86709017,False
11920,CN1CC2CCC(Cc3ccccc31)C(N1CCN(c3ccsc3)C1=O)C2,[*]N1CCN([*])C1=O,0.48468563,False
11921,CN1CCCCC1N1CCN(C2CCOC2)C1=O,[*]N1CCN([*])C1=O,0.25613603,False
11922,CNc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6870016,False
11923,COCC1CCCCN1CN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.28113717,False
11924,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9125138,False
11925,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2)cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9369013,False
11926,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1Oc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3728705,False
11927,COc1cccc(C)c1C(=O)NCC=CCN1CCN(c2ccc(F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34502777,False
11928,COc1ccccc1C(=O)NCC=CCN1CCN(c2csc(-c3ccccc3)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.326897,False
11929,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Cl)cc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92308587,False
11930,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3ccccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9760557,False
11931,COc1ccccc1N1CCN(c2cccc(CC(=O)N3CCc4ccccc43)c2)C1=O,[*]N1CCN([*])C1=O,0.1359905,False
11932,Cc1cccc(CNC(=O)N2CCN(c3cccc(Cl)c3)C2=O)n1,[*]N1CCN([*])C1=O,0.13386396,False
11933,Nc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4028217,False
11934,O=C(NCC=CCN1CCN(c2cc3cc(F)ccc3[nH]2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39428443,False
11935,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2occc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8972002,False
11936,O=C1N(CCN2CC3CCCC2Cc2ccccc2C3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5390601,False
11937,C=CN(CCC)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6602065,False
11938,CC1Cc2ccccc2N1C(=O)CN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.35965243,False
11939,CCCCN(CC)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5875543,False
11940,CCCCN(c1ccc(OC)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49886575,False
11941,CCCN(CCC)C1COc2c(cccc2C(=O)c2ccc(=O)oc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6254104,False
11942,CCOc1c(C)ccc(C)c1C(=O)NCC1CCCN1[SH](C)O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14305016,False
11943,CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1S(C)(=O)=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15499584,False
11944,CCOc1cccc(CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.473421,False
11945,COc1c(C(=O)NCCN2CCN(c3cccc(Oc4ccccc4)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8532574,False
11946,COc1c(CF)cccc1C(=O)NCC=CCN1CCN(c2csc3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.57175475,False
11947,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4F)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38504055,False
11948,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cc[nH]n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7983775,False
11949,Cc1c[nH]c(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35379604,False
11950,Cc1ccc(C(=O)NCC=CCN2CCN(c3ccc(CCF)cc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.25584733,False
11951,Cc1cccc(N2CCN(CC3CCCCN3C(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.42975757,False
11952,Cc1sccc1N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5036545,False
11953,Nc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7759851,False
11954,O=C(NCC=CCN1CCN(c2ccc(-c3ccnc4ccccc34)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4423161,False
11955,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2Cl)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5602907,False
11956,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccc(O)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8773218,False
11957,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc2cc[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90819925,False
11958,O=C1N(CCN2CCCC(c3ccccc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.9073145,False
11959,O=C1N(CCO)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.632872,False
11960,O=C1N(CN2CCc3ccccc3C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.57093376,False
11961,O=C1N(Cc2cccc(Cl)c2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.39211118,False
11962,O=C1N(c2cc(F)cc(Cl)c2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.3156241,False
11963,C=CCN1CCCC1CNC(=O)c1c(OC)ccc(Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6429154,False
11964,CC(C)OC1CCCCc2ccc(N3CCN(c4cccc(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.44501442,False
11965,CCCCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(cccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5929282,False
11966,CCCCN(OC)C1COc2c(CC3CCCC3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45917687,False
11967,CCCN(CS(=O)(=O)C(F)(F)F)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62841743,False
11968,CNCc1c(Cl)cccc1N1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.23655592,False
11969,COCC1C2CCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1CC2,[*]N1CCN([*])C1=O,0.7736842,False
11970,COc1c(C(=O)NCCN2CCN(c3ccc4c(c3)OCCO4)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.72240114,False
11971,COc1ccc2[nH]cc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4OCCF)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.584374,False
11972,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(CCF)ccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5642543,False
11973,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(C)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9407958,True
11974,COc1ccoc1C(=O)NCC=CCN1CCN(c2cc(Cl)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3915677,False
11975,Cc1ccc(CN(C)CCN2CCN(c3cccc(F)c3)C2=O)s1,[*]N1CCN([*])C1=O,0.5060118,False
11976,Cc1ccc(N2CCN(CCN3CC4CCCC3Cc3ccccc3C4)C2=O)cc1,[*]N1CCN([*])C1=O,0.43637052,False
11977,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46758947,False
11978,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc2ccc(OCCF)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7704259,False
11979,O=C(NCC=CCN1CCN(c2cnccc2-c2ccccc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5241822,False
11980,O=C(NCCN1CCN(c2cccc(Cl)c2)C1=O)c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.3520536,False
11981,O=C1N(CC2CCCCCCN2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.45721203,False
11982,O=C1N(CC2CCCCN2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.44527444,False
11983,O=C1N(CCCF)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.5049861,False
11984,O=C1N(CCN2CCCc3sccc3C2)CCN1c1cc(Cl)cs1,[*]N1CCN([*])C1=O,0.5508087,False
11985,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(CF)c1,[*]N1CCN([*])C1=O,0.7609479,False
11986,O=C1N(CCNCc2ccc3sccc3c2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.19317098,False
11987,O=C1N(CNCC2CCCCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.545334,False
11988,CC1CN(C(=O)CN2CCN(c3ccc(Cl)cc3)C2=O)c2ccccc21,[*]N1CCN([*])C1=O,0.24326703,False
11989,CCCN(Cc1cc(C(F)(F)F)co1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5852977,False
11990,CCCc1cccc2c1OCC(N(N)CCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.71805775,False
11991,CCN1CCCCC(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.50321555,False
11992,CCc1ccc(CC)c(C(=O)NCC2CCCN2C)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2244981,False
11993,CNC(=O)Cn1c(CN2CCN(c3cccc(Cl)c3)C2=O)cc2ccccc21,[*]N1CCN([*])C1=O,0.13292962,False
11994,COCC1C2CCC1CN(CN1CCN(Cc3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.47159722,False
11995,COCC1Cc2ccccc2CN1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.57150614,False
11996,COCc1ccc2c(c1)CN(CN1CCN(c3ccccc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.51994073,False
11997,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccnc2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3922712,False
11998,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C(F)(F)F)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.45650625,False
11999,COOc1c(C(C)N)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1497926,False
12000,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccc3c2-c2ccccc2C3=O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7214736,False
12001,COc1cc(Br)cc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9785494,False
12002,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.427382,False
12003,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67842084,False
12004,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92284036,False
12005,COc1cccc(C(=O)c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.44019473,False
12006,O=C(C=CCNC(=O)c1ccc(O)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81671923,False
12007,O=C(NCC=CCN1CCN(c2[nH]c3ccccc3c2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41449392,False
12008,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1cc(Br)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49523836,False
12009,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccncn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9238819,False
12010,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1cc2ccccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47631532,False
12011,O=C1N(CC2CCCCN2Cc2cc3ccccc3s2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.31742683,False
12012,O=C1N(CCN2CCCN(CC(F)(F)F)CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.7697488,False
12013,O=C1N(CN2CCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7567518,False
12014,C=CCc1ccc(OC)c(C(=O)NCC2CCCN2SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2668248,False
12015,CCCN(C(C)CC)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53209245,False
12016,CCCc1cccc2c1OCC(N(CC)c1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6304132,False
12017,CCN1CCCC1CNC(=O)c1c(Cl)ccc(Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8838997,False
12018,CCN1CCCC1CNC(=O)c1c(OC)ccc(CCCCCl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.80667377,False
12019,CCc1ccc(C)c(C(=O)NCC2CCCN2CS)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.47626156,False
12020,COc1c(OCCF)cccc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8263217,False
12021,COc1cc(C)ccc1-c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3718244,False
12022,COc1cccc(-c2cccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43781435,False
12023,COc1cccc(F)c1C(=O)NCC=CCN1CCN(c2cc(Br)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4797778,False
12024,COc1ccccc1-c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.44275823,False
12025,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2-c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8721827,False
12026,Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89115083,False
12027,N#Cc1cccc(N2CCN(CCN3CC4CCCC(CC4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7497584,False
12028,O=C(NCC=CCN1CCN(c2c[nH]c(-c3c[nH]c(O)c3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35197124,False
12029,O=C(NCC=CCN1CCN(c2ccc(-c3ccncc3)cc2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48373467,False
12030,O=C(NCC=CCN1CCN(c2cccc3c2-c2ccccc2C3)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6151072,False
12031,O=C1N(CC2CCCCN2)CCN1c1cccc2ccsc12,[*]N1CCN([*])C1=O,0.42894077,False
12032,O=C1N(CC2CCCCc3ccccc32)CCN1c1cccc(O)c1,[*]N1CCN([*])C1=O,0.55187297,False
12033,O=C1N(CCN2CC3CCCC(CC3)C2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.705669,False
12034,O=C1N(CCN2CC3CCCc4ccccc4CC2CC3)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.65303475,False
12035,O=C1N(CCN2CCCCCC2)CCN1Cc1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.5686944,False
12036,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.6900123,False
12037,O=C1N(CCN2CCc3ccccc32)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.36357418,False
12038,O=C1N(CCN2Cc3ccccc3C2)CCN1CC(O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.68576777,False
12039,O=C1N(CCOc2cccc(CF)c2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.4439935,False
12040,O=C1N(Cc2cccc3c2CCOC3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.37296838,False
12041,CC1(C)Cc2ccccc2CC2CCC(C1)N2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7510287,False
12042,CCCN(CCC)C1COc2c(cccc2C(=O)O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6732695,False
12043,CCCc1cccc2c1OCC(N(C)CCc1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.69272596,False
12044,CCN(Cc1nc(C)cs1)N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.1646653,False
12045,CCc1ccc(Br)c(OC(C)CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18565786,False
12046,CCc1ccc(C)c(C(=O)NCC2CCCN2Cl)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16656335,False
12047,CN1C2CCC(CN3CCN(c4cccc(Cl)c4)C3=O)CC1CC2,[*]N1CCN([*])C1=O,0.71861386,False
12048,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C(=O)[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.43713093,False
12049,COc1cc(OC)cc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3962867,False
12050,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(Oc4ccccc4C)cc3)CC2)c1CF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28393498,False
12051,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(CCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4445317,False
12052,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9119548,False
12053,Cc1ccc(O)c(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4736499,False
12054,Cc1cccc(CN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.33321053,False
12055,Cc1cccc(S(=O)(=O)NCCN2CCN(CC3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.29781643,False
12056,O=C(NCC=CCN1CCN(C2CCc3ccc(O)cc3C2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49413362,False
12057,O=C(NCC=CCN1CCN(c2c[nH]cc2OCCF)CC1)c1ccccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.41815495,False
12058,O=C(NCC=CCN1CCN(c2cc3ccc(O)cc3cn2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42562622,False
12059,O=C(NCC=CCN1CCN(c2cccc(-c3c[nH]c(O)n3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5145041,False
12060,O=C(NCCN1CCN(F)CC1)c1cc(Br)c2ccccc2c1-c1cccc([N+](=O)[O-])c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.2866491,False
12061,O=C1N(CC2CCCCN2Cc2ccc(Cl)cc2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.3230258,False
12062,O=C1N(CN2CCCC(Cc3cccc(F)c3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.49922404,False
12063,C#CC(C)N1CCc2ccc(N3CCN(Cc4cccc(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.38236883,False
12064,CC(C)C(C)N1CCN(CCN2CCN(c3ccccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.713474,False
12065,CC12CCCC(CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.80824924,False
12066,CCCCN(CC)C1COc2c(cccc2Oc2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5758367,False
12067,CCCCN([O-])C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5065184,False
12068,CCCN(CCC)C1COc2c(cccc2-c2ccc(C(=O)O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.61159533,False
12069,CCOc1c(C)ccc(N)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1389148,False
12070,CN1CCC(N2CCN(c3cccc(Cl)c3)C2=O)CC1(C)C,[*]N1CCN([*])C1=O,0.4856218,False
12071,COCCN1CCN(c2cccc(OC)c2)C1=O,[*]N1CCN([*])C1=O,0.6360961,False
12072,COc1cc(C)cc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.36077532,False
12073,COc1ccc2[nH]cc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6233516,False
12074,COc1ccc2oc(C(=O)NCC=CCN3CCN(c4cccc(OCCF)c4)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32573137,False
12075,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccc(Br)cc3)n[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4865278,False
12076,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Cl)cn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.473114,False
12077,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3c(Cl)cc2C=CC=C3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7672771,False
12078,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(CF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9110963,False
12079,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8330695,False
12080,Cc1ccccc1N1CCN(CC=CCNC(=O)c2ccsc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.629049,False
12081,O=C1N(CC2CCCCN2Cc2ccccc2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.41407368,False
12082,O=C1N(CC2CNCOC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.5125168,False
12083,O=C1N(CCCN2CCCCCC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.64909786,False
12084,O=C1N(CCN2CC3CCC(CC3)C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.7985585,False
12085,O=C1N(CCN2CC3CCC2CCc2ccccc2C3)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.4310697,False
12086,O=C1N(CCn2ccc3ccccc32)CCN1c1ccc(N2CCOC2)cc1,[*]N1CCN([*])C1=O,0.30345884,False
12087,O=C1N(Cc2cccc(Cl)c2)CCN1C1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.40947542,False
12088,CCCCN(C(=O)c1ccncc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.27065125,False
12089,CCCCN(CCC)C1COc2c(C=Cc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62623006,False
12090,CCCCOc1c(O)ccc(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.79738617,False
12091,CCCc1cccc2c1OCC(N(CC)Cc1cc(C(F)(F)F)co1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.586495,False
12092,CCCc1cccc2c1OCC(N(CO)CCCN1C(=O)CC3(CCCCC3)CC1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5008989,False
12093,CCOc1c(CCCS)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5951181,False
12094,CCc1ccc(Cl)c(C(=O)NCC2CCCN2OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27034643,False
12095,CN(C)CC12CCC(CC(N3CCN(c4ccccc4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.44645262,False
12096,CN1CCCCCC1N1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.32624573,False
12097,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(CO)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38911396,False
12098,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38052043,False
12099,COc1cccc(N2CCN(CCOc3ccc4sccc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.4751388,False
12100,COc1ccccc1C(=O)NCC=CCN1CCN(c2cnc3ccc(Cl)cc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4204705,False
12101,Cc1cccc(N2CCN(Cc3cc4ccccc4s3)C2=O)c1,[*]N1CCN([*])C1=O,0.33632475,False
12102,O=C(NCC=CCN1CCN(c2ccc(O)c(O)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5091712,False
12103,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccc(F)cc2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91160643,False
12104,O=C1N(CC2CCCC3CCC(C3)N2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7342114,False
12105,O=C1N(CCCc2ccccc2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.51751417,False
12106,O=C1N(CCN2CC3Cc4ccccc4CC2CC(O)C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6978812,False
12107,O=C1N(CCN2c3ccccc3CC3CCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.72473365,False
12108,O=C1N(CNCc2ccc3ccccc3c2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.23948808,False
12109,O=C1N(c2cccc(Cl)c2)CCN1C1CC2CCCC(C1)N2Cc1ccccc1,[*]N1CCN([*])C1=O,0.4882649,False
12110,O=C1N(c2cccc(Cl)c2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.34555992,False
12111,O=C1N(c2cccc(Cl)c2)CCN1c1ccc2c(c1)CCCCCC2,[*]N1CCN([*])C1=O,0.33848798,False
12112,O=C1N(c2ccccc2)CCN1C1CCCc2ccsc2C1,[*]N1CCN([*])C1=O,0.35938743,False
12113,CC1CC2NCCCC2(CN2CCN(Cc3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.33343035,False
12114,CCCCN1CCCC1CNC(=O)c1c(O)ccc(C)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.3029714,False
12115,CCCN(Cc1ccco1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4330398,False
12116,CCCc1cccc2c1OCC(N(CCC)c1cc(C(C)=O)cs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4311223,False
12117,CCN(CC)CN1CCCC1CNC(=O)c1c(OC)ccc(SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5829576,False
12118,CCN1CCCC1CNC(=O)c1c(C)ccc(C)c1OSC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6956391,False
12119,CCOc1c(C)ccc(C)c1C(=O)NCC1CCCN1OS(C)(=O)=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16275665,False
12120,CCc1ccc([SH](C)O)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8810791,False
12121,CN(CCN1CCN(c2ccc(C(C)(C)C)cc2)C1=O)Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6341813,False
12122,COc1ccc(CC(N)=O)c(C(=O)NCC2CCCN2C)c1OSC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22615139,False
12123,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccnc([N+](=O)[O-])c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34017476,False
12124,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(Cl)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97707444,False
12125,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3)c(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87395734,False
12126,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9761912,False
12127,COc1ccccc1N1CCN(CN2CCCC(COc3ccccc3)C2)C1=O,[*]N1CCN([*])C1=O,0.41285986,False
12128,Cc1c(O)cccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3)s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3358406,False
12129,Cc1cccc(CNCN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.24162674,False
12130,Cc1ccccc1-c1ncc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8140703,False
12131,N#Cc1cc(N2CCN(C3CCNCC3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.34385088,False
12132,O=C(NCC=CCN1CCN(c2ccc(-c3nc(O)c[nH]3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5047911,False
12133,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(Br)cc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8717829,False
12134,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(Br)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8638331,False
12135,O=C1N(CCN2CCC(CF)CC2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.8098691,False
12136,O=C1N(CCN2CCCc3sccc3C2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.57716584,False
12137,O=C1N(CCOC2CCCCC2)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.7742263,False
12138,O=C1N(CCc2cccc(Cl)c2)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.39133692,False
12139,CC(C)N1CCN(CCN2Cc3ccccc3C2c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.5981158,False
12140,CC1(C)Cc2ccccc2CN1CCN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.47896698,False
12141,CC12CCC(Cc3ccccc3C1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.7558591,False
12142,CCCN(COc1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6121127,False
12143,CCOc1c(O)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24603613,False
12144,CCc1ccc(C)c(C(=O)NCC2CCCN2Br)c1OSC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.12710835,False
12145,CCc1ccccc1N1CCN(C(C)C)C1=O,[*]N1CCN([*])C1=O,0.26716706,False
12146,CN(CCN1CCN(c2ccncc2)C1=O)CC12CCC(CC1)CC2,[*]N1CCN([*])C1=O,0.6293789,False
12147,COc1ccc2c(c1)CC(C(=O)NCC=CCN1CCN(c3cccc(Cl)c3Cl)CC1)=CN2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7925556,False
12148,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccc(OCCF)o4)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2832854,False
12149,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(-c4ccc(O)cc4)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46893594,False
12150,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3ccc(Cl)cc3s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40358382,False
12151,COc1ccccc1N1CCN(CC=CCNC(=O)c2nc3ccccc3s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.820087,False
12152,Cc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6336641,False
12153,Cc1cccc(N2CCN(CCN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.9150842,True
12154,N#Cc1cc(Cl)cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.74044806,False
12155,N#Cc1cccc(N2CCN(CCN3CCc4ccc(F)cc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7785193,False
12156,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.10883598,False
12157,O=C(CN1CCN(c2ccccn2)C1=O)NCc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.080870055,False
12158,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cncc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9603091,False
12159,O=C1N(CC(F)(F)c2cccs2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.39680818,False
12160,O=C1N(CC2CCC(Nc3ccsc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.45188677,False
12161,O=C1N(CCN2CC3CCC(C3)C2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.63691473,False
12162,O=C1N(CCN2CC3CCCC2Cc2ccccc2C3)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.45280293,False
12163,O=C1N(Cc2cc3ccccc3s2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.47676766,False
12164,O=C1c2ccccc2CN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7546428,False
12165,C=C(C)CN(C#Cc1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.28973916,False
12166,CC(C)C1CCCCN1CCN1CCN(c2ccc3ccccc3c2)C1=O,[*]N1CCN([*])C1=O,0.51725334,False
12167,CC(C)Oc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86166555,False
12168,CCCCc1ccc(C)c(C(=O)NCC2CCCN2C)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15707423,False
12169,CCCN(CC(C)=O)C1COc2c(cccc2C(O)c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45896822,False
12170,CCN(C(C)C)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45660764,False
12171,CCN(c1ccccc1)c1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7708353,False
12172,CN1CCC(CN2CCN(c3cccc(Cl)c3)C2=O)Cc2ccsc21,[*]N1CCN([*])C1=O,0.61809754,False
12173,CNC(C)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.45785075,False
12174,COCC1CCCN1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.599226,True
12175,COc1c(C(=O)NCCN2CCN(c3ccc(C)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7462213,True
12176,COc1ccc(-c2cccc(C(=O)NCC=CCN3CCN(c4ccccn4)CC3)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4327089,False
12177,COc1cccc(-c2cccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38819045,False
12178,COc1cccc(CN2CCN(CC3CCCCN(Cc4cccc(Cl)c4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.34885842,False
12179,COc1cccc2cc(O)c(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.61557,False
12180,Cc1[nH]c(-c2ccccc2)cc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8383436,False
12181,O=C(NCC=CCN1CCN(c2cc(-c3ccc(Cl)cc3)on2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4585672,False
12182,O=C(NCC=CCN1CCN(c2ccc([N+](=O)c3ccccc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43733978,False
12183,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C(=O)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83198845,False
12184,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(O)o2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87097865,False
12185,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8004486,False
12186,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccc(O)o2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84661794,False
12187,O=C1N(CC2CCCNC2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.43672282,False
12188,O=C1N(CCc2ccccc2Cl)CCN1C1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.54150695,False
12189,O=C1N(CN2CCNCC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.4032554,False
12190,O=C1N(Cc2ccc(Cl)cc2)CCN1CC1CCCc2ccccc21,[*]N1CCN([*])C1=O,0.58375883,False
12191,CC1(C)CC2(CCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C2)CO1,[*]N1CCN([*])C1=O,0.74309844,False
12192,CC1C2C(CCN1CCN1CCN(c3cccc(Cl)c3)C1=O)CC2(C)C,[*]N1CCN([*])C1=O,0.6329056,False
12193,CCCCN(CCC)C1COc2c(cccc2-c2cc(C(=O)O)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5424657,False
12194,CCCN(CC(O)c1ccsc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5569857,False
12195,CCCN(CCC)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8366416,False
12196,CCCN(COC(=O)c1ccoc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.35594732,False
12197,CCCc1cccc2c1OCC(N(Cc1ccc(OC)cc1)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.31989443,False
12198,CCOCN1CCN(c2ccc(CN3Cc4ccccc4C3)s2)C1=O,[*]N1CCN([*])C1=O,0.44567573,False
12199,CN(C)Cc1cccc(N2CCN(c3cccc4c3N(C)CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.4803484,False
12200,CN(CCN1CCN(c2cccc(F)c2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.80657685,False
12201,COc1ccc(C)c(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46415532,False
12202,COc1cccc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34833133,False
12203,COc1cccc(Cl)c1N1CCN(CC=CCNC(=O)c2ccc(-c3ncccc3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31887898,False
12204,COc1ccccc1N1CCN(CC=CCNC(=O)NC(=O)c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91023535,False
12205,Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1F,[*]N1CCN([*])C1=O,0.87809485,False
12206,Cc1cccc(N2CCN(C3CCCOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.16192088,False
12207,N#Cc1cccc(CN2CCCCC2CN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.3617013,False
12208,O=C(NCC=CCN1CCN(CCNc2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3701058,False
12209,O=C(NCC=CCN1CCN(c2cccc(F)n2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47470123,False
12210,O=C(NCC=CCN1CCN(c2cccnc2-c2ccccc2Br)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68446696,False
12211,O=C(NCc1cccnc1)N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.1530751,False
12212,O=C1N(CCN2CCCC(c3ccccc3)C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.7792022,False
12213,O=C1N(CCN2CCCNCC2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.55815923,False
12214,O=C1N(CNCC2C3CCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.48745897,False
12215,O=C1N(c2cccc3ccsc23)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.24839108,False
12216,CC(c1ccccc1)N1CCN(CC2CCCCC2)C1=O,[*]N1CCN([*])C1=O,0.30374423,False
12217,CC1Cc2ccccc2N1C(=O)CN1CCN(c2ccccc2F)C1=O,[*]N1CCN([*])C1=O,0.32266253,False
12218,CCCN(CCC)C1COc2c(cccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.36100364,False
12219,CCCN1CCCC1CNC(=O)c1c(C)ccc(Br)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.3772589,False
12220,CCN(CC(C)C)C1COc2c(cccc2-c2ccn(C)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5338094,False
12221,CCN(CC)c1ccc(SC)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.73647153,False
12222,CCOc1c(Cl)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21902461,False
12223,CNCc1cccc(CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.4010722,False
12224,CNc1ccc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33124214,False
12225,COc1cc(C(=O)N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)ccc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.15649255,False
12226,COc1ccc2[nH]cc(C(N)N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.26795796,False
12227,COc1cccc(N2CCN(CC(=O)NCc3cccc(C(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.125143,False
12228,COc1cccc(N2CCN(CC=CCNC(=O)c3ccc(-c4cccc(Cl)c4)cc3)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65547514,False
12229,COc1ccccc1-c1cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39483786,False
12230,Cc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3N)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7305875,False
12231,Cc1cccc(N2CCN(c3sccc3-c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.26021138,False
12232,O=C(NCC=CCN1CCN(c2ccc(-c3cccnc3)cc2)CC1)c1c(Cl)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5287967,False
12233,O=C(NCC=CCN1CCN(c2ccc3ccc(O)c-3[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3962518,False
12234,O=C1N(CC2CC3CCC(C2)N3Cc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.67312735,False
12235,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.8421132,False
12236,O=C1N(CCN2CCC3Cc4ccccc4CC3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.51783246,False
12237,O=C1N(CCN2Cc3ccccc3C2)CCN1c1nccc2ccccc12,[*]N1CCN([*])C1=O,0.77385163,False
12238,O=C1N(CCNCc2cc3ccccc3s2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.3337702,False
12239,C#CC1CCCC(N2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.31819278,False
12240,CC(C)Oc1cccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7064203,False
12241,CCCN(O)C1COc2c(Cc3ccc(C(C)(C)C)cc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.55312383,False
12242,CCCc1cccc2c1OCC(N(Cc1ccc(OC)cc1)C(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5493112,False
12243,CCN1CCCC1CNC(=O)c1c(CCCF)ccc(C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7331466,False
12244,CCc1ccc(OC)c(OS(N)(=O)=O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24167928,False
12245,CN1CCC(CN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.46234855,False
12246,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4F)CC3)cn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5998778,False
12247,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3c(c2)c(=O)[nH]c2ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3545714,False
12248,Cc1cc(N2CCN(CCN3CCCCCC3)C2=O)cs1,[*]N1CCN([*])C1=O,0.7932301,False
12249,Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cn1,[*]N1CCN([*])C1=O,0.90381193,True
12250,Cc1cccc(N2CCN(N(CC34CCCC(CC3)C4(C)C)C(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.24868175,False
12251,O=C(NCC=CCN1CCN(Cc2c[nH]c(-c3ccc(F)cc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31131542,False
12252,O=C(NCC=CCN1CCN(c2cc(-c3ccc[nH]3)cc(O)n2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38464135,False
12253,O=C(NCC=CCN1CCN(c2ccc3cc(O)ccc3n2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40446028,False
12254,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccsn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89855725,False
12255,O=C(NCC=CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7355031,False
12256,O=C(NCCN1CCN(c2cccc(Cl)c2)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.34542397,False
12257,O=C1N(CC2CCC3CNCC3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6240436,False
12258,O=C1N(CC2CCCc3occc3C2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.426739,False
12259,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.7108086,False
12260,O=C1N(CCN2CCc3ccsc3C2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.71493983,False
12261,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(Cl)c(Cc2ccccc2)c1,[*]N1CCN([*])C1=O,0.86530524,False
12262,O=C1N(c2cccnc2)CCN1C1CCC(NCc2cccc(Cl)c2)CC1,[*]N1CCN([*])C1=O,0.2732065,False
12263,CC(C)c1cccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.72834057,False
12264,CC(C)c1cccc2c1OCC(N(CO)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.44820997,False
12265,CC(CN1CCN(c2ccc(Cl)cc2)C1=O)N1CCCCCC1,[*]N1CCN([*])C1=O,0.22241537,False
12266,CCCN(C(C)C)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.61931866,False
12267,CCCc1cccc2c1OCC(N(CC)CC(=O)c1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3390813,False
12268,CCN(COC)C1COc2c(CC(C)C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5524524,False
12269,CCOc1c(CCF)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25788954,False
12270,CCc1cccc2c1OCC(N(Cc1ccccc1)Cc1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.47381032,False
12271,CN1CCCCC(CN2CCN(c3cccc(F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.47509092,False
12272,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2[N+][O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.40774426,False
12273,COc1c(C(=O)NCCN2CCN(c3ccc([N+](F)(F)F)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8115573,False
12274,COc1cccc(CCN2CCCC(N3CCN(c4ccccc4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.754212,False
12275,COc1cccc(N2CCN(CC=CCNC(=O)c3ccc(Cl)cc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45875692,False
12276,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(F)c(O)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42479372,False
12277,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccc(Cl)cc3)c[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89562875,False
12278,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80277544,False
12279,O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7109477,False
12280,O=C(NCC=CCN1CCN(c2c[nH]c(-c3ccc(Br)cc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3986962,False
12281,O=C(NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2)CC1)c1sccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37992883,False
12282,O=C(NCC=CCN1CCN(c2ccc3ccc(O)cc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5041972,False
12283,O=C(NCC=CCN1CCN(c2ccc3ccncc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49012557,False
12284,O=C(NCC=CCN1CCN(c2ccc3occc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45217103,False
12285,O=C(NCC=CCN1CCN(c2cccc([N+](=O)[O-])n2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41313624,False
12286,O=C(NCC=CCN1CCN(c2ccncc2-c2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6380637,False
12287,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.96751755,True
12288,C=CCN(C(=O)c1ccccc1)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.22713697,False
12289,CC(CN1CCN(C(C)C)C1=O)c1ccccc1,[*]N1CCN([*])C1=O,0.19994226,False
12290,CC1CN(CCN2CCN(c3ccc(Cl)cc3)C2=O)C2CCC1CC2,[*]N1CCN([*])C1=O,0.50224745,False
12291,CCCN(CC(C)(O)c1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5864922,False
12292,CCN(CC(C)C)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3534498,False
12293,CCN1CCCCCC1N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.27987868,False
12294,CCOc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38680276,False
12295,CCc1ccc(CCCCl)c(OO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25829178,False
12296,CCc1cccc2c1OCC(N(CC(C)=O)c1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.28528595,False
12297,CCc1cccc2c1OCC(N(CC(C)C)c1ccc(C(C)=O)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.2322663,False
12298,CN1CCCC(CN2CCN(c3ccc(F)c(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.48927864,False
12299,COCC1CCCN1c1cccc(N2CCN(C)C2=O)c1,[*]N1CCN([*])C1=O,0.47218966,False
12300,COc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96158236,False
12301,COc1cccc(N2CCN(CCN3CC4CCCC3Cc3ccccc3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.6234018,False
12302,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(O)c(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4572894,False
12303,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3c(c2)CCCc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43127778,False
12304,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc([N+](=O)[O-])ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86268497,False
12305,N#Cc1cccc(C2CCN(CCN3CCN(CC(F)(F)F)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.8795688,False
12306,O=C(NCC=CCN1CCN(c2c[nH]cc2OCCF)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6258753,False
12307,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(O)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9604338,False
12308,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccc2ccccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47480896,False
12309,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ncc[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.935605,False
12310,O=C1N(CCCC2CCC3CCCN3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.69893,False
12311,O=C1N(CCN2CCc3ccc(Cl)cc32)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.39612573,False
12312,O=C1N(Cc2ccc3sccc3c2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.25805718,False
12313,O=C1N(Cc2sc3cccccc2-3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.41172388,False
12314,CC(Cc1cccc(N2CCN(c3ccccc3F)C2=O)c1)N1CCCCC1,[*]N1CCN([*])C1=O,0.22373849,False
12315,CC1(C)C2CCCC1CN(CCN1CCN(c3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.6761731,False
12316,CC1CCCCN1CCN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.40694582,False
12317,CC1Cc2ccccc2N1C(=O)N1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.24460116,False
12318,CCCCN(C1CCCCC1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.44924325,False
12319,CCCN(C(C)C)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5437609,False
12320,CN(CN1CCN(c2csc3ccccc23)C1=O)CC12CCCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.46797284,False
12321,CN1CCC2(CN3CCN(c4cccc(CF)c4)C3=O)CCC1C2(C)C,[*]N1CCN([*])C1=O,0.44735464,False
12322,COc1c(C(=O)NCCN2CCN([N+](=O)c3ccccc3Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.46617135,False
12323,COc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1-c1cccs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79252505,False
12324,COc1cc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86491,False
12325,COc1ccc(OCCF)c(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9768503,False
12326,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4019327,False
12327,COc1cccc(N2CCN(C3NCC4CCC3Cc3ccccc3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.42499045,False
12328,CSc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2N)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6824846,False
12329,Cc1ccc(CN2CCN(C)C2=O)cc1,[*]N1CCN([*])C1=O,0.26992413,False
12330,Cc1ccc(CN2CCN(c3ccccc3Cl)C2=O)cc1C,[*]N1CCN([*])C1=O,0.20028597,False
12331,N#Cc1cc(N2CCN(Cc3cccc(C(F)(F)F)c3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.40902376,False
12332,N#Cc1cccc(N2CCN(CCN3CC4CCC3Cc3ccccc3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.6780965,False
12333,O=C(NCC=CCN1CCN(c2ccc3cc(O)ccc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43636027,False
12334,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1cc2ccccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53423935,False
12335,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9206005,False
12336,O=C1N(CCN2CCCCC2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5859856,False
12337,O=C1N(CCN2CCc3ccsc3C2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.68798274,False
12338,O=Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8319507,False
12339,C=CCN(CCC)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.72170246,False
12340,CCCCN(CC)C1COc2c(cccc2-c2cnco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46222246,False
12341,CCN(C)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.51396126,False
12342,CCN1CCCC1CNC(=O)c1c(C)ccc(O)c1O[O-],[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.66864944,False
12343,CCOc1c(Br)ccc(S(=O)(=O)OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19634075,False
12344,CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1CCCF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.30429548,False
12345,COc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9360875,False
12346,COc1ccc2cc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)sc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3630723,False
12347,COc1cccc(N2CCN(CN3CCN(C(C)C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.44163704,False
12348,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3ccc(O)cc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3739413,False
12349,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(CF)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90747815,False
12350,CS(=O)(=O)Oc1c(C(=O)NCCN2CCN(c3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.82799166,False
12351,Cc1ccc(N2CCN(CC3CCNCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.3801498,False
12352,Cc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Cl)cc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64604664,False
12353,Nc1ccccc1C(=O)NCC=CCN1CCN(c2[nH]ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43300295,False
12354,O=C(NCC=CCN1CCN(C2=CNC3=CC=CC=C2c2ccccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4162134,False
12355,O=C(NCC=CCN1CCN(Oc2ccc(-c3ccccc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.29625872,False
12356,O=C(NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2)CC1)c1ccccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.40835983,False
12357,O=C(NCC=CCN1CCN(c2ccc3nc(O)[nH]c3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39389437,False
12358,O=C(NCC=CCN1CCN(c2cccc(-c3ccncc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49023795,False
12359,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccc(OCCF)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90990746,False
12360,O=C(NCC=CCN1CCN(c2sccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38308072,False
12361,O=C1N(CCN2CCCCC2c2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.66542184,False
12362,O=C1N(c2cc(Cl)ccc2Cl)CCN1C1CC2CC(CCC1c1ccccc1)C2,[*]N1CCN([*])C1=O,0.33608675,False
12363,CC(C)c1cccc(N2CCN(CC3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.5696789,False
12364,CC1(C)Cc2ccccc2N1CCN1CCN(c2ccc(F)c(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.53549945,False
12365,CCCCN(CC)C1COc2c(cccc2C2(S(=O)(=O)c3ccccc3)CCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42771453,False
12366,CCCCN(CC1CCCC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57726264,False
12367,CCCCN1CCCC1CNC(=O)c1c(OC)ccc(C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.43488845,False
12368,CCCN(CC(C)=O)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52467644,False
12369,CCc1ccc(O)c(OF)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23682754,False
12370,CN(C)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9351314,False
12371,CN(C)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(F)c3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7111967,False
12372,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(Oc3ccccc3)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.40175188,False
12373,COc1cc2ccccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c-2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.699954,False
12374,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40527463,False
12375,COc1ccc(-c2ccccc2)cc1C(=O)NCC=CCN1CCN(c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9494715,False
12376,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3)CC2)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4324017,False
12377,COc1ccc(CCF)cc1C(=O)NCC=CCN1CCN(c2ccc(Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45291623,False
12378,COc1ccccc1CN1CCN(CC=CCNC(=O)c2c[nH]c3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30310467,False
12379,COc1ccccc1N1CCN(CC=CCNC(=O)NCCc2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8569691,False
12380,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(F)cc(F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96290135,False
12381,Cc1cc(CN2CCN(c3ccc(Cl)cc3)C2=O)on1,[*]N1CCN([*])C1=O,0.18659349,False
12382,Cc1cc2c(NCN3CCN(C4COOC4)C3=O)cccc2s1,[*]N1CCN([*])C1=O,0.1568814,False
12383,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(-c2ccc(F)cc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4317999,False
12384,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2)c(CF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9058179,False
12385,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Cl)c(Br)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9620951,False
12386,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccn2nccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79579693,False
12387,O=C1N(CC2CCc3ccccc3N2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.4364106,False
12388,O=C1N(CCNCc2cccc(Cl)c2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.24611254,False
12389,CC(C)C1CCCC(CN2CCN(c3cccc(C(F)(F)F)c3)C2=O)N1,[*]N1CCN([*])C1=O,0.44651926,False
12390,CC(C)N1CCN(Cc2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.27860972,False
12391,CC1(C)CCN(CCN2CCN(C3CCCOC3)C2=O)CC1,[*]N1CCN([*])C1=O,0.4690605,False
12392,CCCCN(CC)C1COc2c(cccc2-c2ccn(C)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52692264,False
12393,CCCN(C(=O)O[O-])C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3053348,False
12394,CCCN(CCC)C1COc2c(CNC(=O)c3ccc(C(F)(F)F)cc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5011737,False
12395,CCNCN1CCCC1CNC(=O)c1c(C)ccc(O)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.41325864,False
12396,CCOc1c(Cl)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19035006,False
12397,CN(C)Cc1cccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.87273055,False
12398,CN(C)c1ccc(N2CCN(CC=CCNC(=O)c3cccc(OCCF)c3O)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4096368,False
12399,CN1c2ccccc2CC2CCC(N3CCN(c4cccc(Cl)c4)C3=O)C1CC2,[*]N1CCN([*])C1=O,0.55095655,False
12400,COc1ccc2cc(F)cc(N3CCN(CC=CCNC(=O)c4cccc(OCCF)c4)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.538381,False
12401,COc1cccc(-c2cc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)ccn2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40665618,False
12402,O=C(NCC=CCN1CCN(C2=CNC3=CC=CC=C2c2c(Cl)cccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38473067,False
12403,O=C(NCC=CCN1CCN(C2CCc3ccc(O)cc3C2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4792786,False
12404,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Cl)c(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46757567,False
12405,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1oc2ccccc2c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8715428,False
12406,O=C1N(CC(F)(F)F)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.30059853,False
12407,O=C1N(CC2CCCCCN2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.45024493,False
12408,O=C1N(CCN2CC3CCCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.83856964,False
12409,O=C1N(Cc2cccc(Cl)c2)CCN1c1ccc2c(c1)Cc1ccccc1S2,[*]N1CCN([*])C1=O,0.49515355,False
12410,O=C1N(c2ccc3c(c2)OCOC3)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.35792154,False
12411,O=C1N(c2ccccc2)CCN1c1ccc2c(c1)C(OC(F)(F)F)CC2,[*]N1CCN([*])C1=O,0.35945076,False
12412,CC1CC2CCC1Cc1ccccc1CC2N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.44665807,False
12413,CC1CCN(CCN2CCN(c3ccsc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7387312,False
12414,CCC(C)c1cccc2c1OCC(N(CC)CC(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5770163,False
12415,CCCN(CC1CC1)C1COc2c(cccc2-c2cccc(F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6617983,False
12416,CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2c(cccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71875954,False
12417,CCCN1CCCC1CNC(=O)c1c(C)ccc(SC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.37086603,False
12418,CCCSc1ccc(OC)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.85436326,False
12419,CCCc1cccc2c1OCC(N(CCC)C(C)(O)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5471797,False
12420,CCCc1cccc2c1OCC(N(CCC)c1cocc1OC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.62270796,False
12421,CCN1CCCC1CNC(=O)c1c(C)ccc(S(=O)(=O)O)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.677244,False
12422,CCN1CCCC1CNC(=O)c1c(Cl)ccc(S(C)(=O)=O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.78306544,False
12423,CN(CCc1cccc(Cl)c1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4956764,False
12424,CN1CCCc2ccc(CN3CCN(c4ccc5ccsc5c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.30966076,False
12425,COCC1C2CCCC1N(CCN1CCN(c3cccc(Cl)c3)C1=O)CCC2,[*]N1CCN([*])C1=O,0.76109266,False
12426,COc1c(C(=O)NCCN2CCN([N+](C)=O)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.44354048,False
12427,COc1cccc(N2CCN(CCN3CCc4cc(C)ccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6790687,False
12428,COc1cccc(OCCN2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7950605,False
12429,O=C(NCC=CCN1CCN(c2cc[nH]n2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47331843,False
12430,O=C(NCC=CCN1CCN(c2ccc(-c3cc[nH]c3O)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48547626,False
12431,O=C(NCC=CCN1CCN(c2cccc3c2CCc2ccccc2-3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64000833,False
12432,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(-c2ccc(F)cc2)cs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93786,False
12433,O=C1N(CCOc2cccc(Cl)c2)CCN1CC1CCCCN1,[*]N1CCN([*])C1=O,0.4706994,False
12434,O=C1N(CCc2cccc(Cl)c2)CCN1C1CCc2ccsc2CC1,[*]N1CCN([*])C1=O,0.5562968,False
12435,O=C1N(CN2CCC3CCC2Cc2ccccc2C3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.49460196,False
12436,CC1CCN(CCN2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.6891054,False
12437,CCCN(CC(C)C)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6654918,False
12438,CCCN(CCC)C1COc2c(cccc2C(=O)c2ccccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5667732,False
12439,CCN1CCCC1CNC(=O)c1c(OC)ccc([SH](C)[O-])c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.81959385,False
12440,CCOc1c(OC)ccc(Br)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27555043,False
12441,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)C1CC2CCC1(C)C(C)(C)C2,[*]N1CCN([*])C1=O,0.8039305,False
12442,COCC1Cc2ccccc2N1CCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.60144484,False
12443,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ncc[nH]3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68204117,False
12444,COc1cc(N(C)C)ccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.61645246,False
12445,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4c(Cl)cccc4OC)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3154675,False
12446,COc1cccc(CN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.31932715,False
12447,COc1cccc2c(N3CCN(CC=CCNC(=O)c4cccc(F)c4Cl)CC3)coc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5011067,False
12448,Cc1ccc(CN(C)CN2CCN(c3cccc(C(F)(F)F)c3)C2=O)s1,[*]N1CCN([*])C1=O,0.37739035,False
12449,Cc1cccc(N2CCN(CC3CCC4(CCCOC4)N3C)C2=O)c1,[*]N1CCN([*])C1=O,0.39431214,False
12450,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1=C(n2ccccc2=O)CC=C1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7432136,False
12451,O=C(NCC=CCN1CCN(c2ccccc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.722092,False
12452,O=C(NCC=CCN1CCN(c2ccccc2[N+](F)(F)F)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8268017,False
12453,O=C1N(CC2CCCc3sccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5999452,False
12454,O=C1N(CC2CCNCC2)CCN1C1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.5820362,False
12455,O=C1N(CCN2CC3CCC(C2)CN(c2ccccc2)C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.71741116,False
12456,O=C1N(c2ccc3c(c2)CC2=CC=CS3=C2)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.24149223,False
12457,O=C1N(c2ccc3ccccc3c2)CCN1C1CCCCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.3165846,False
12458,O=C1N(c2cccc(Cl)c2)CCN1c1cccc(CC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.4450889,False
12459,C#CCN(C)c1cccc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.42431343,False
12460,CC(C)c1cccc(N2CCN(CCN3CCN(Cc4ccccc4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.7010452,False
12461,CC1(C)C2CCC1(CN1CCCC1CN1CCN(c3cc(Cl)cc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.38921663,False
12462,CC1(C)C2CCCN(CCN3CCN(Cc4cccc(Cl)c4)C3=O)CC1CC2,[*]N1CCN([*])C1=O,0.5617164,False
12463,CCCN(CCC)C1COc2c(cccc2C(=O)c2csc(C)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5398088,False
12464,CCCN(COCc1cccs1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5640546,False
12465,CCCc1cccc2c1OCC(N(CCC)C(=O)c1cc(C(=O)O)co1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.42413527,False
12466,CCCc1cccc2c1OCC(N(CCC)CCc1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.7907754,False
12467,CNCc1cccc(CN2CCN(c3ccccc3Cl)C2=O)c1,[*]N1CCN([*])C1=O,0.26722395,False
12468,CNc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93524593,False
12469,CNc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34067756,False
12470,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3ccc2CCc2ccc(cc2)CC3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.843634,False
12471,CSc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42302176,False
12472,Cc1cc(F)cc(N2CCN(c3ccc4c(c3)Cc3ccccc3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.3564445,False
12473,Cc1ccccc1C(=O)NCC=CCN1CCN(c2cc(OCCF)ccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39710858,False
12474,O=C(NCC=CCN1CCN(c2ccc(Br)nc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6692018,False
12475,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54740924,False
12476,O=C(NCC=CCN1CCN(c2cccc(-c3ccccc3F)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46967,False
12477,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccn2nc(O)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89489543,False
12478,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(-c2ccccc2)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9508275,False
12479,O=C(NCCN1CCN([O-])CC1)c1cc(Br)c2ccccc2c1-c1ccccc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33121473,False
12480,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.8986648,False
12481,O=C1N(CCN2CCCc3cscc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.78059006,False
12482,O=C1N(c2cccc(Cl)c2)CCN1C(O)C1CCCNC1,[*]N1CCN([*])C1=O,0.28835782,False
12483,CC(C)c1cccc(N2CCN(CC(C)N3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.3965722,False
12484,CCCCN(CC)C1COc2c(cccc2OCc2ccccc2O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5374137,False
12485,CCCCN(CC)C1COc2c(cccc2Oc2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5023437,False
12486,CCCN(C(C)=O)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4713346,False
12487,CCCN(CCC)C1COc2c(cccc2Oc2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6635744,False
12488,CCCN(Cc1cccc(O)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62013507,False
12489,CCCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21251714,False
12490,CCN(CO)C1COc2c(cccc2C(C)(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.556083,False
12491,CN(C)CN1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.47669587,False
12492,CN(C)[N+](=O)c1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94437444,False
12493,CN1CC(CN2CCN(c3cccc(Cl)c3)C2=O)CCC1c1ccccc1,[*]N1CCN([*])C1=O,0.7712282,False
12494,COc1c(C(=O)NCCN2CCN(c3ccc(C)c([N+](=O)[O-])c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7669976,False
12495,COc1c(C(=O)NCCN2CCN(c3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.93444985,True
12496,COc1c(C(=O)NCCN2CCN(c3ccccc3C(C)=O)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.82743293,False
12497,COc1cccc(C(=O)NCC=CCN2CCN(Cc3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.27410954,False
12498,COc1ccccc1N1CCN(CC=CCNC(=O)C2CCc3ccccc32)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6355003,False
12499,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(CCO)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96258825,False
12500,Cc1ccc(F)nc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38811132,False
12501,Cc1ccc(N2CCN(C3CC4CCC3Cc3ccccc3N4C)C2=O)cc1,[*]N1CCN([*])C1=O,0.35871625,False
12502,O=C(NCC=CCN1CCN(COCCF)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34015235,False
12503,O=C(NCC=CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4900508,False
12504,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(O)c(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9180125,False
12505,O=C1N(CCN2CCCC(c3ccccn3)C2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.63005626,False
12506,O=C1N(CCN2CCN(Cc3cccc(Cl)c3)CC2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.68209773,False
12507,O=C1N(CCN2CCN(Cc3ccccn3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7720442,False
12508,O=C1N(CCNCc2cc3ccccc3s2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.28316104,False
12509,O=C1N(CNC2CCC3CCC(CC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5421738,False
12510,CC(C)N1CCN(CCN2CCN(c3ccccc3C#N)C2=O)CC1,[*]N1CCN([*])C1=O,0.73862267,False
12511,CC(C)c1cccc(N2CCN(CC3CCCNCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.42444515,False
12512,CC1CCCCC1N1CCN(c2cc(F)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.23018818,False
12513,CCCCN(CCCn1ccc(C)cc1=O)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.403408,False
12514,CCCCN(O)C1COc2c(CCN3C(=O)CC(C)(C)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48745266,False
12515,CCOc1c(C)ccc(COC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16468531,False
12516,COCCN(C)CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7915353,False
12517,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccn(C)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38888416,False
12518,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2Cc2cccs2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3992587,False
12519,COc1cc([N+](=O)[O-])ccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5587619,False
12520,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc4ccccc34)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.430611,False
12521,COc1ccc(O)c(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6711281,False
12522,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44421825,False
12523,COc1ccccc1N1CCN(CC=CCNC(=O)C2c3ccccc3-c3ccccc32)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7672321,False
12524,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccs3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9628462,False
12525,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)Cc2ccccc2C3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9337362,False
12526,Cc1cc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.7613446,False
12527,Cc1ccc2c(N3CCN(c4cccc(NC(=O)NC(C)(C)C)c4)C3=O)cccc2n1,[*]N1CCN([*])C1=O,0.09669062,False
12528,Cc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1-c1ccsc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87824535,False
12529,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1cccs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5076118,False
12530,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c[nH]c2ccc(O)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91133374,False
12531,O=C1N(CC2CCCCN(Cc3ccc(F)cc3)C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.493569,False
12532,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1NCC2CCc3ccccc3CC1CC2,[*]N1CCN([*])C1=O,0.51216424,False
12533,O=C1N(c2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.35352796,False
12534,CCCc1cccc2c1OCC(N(COC)C1CCC(=O)CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4756384,False
12535,CCOc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8647581,False
12536,CCc1ccc(C)c(OSC)c1C(=O)NCC1CCCN1SC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1879831,False
12537,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc([N+](=O)[O-])o2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.31370473,False
12538,COc1ccc2cc(F)cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53682154,False
12539,COc1cccc(Oc2c(OCCF)cccc2C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83288527,False
12540,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(O)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42518374,False
12541,Cc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82914704,False
12542,Cc1ccc2c(c1)N(C(=O)CN1CCN(c3ccc4sccc4c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.18870722,False
12543,N#CC1(CN2CCN(C3COOC3)C2=O)CCN(Cc2ccccc2)CC1,[*]N1CCN([*])C1=O,0.6122958,False
12544,N#Cc1cccc(N2CCN(CCN3CC4CCCCC3Cc3ccccc3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.5991421,False
12545,O=C(NCC=CCN1CCN(Cc2cc3ccccc3s2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35083833,False
12546,O=C(NCC=CCN1CCN(c2cc(Cl)c(Cl)[nH]2)CC1)c1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5354149,False
12547,O=C(NCC=CCN1CCN(c2ccc(OCCF)c(Oc3ccc(F)cc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42260042,False
12548,O=C(NCC=CCN1CCN(c2ccc3nccnc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37413397,False
12549,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2cccnc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8129812,False
12550,O=C(NCC=CCN1CCN(c2cccnc2-c2ncccc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70638114,False
12551,O=C1N(CC2CC(c3cccs3)CCN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5958506,False
12552,O=C1N(CC2CCCCC2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.38527676,False
12553,O=C1N(CCC(F)(F)F)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.70829165,False
12554,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.8573563,False
12555,O=C1N(CCN2CCC3(CC2)Cc2ccccc2C(O)C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8372429,False
12556,C=C1CC2(CCC(=O)C2)CC(=O)C1N(CCCC)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41175097,False
12557,C=Cc1cccc2c1OCC(N(CCC)CCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.806477,False
12558,CC(C)N1CCN(CCN2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7870004,False
12559,CC(C)NCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.44926602,False
12560,CC1(C)C2CCC1(CNCCN1CCN(c3cc(Cl)cc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.43009976,False
12561,CCCCCOc1c(OC)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.33127448,False
12562,CCCCOc1c(C)ccc(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.77557635,False
12563,CCCc1cccc2c1OCC(N(CCC)C(=O)Cc1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4771857,False
12564,CCCc1cccc2c1OCC(N(CCC)c1cc(C(O)(F)F)co1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.591444,False
12565,CCc1cccc2c1OCC(N(CO)CC(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.31200948,False
12566,CN(CN1CCN(c2cccc(Cl)c2)C1=O)C1CCCCC1,[*]N1CCN([*])C1=O,0.5893576,False
12567,CN1CCc2ccsc2CC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.63232756,False
12568,CNc1c(Cl)cccc1N1CCN(C2CCOOC2)C1=O,[*]N1CCN([*])C1=O,0.2194354,False
12569,COCC1C2CCC1CN(CCN1CCN(c3cccc(C(F)(F)F)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.7976111,False
12570,COc1ccc(-c2ccc(O)c(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5840104,False
12571,COc1cccc(C(=O)NCC=CCN2CCN(Cc3ccc(Cl)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3979679,False
12572,COc1cccc(N2CCN(CC=CCNC(=O)c3cccc(F)c3)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36806375,False
12573,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)oc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8594046,False
12574,Cc1ccc(-c2ccccc2)nc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6912567,False
12575,Cc1ccc(OCCF)c(N2CCN(CC=CCNC(=O)c3ccccc3F)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44297087,False
12576,N#CC1Cc2ccccc2CC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.45380312,False
12577,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1CCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8954068,False
12578,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(-c2cccs2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9641851,False
12579,O=C1N(CNCc2cccc(Cl)c2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.29477918,False
12580,O=C1N(Cc2ccc3ccccc3c2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.31328815,False
12581,CC(=O)ON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(C)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3065388,False
12582,CC(=O)Oc1c(Cl)ccc(Br)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2116172,False
12583,CC(C)OCc1ccc(N2CCN(c3cccc(Cl)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.37585935,False
12584,CC1c2ccccc2CN1CCN1CCN(c2cc(Cl)ccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.62501186,False
12585,CCCN(O)C1COc2c(CCc3ccc(C(F)(F)F)cc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.63586104,False
12586,CCc1ccc(C)c(C(=O)NCC2CCCN2SO)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16461371,False
12587,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccncc2-c2ccccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6898426,False
12588,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2c[nH]c3cc(OCCF)ccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4744802,False
12589,COc1cc[nH]c1C(=O)NCC=CCN1CCN(c2cc3ccccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39033303,False
12590,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)n3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4304956,False
12591,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(OCCF)c3)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38712963,False
12592,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc([N+](=O)[O-])nc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40277714,False
12593,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3F)CC2)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68475854,False
12594,COc1cccc(CN(C)CCN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.64458317,False
12595,COc1cccc(N2CCN(CC3CCCN(C)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.5190575,False
12596,COc1cccc(N2CCN(CCN3CCN(C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.85994524,False
12597,COc1cccc(N2CCN(c3cccc(C(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.20438413,False
12598,COc1cccc2[nH]cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.57751673,False
12599,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Br)ccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.879256,False
12600,Cc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31091595,False
12601,Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8911149,False
12602,O=C(CN1CCN(Cc2ccc(Cl)cc2)C1=O)NCc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.08826763,False
12603,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(O)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96183056,False
12604,O=C1N(Cc2cccc(Cl)c2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.39267516,False
12605,CC(C)NCCN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.49667716,False
12606,CC1CC2=CC=CC=CCC2CN1CCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.42864674,False
12607,CCCCN(C1CCCC1)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4688746,False
12608,CCCCN(OC)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6208768,False
12609,CCCCN(OS(=O)(=O)C(F)(F)F)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5324821,False
12610,CCCCN(c1ccc(O)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4670429,False
12611,CCN(CC(C)C)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5456417,False
12612,CCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6812723,False
12613,CCOc1c(OC)ccc(CSO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23666768,False
12614,CN1CCCC(N2CCN(C3CCCOC3)C2=O)C1,[*]N1CCN([*])C1=O,0.26602495,False
12615,CNCC12CCC(CC(C)(N3CCN(c4cccnc4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.23648651,False
12616,COc1cc(OC)cc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92012244,False
12617,COc1ccc(OC)c(C(=O)NCC=CCN2CCN(Cc3ccsc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.21107145,False
12618,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8109816,False
12619,COc1ccccc1C(=O)NCC=CCN1CCN(c2c[nH]c3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49591836,False
12620,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccc(F)cc3)no2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8506967,False
12621,Cc1ccc(Cl)cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47657195,False
12622,N#Cc1cccc(N2CCN(CCN3CCC(c4ccccc4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.90645903,False
12623,O=C(NCC=CCN1CCN(c2ccc(-c3ncccn3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51367,False
12624,O=C(NCC=CCN1CCN(c2ccc3nc(O)ccc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5048668,False
12625,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.932428,False
12626,O=C(NCN1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1)c1ccc(CCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3129167,False
12627,O=C1N(CC(F)(F)F)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.3433293,False
12628,O=C1N(CCN2CC3CCCCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.83746594,False
12629,O=C1N(CCN2Cc3ccc([N+](=O)[O-])cc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6031895,False
12630,C#CCN1COCC(CN2CCN(c3cccc(C#N)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.50059944,False
12631,CC(C)c1cccc(N2CCN(CCN3CC4CCC(C3)C(C)(C)C4)C2=O)c1,[*]N1CCN([*])C1=O,0.6197498,False
12632,CC(O)CN1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.35725942,False
12633,CC1CC2CCC(Cc3ccccc31)CN(CCN1CCN(c3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.6722608,False
12634,CCCCN(c1cc(C(C)=O)co1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3593973,False
12635,CCc1cccc2c1OCC(N(CCc1ccccc1)Cc1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.54069054,False
12636,COOc1c(Br)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17383665,False
12637,COc1c(C(=O)NCCN2CCN(c3ccc([O-])cc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8160681,False
12638,Cc1ccc(-c2c(C(=O)NCCN3CCN([N+](=O)[O-])CC3)cc(Br)c3ccccc23)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.26696345,False
12639,Cc1cccc(N2CCN(CCN3CCCCC3CF)C2=O)c1,[*]N1CCN([*])C1=O,0.52013075,False
12640,Cc1csc(N2CCN(c3cccc(C#N)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3575309,False
12641,N#Cc1cc(N2CCN(c3ccccc3-c3ccccc3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.22489104,False
12642,O=C(NCC=CCN1CCN(c2c[nH]cn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55330586,False
12643,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52249444,False
12644,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(O)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9064062,False
12645,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1-c1ccco1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83356565,False
12646,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1Cc1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.73118633,False
12647,O=C1N(CCN2CCCCCO2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5960681,False
12648,O=C1N(CCN2CCc3ccccc32)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.4994866,False
12649,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cc(F)ccc1Cl,[*]N1CCN([*])C1=O,0.67406434,False
12650,O=C1N(CCNCc2cccc(Cl)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.36558276,False
12651,O=C1N(CCc2cccc(Cl)c2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.43682006,False
12652,O=C1N(CCc2ccccc2)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.8463389,False
12653,O=C1N(Cc2cccc(Cl)c2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.32020828,False
12654,O=C1N(Cc2ccccc2)CCN1c1ccc2c(c1)Cc1ccccc1-2,[*]N1CCN([*])C1=O,0.4881383,False
12655,O=C1N(c2ccccc2Cl)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.1895226,False
12656,CC(C)CC1c2ccccc2CN1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5399302,False
12657,CCCCN(C(=O)c1cc2ccccc2o1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.33867145,False
12658,CCCCN(CC)C1COc2c(cccc2OC(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40613657,False
12659,CCCCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1[N+](=O)[O-],[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15546866,False
12660,CCCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6055266,False
12661,CCCc1cccc2c1OCC(N(CCC)Cc1ccc(-c3ccccc3)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.7482966,False
12662,CCN(CC(C)C)C1COc2c(cccc2-c2cccc(OC)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5097225,False
12663,CCN1CCCC1CNC(=O)c1c(OC)ccc(F)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8117983,False
12664,CCOOc1c(Br)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2144319,False
12665,CN1Oc2ccccc2CC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6853112,False
12666,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2[N+](=O)F)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.42638093,False
12667,COc1ccc(-c2cccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41706425,False
12668,COc1ccc2cc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4OC)CC3)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4115506,False
12669,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2[N+](=O)c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7059899,False
12670,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2-c2cnc[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80338585,False
12671,Cc1ccnc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8499662,False
12672,Nc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42595613,False
12673,Nc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7814914,False
12674,O=C(NCC=CCN1CCN(c2ccc[nH]2)CC1)c1cccc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43689317,False
12675,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NCc1ccsc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8180705,False
12676,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2[nH]ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8969976,False
12677,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2ccccc2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9373117,False
12678,O=C(NCC=CCN1CCN(c2cccnc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4985043,False
12679,O=C1N(CC2CCC(NCc3cccc(Cl)c3)CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.37964815,False
12680,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.734805,False
12681,O=C1N(c2ccccc2)CCN1C1CCCCC1c1ccccc1,[*]N1CCN([*])C1=O,0.28318608,False
12682,CC(C)CN(C1COc2c(O)cccc2C1)C1CCCC2(CC(=O)CC(=O)C2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.302781,False
12683,CC1C2CCC(C2)CC1COCCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5932353,False
12684,CC1CCC2Cc3ccccc3CC(C1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.73695314,False
12685,CCCCN(C(C)=O)C1COc2c(Cc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3311868,False
12686,CCN(CNC(C)=O)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2844814,False
12687,CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1COC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.38821948,False
12688,COCC1NCCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.51916444,False
12689,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc([N+](=O)O)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3943311,False
12690,COc1c(C(=O)NCCN2CCN(C(N)=O)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3184081,False
12691,COc1c(C(=O)NCCN2CCN(c3ccccc3Oc3cccc(Cl)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8282655,False
12692,COc1ccc(N(C)N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.21911675,False
12693,COc1ccc(N(C)c2ccccc2C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8742175,False
12694,COc1cccc(N2CCN(CCN3CCC(OC(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8742652,False
12695,Cc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2866318,False
12696,Cc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8385652,False
12697,Cc1ccnc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86382735,False
12698,O=C(NCC=CCN1CCN(c2cc(CF)ccc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65229905,False
12699,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2c(=O)ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88511163,False
12700,O=C(NCC=CCN1CCN(c2ccnc3cc(O)ccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54716694,False
12701,O=C(NCC=CCN1CCN(c2cncc([N+](=O)[O-])c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3861223,False
12702,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.56862897,False
12703,O=C1N(CCN2CCN(Cc3cccc(F)c3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7440357,False
12704,O=C1N(CCN2Cc3ccccc3C2CO)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.62687874,False
12705,O=C1N(CCc2ccccc2)CCN1Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.45579183,False
12706,CC(C)N1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.20330176,False
12707,CC1(C)CCN(CCN2CCN(Cc3ccc(F)cc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.63220054,False
12708,CCC1c2ccccc2CN1CCN1CCN(c2ccsc2)C1=O,[*]N1CCN([*])C1=O,0.7037529,False
12709,CCCCN(c1ccsc1)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5673301,False
12710,CCCN(CO)C1COc2c(CC3CCCCC4(CCCC4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45830584,False
12711,CCCN(Cn1ccc(C(F)(F)F)cc1=O)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5173383,False
12712,CCCSN1CCCC1CNC(=O)c1c(OC)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22934714,False
12713,CCc1ccc(C)c(OCl)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1515542,False
12714,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(Oc3ccccc3)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38935322,False
12715,COc1ccc2[nH]c(O)cc2c1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9398444,False
12716,COc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4c(Cl)cccc4OC)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39549372,False
12717,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)[nH]2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36038134,False
12718,COc1cccc(CCN2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37675095,False
12719,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3ccc(OCCF)cc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9375324,False
12720,O=C(CN1CCN(c2ccccc2Cl)C1=O)NCc1ccsc1,[*]N1CCN([*])C1=O,0.075853564,False
12721,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3Cl)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44958732,False
12722,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NC(=O)c1ccc(Cl)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89556676,False
12723,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90909535,False
12724,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccncc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8645213,False
12725,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccc(Br)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9138042,False
12726,O=C(c1cccs1)N1CCN(CC2CCC3CCCCN32)C1=O,[*]N1CCN([*])C1=O,0.1895028,False
12727,O=C1N(CCN2CC3CCC2Cc2ccccc2C3)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.5722873,False
12728,O=C1N(c2cccc(OC(F)(F)F)c2)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.2557509,False
12729,C#CCN(C)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.53665894,False
12730,C=CCOc1c(CCC)ccc(Cl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22067045,False
12731,CC1CCC2CCC(CN3CCN(c4cccc(Cl)c4)C3=O)N2C1,[*]N1CCN([*])C1=O,0.6427136,False
12732,CCCc1ccc(OC)c(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.31157774,False
12733,CCc1ccc(Br)c(C(=O)NCC2CCCN2CCCCl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5033303,False
12734,CN(C)CC12CCC(CC1N1CCN(CCN3Cc4ccccc4C3)C1=O)C2(C)C,[*]N1CCN([*])C1=O,0.739871,False
12735,CN(C)c1ccccc1C(=O)NCC=CCN1CCN(c2cc(Br)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46607932,False
12736,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([N+](F)(F)F)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.32876357,False
12737,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56675494,False
12738,COc1ccc2ccnc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35780498,False
12739,COc1ccccc1-c1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)co1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8200844,False
12740,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccc(Cl)cc3)no2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78868604,False
12741,N#Cc1ccccc1N1CCN(Cc2cccc3sccc23)C1=O,[*]N1CCN([*])C1=O,0.32445723,False
12742,Nc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92301303,False
12743,O=C(NCC=CCN1CCN(c2ccc(-c3cnco3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45985746,False
12744,O=C(NCC=CCN1CCN(c2cccc(-c3ccccc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46707872,False
12745,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1-c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9110158,False
12746,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1csc(-c2ccc(F)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92288744,False
12747,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(-c2cccnc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6358744,False
12748,O=C(NCC=CCN1CCN(c2ccncc2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6788151,False
12749,O=C(NCC=CCN1CCN(c2cnccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5029522,False
12750,O=C1N(CC2CCNCC2O)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.55168873,False
12751,O=C1N(CC2CNC3Cc4ccccc4CC3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6281289,False
12752,O=C1N(CCN2CCOCC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.2814699,False
12753,O=C1N(CN2CCC(C(F)(F)F)CC2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.6674556,False
12754,O=C1N(CN2CCCC(c3ccc(Cl)cc3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.65369314,False
12755,O=C1N(Cc2ccc(Cl)cc2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.3828731,False
12756,CC1CCCN(C(C)N2CCN(c3cccc(C(F)(F)F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.21387482,False
12757,CCC1Cc2ccccc2C2CCC2N(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.73108625,False
12758,CCCCN(c1cccc(C(F)(F)F)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48524722,False
12759,CN1CCCCC1CN1CCN(c2cccc(S(C)(=O)=O)c2)C1=O,[*]N1CCN([*])C1=O,0.5215482,False
12760,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(C)c([N+](=O)[O-])c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.2938442,False
12761,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc([N+](=O)[O-])cc2Cl)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38269317,False
12762,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc([O-])cc2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35834774,False
12763,COc1c(C(=O)NCCN2CCN(c3ccccc3C(=O)c3ccccc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7713102,False
12764,COc1ccc(CNCN2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.24844736,False
12765,COc1cccc2[nH]cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89584666,False
12766,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc([N+](=O)[O-])ccc2C=O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50772005,False
12767,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)NC(=O)CO3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6888167,False
12768,Nc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.965584,False
12769,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(O)n3)cc2)CC1)c1ncccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42605537,False
12770,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(OCCc2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5186056,False
12771,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(C(=O)NCCO)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92259544,False
12772,O=C(NCCN1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.25699505,False
12773,O=C1N(CC(O)CN2Cc3ccccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.44773537,False
12774,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccco1,[*]N1CCN([*])C1=O,0.7635715,False
12775,O=C1N(CCN2CCCCCCC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.9283396,False
12776,O=C1N(CCN2CCCc3sccc3C2)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.63848096,False
12777,O=C1N(CCN2CCN(CC(F)(F)F)CC2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.578218,False
12778,O=C1N(CCOCc2cccs2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.48150036,False
12779,O=C1N(CNCc2ccc3ccccc3c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3955189,False
12780,C#Cc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.9336906,False
12781,CC(NCN1CCN(c2ccc3c(c2)OCO3)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.2449115,False
12782,CCCN(CC)C1COc2c(cccc2OCc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7414395,False
12783,CCCN(CCCCC(c1ccco1)N1CCCC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5434606,False
12784,CCCN(Cc1ccccc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62322015,False
12785,CCCc1cccc2c1OCC(N(COC)Cc1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6127458,False
12786,CCN(CC)Cc1ccc(OC)c(OSC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23328108,False
12787,CN1CC2Cc3ccccc3CC(N3CCN(c4cccc(Cl)c4)C3=O)CCC21,[*]N1CCN([*])C1=O,0.51815486,False
12788,COCC1C2CCCC1CN(CCN1CCN(Cc3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.5932636,False
12789,O=C(Cc1cccc(F)c1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7806189,False
12790,O=C(NCC=CCN1CCN(c2ccc(-c3ccco3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4273336,False
12791,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8292102,False
12792,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Cl)c(Cl)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8956924,False
12793,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(Br)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85156655,False
12794,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccc(cc1)C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82796466,False
12795,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9889174,True
12796,O=C(NCC=CCN1CCN(c2ccccc2CF)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79952174,False
12797,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64073145,False
12798,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c[nH]c(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84693563,False
12799,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.7643463,False
12800,O=C1N(CCN2C3CCCCCC2Cc2ccccc2C3)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.6253011,False
12801,O=C1N(CCn2cccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7696918,False
12802,O=C1N(CN2CCCCCC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.38520387,False
12803,O=C1N(Cc2nc3ccccc3s2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.3582831,False
12804,O=CN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.41914904,False
12805,CC(C)(CN1CCN(CCN2Cc3ccccc3C2)C1=O)c1ccccc1,[*]N1CCN([*])C1=O,0.7896455,False
12806,CC1(C)CCN(CCN2CCN(c3ccc(Cl)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7132988,False
12807,CCCCN(CC)C1COc2c(cccc2C(=O)Cc2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.38707313,False
12808,CCCN(CCC)C1COc2c(cccc2-c2cocn2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.73063195,False
12809,CCCN(c1ccc(O)cc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51742435,False
12810,CCCN(c1ccco1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.497354,False
12811,CCCc1cccc2c1OCC(N(CC)CC(=O)c1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.30248734,False
12812,CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1CCCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.3381424,False
12813,CN(C)CC12CCC(CC1N1CCN(c3cccc(Cl)c3)C1=O)C2(C)C,[*]N1CCN([*])C1=O,0.48930562,False
12814,CN(CN1CCN(Cc2ccccc2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.552603,False
12815,COc1cc2ccccc2cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9369423,False
12816,COc1ccc(-c2n[nH]cc2C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8567589,False
12817,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3ccc(OCCF)cc3cc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5521107,False
12818,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccn3nc(O)cc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.58702534,False
12819,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C(F)(F)F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97627294,False
12820,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(OC)c3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86894673,False
12821,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(OCc3ccc(F)cc3F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9300178,False
12822,Cc1ccsc1CN(C)CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5281774,False
12823,O=C(NCC=CCN1CCN(c2cc3ccccc3c(O)n2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48830023,False
12824,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccccc2O)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8132531,False
12825,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc2nc(O)[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83106947,False
12826,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1-c1nc(O)cs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8070824,False
12827,O=C1N(CC2CCc3occc3C2)CCN1c1cccc(-c2ccsc2)c1,[*]N1CCN([*])C1=O,0.49210882,False
12828,O=C1N(CCN2C3CCCCC2Cc2ccccc2C3)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.5647107,False
12829,O=C1N(CCN2CC3CCCC(CC3)C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.6827453,False
12830,CC1Cc2ccccc2N1CCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.5668048,False
12831,CCC(C)N1CCCc2ccc(N3CCN(c4ccccc4)C3=O)cc21,[*]N1CCN([*])C1=O,0.37042108,False
12832,CCc1ccc(C)c(C(=O)NCC2CCCN2SC)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18758678,False
12833,CN(C)Cc1cccc(CN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.33969006,False
12834,CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4849721,False
12835,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2Br)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.45809495,False
12836,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C2CCCCO2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.28044984,False
12837,COc1cccc(C(=O)NCC=CCN2CCN(c3c(Cl)cccc3OC)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34164283,False
12838,COc1cccc(CCN2CCN(c3cccc(C)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.51221246,False
12839,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4364828,False
12840,COc1ccccc1Oc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88463193,False
12841,Cc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)[nH]c1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8668155,False
12842,Cc1cc(N2CCN(CCNc3cccc(Cl)c3)C2=O)ccn1,[*]N1CCN([*])C1=O,0.32305697,False
12843,Cc1ccc(N2CCN(CCN3CCN(Cc4cc5ccccc5s4)CC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.66265374,False
12844,Cc1cccc(CN(C)CCN2CCN(c3cccc4sccc34)C2=O)c1,[*]N1CCN([*])C1=O,0.48622513,False
12845,N#Cc1cccc(N2CCN(CCN3C4CCCCC3Cc3ccccc3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.6306573,False
12846,O=C(NCC=CCN1CCN(Cc2ccccc2OCCF)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3615694,False
12847,O=C(NCC=CCN1CCN(c2ccc(Oc3ccccc3F)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4201744,False
12848,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8785808,False
12849,O=C1N(CC2Cc3ccccc3C2)CCN1c1cccc(COC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.56260985,False
12850,O=C1N(CCN2CCCCC3CCCC32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5572963,False
12851,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.6455548,False
12852,O=C1N(CCOC2Cc3ccccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5786929,False
12853,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.4969701,False
12854,O=C1N(Cc2ccccc2Cl)CCN1c1c(O)oc2ccccc12,[*]N1CCN([*])C1=O,0.25375625,False
12855,O=C1N(c2ccc(Cl)c(F)c2)CCN1C1CCCCN1Cc1cccs1,[*]N1CCN([*])C1=O,0.29410484,False
12856,CC(c1ccccc1)N1CCC(CN2CCN(CCOc3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.463416,False
12857,CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.3086684,False
12858,CCCCN(C(=O)c1csc(C)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.17306587,False
12859,CCCCN(c1ccccc1C)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4006337,False
12860,CCCN(CC1CC1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.710314,False
12861,CCCN(CCN1CCCC1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.73437226,False
12862,CCOc1c([N+](C)=O)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20687744,False
12863,CCc1cccc2c1OCC(N(CC(C)C)C(=O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.21572164,False
12864,CN1CCC(N2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6323377,False
12865,CN1CCCCCC1N1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.4097527,False
12866,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([N+](C)N)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.36581215,False
12867,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2cc3ccccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4567952,False
12868,COc1cccc(N2CCN(CC3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.47662625,False
12869,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccnc3ccc(OCCF)cc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.57710785,False
12870,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3c2-c2ccccc2Cc2ccccc2C3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8711656,False
12871,COc1ccccc1[N+](=O)NCN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.25385058,False
12872,N#Cc1ccccc1CNC1CCC(N2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.4565048,False
12873,O=C(NCC=CCN1CCN(c2cc(-c3ccc[nH]3)ccc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5217044,False
12874,O=C(NCC=CCN1CCN(c2cc3ccccc3[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44341016,False
12875,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.71052,False
12876,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc2c(c1)COC2,[*]N1CCN([*])C1=O,0.7963552,False
12877,O=C1N(CCNCc2cc3ccccc3s2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.27609372,False
12878,O=C1N(CNCc2cccc(Cl)c2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.2485739,False
12879,O=C1N(c2cccc(F)c2)CCN1C1CCCCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.33673087,False
12880,CC(C)CN(O)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.44937533,False
12881,CC(CN1CCN(c2ccccc2)C1=O)N1CCCCCC1,[*]N1CCN([*])C1=O,0.24856175,False
12882,CC1CC2CCC1CC(NCCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.5734144,False
12883,CC1CCCCCC2C1CN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6291661,False
12884,CCCCN(CC)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5793216,False
12885,CCCCN(O)C1COc2c(CCCN3C(=O)CC4(CCCC4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53455997,False
12886,CCCN(CC(=O)NC(C)(C)C)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4074623,False
12887,CCCN1CCCC1CNC(=O)c1c(CC)ccc(C)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.366801,False
12888,CCCc1cccc2c1OCC(N(CCC)C(=O)c1cccc(C(F)(F)F)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.28103465,False
12889,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88528776,False
12890,CN(C)c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6056632,False
12891,COOc1c(SC)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16574758,False
12892,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(C(F)(F)F)cc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37258533,False
12893,COc1cccc(N2CCN(CCNC(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.50909716,False
12894,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(O)c(C)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35125962,False
12895,COc1ccccc1CN1CCN(C2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.36115143,False
12896,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C)c(C)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8891075,False
12897,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3ccccc3n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90971076,False
12898,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Br)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8399345,False
12899,COc1ccccc1N1CCN(CCNCC2CCCCO2)C1=O,[*]N1CCN([*])C1=O,0.24849193,False
12900,Cc1cc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8726056,False
12901,Cc1ccc(N2CCN(CC(C)N3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.3348689,False
12902,N#Cc1ccc(Cl)c(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8537819,False
12903,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.2685224,False
12904,O=C(NCC=CCN1CCN(C2=CC=Cc3ccccc3N2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.20562354,False
12905,O=C1N(CCN2CC3CCc4ccccc4C(CC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.77289504,False
12906,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1Cc1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.80717707,False
12907,O=C1N(CCNCc2cccc(F)c2)CCN1CC1CCCOC1,[*]N1CCN([*])C1=O,0.1865681,False
12908,CC(C)(C)CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4969442,False
12909,CCCCN(CCC)C1COc2c(cccc2C(=O)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56649077,False
12910,CCCCN(c1ccccc1F)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.50678205,False
12911,CCCN(CCC)C1COc2c(cccc2-c2csc(C)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.76011455,False
12912,CCCc1ccc(OC)c(C(=O)NCC2CCCN2C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.26858503,False
12913,CCc1ccc(C)c(OO)c1C(=O)NCC1CCCN1F,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14491935,False
12914,CN(C)CN1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.29836574,False
12915,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(C(=O)[O-])cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.36694428,False
12916,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2NCc2cccc([N+](=O)[O-])c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.25037205,False
12917,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48183936,False
12918,COc1c2cccc-2occ1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5497008,False
12919,COc1ccc(-c2ccccc2)c(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7956995,False
12920,COc1ccccc1CC(=O)NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.26327705,False
12921,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(N(C)C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95000875,False
12922,Cc1ccc(Cl)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88472885,False
12923,Cc1ccccc1C1CCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.707547,False
12924,O=C(NCC=CCN1CCN(c2cc[nH]c2O)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7061934,False
12925,O=C(NCC=CCN1CCN(c2ccc3[nH]ccc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42727503,False
12926,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(F)cc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91033417,False
12927,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(O)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8972943,False
12928,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8511178,False
12929,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c(O)[nH]c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82155585,False
12930,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(NCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88734066,False
12931,O=C(NCCN1CCN(c2cccc(Cl)c2)C1=O)c1ccc2c(c1)-c1ccccc1C2,[*]N1CCN([*])C1=O,0.42710587,False
12932,O=C1N(CCc2ccc3c(c2)Cc2ccccc2-3)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.56776875,False
12933,O=C1N(Cc2ccccn2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.42691624,False
12934,O=C1N(Cc2ccccn2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.2944796,False
12935,CC(C)(C)C1CCC2(CC1)CN2CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5839552,False
12936,CC1(C)CCC2(CCCN(CCN3CCN(c4cccc([N+](N)=O)c4)C3=O)C2)C1,[*]N1CCN([*])C1=O,0.6615837,False
12937,CCCc1cccc2c1OCC(N(CCC)c1ccncc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5901556,False
12938,CCN(CCC(C)C)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47852284,False
12939,CCOc1c(OC)ccc(CC)c1C(=O)NCC1CCCN1SC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2623653,False
12940,COc1ccc(-c2nocc2N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4915409,False
12941,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42352936,False
12942,COc1cccc(CN2CCN(CCCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7107788,False
12943,COc1cccc(N2CCN(CC34CCC(CCNC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.4650639,False
12944,COc1ccccc1CN1CCN(CC=CCNC(=O)c2cccc(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2723782,False
12945,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccsn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9365848,False
12946,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(F)cc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9068689,False
12947,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccnc3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.883872,False
12948,COc1ccccc1NN1CCN(CC=CCNC(=O)c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.18086721,False
12949,Cc1cc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)n(C)c1,[*]N1CCN([*])C1=O,0.73633635,False
12950,Cc1ccc(OC(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79400676,False
12951,Cc1ccccc1N1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.29615226,False
12952,Cc1sccc1N1CCN(CCN2CCCCCC2)C1=O,[*]N1CCN([*])C1=O,0.5726226,False
12953,O=C(COCCF)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7144627,False
12954,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(Br)cc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44587266,False
12955,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]c1=O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.858189,False
12956,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1Cc1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8945107,False
12957,O=C(NCC=CCN1CCN(c2ccccc2OCF)CC1)c1c[nH]c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85761255,False
12958,O=C1N(CCN2CCc3ccsc3CC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.6754223,False
12959,O=C1N(c2cccs2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.23332724,False
12960,C#Cc1ccc(N(CCCC)C2COc3c(CC)cccc3C2)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.45701176,False
12961,CC(C)c1cccc(N2CCN(CC(=O)N3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.12806775,False
12962,CC(c1ccccc1)C(C)N1CCC(CN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.37755904,False
12963,CCCCN(CC)C1COc2c(cccc2-c2cccc(F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52486724,False
12964,CCCN(C(C)C)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6429268,False
12965,CCNCCN1CCN(c2cccc(OC)c2)C1=O,[*]N1CCN([*])C1=O,0.49611637,False
12966,CCc1ccc(C)c(OO)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15959215,False
12967,CN(CCN1CCN(c2cc(Cl)ccc2F)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.5227601,False
12968,COc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.9469107,False
12969,COc1cccc2[nH]c(C(=O)NCC=CCN3CCN(c4ccc(OCCF)cc4)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44811288,False
12970,COc1cccc2[nH]c(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3954204,False
12971,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8710244,False
12972,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(C(=O)NCc3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8707861,False
12973,Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.86757183,False
12974,Cc1ccc(N2CCN(CC3CCCCC3)C2=O)cn1,[*]N1CCN([*])C1=O,0.25968668,False
12975,O=C(C=CCNC(=O)c1ccc(Cl)cc1Cl)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7645986,False
12976,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3O)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46084386,False
12977,O=C(NCC=CCN1CCN(c2ccc(-c3ccoc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42591482,False
12978,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccnc1[N+](=O)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9308427,False
12979,O=C(NCC=CCN1CCN(c2ccccc2[N+](=O)[N+](=O)[O-])CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75048554,False
12980,O=C(NCCN1CCN(CO[O-])CC1)c1cc(Br)c2ccccc2c1-c1ccccc1[N+](=O)[O-],[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3349477,False
12981,O=C1N(CCN2CCCCC2Cc2cccc(F)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.633632,False
12982,O=C1N(CCN2CCCCCC2)CCN1Cc1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.5695794,False
12983,CC12CCC1(CCN1CCN(c3cccc(Cl)c3)C1=O)CCNC2,[*]N1CCN([*])C1=O,0.72814083,False
12984,CCCN(C)CCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.6135935,False
12985,CCCc1ccc(CC)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2947283,False
12986,CCOc1c(OC)ccc(CCCCS)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2755606,False
12987,CCc1cccc2c1OCC(N(CCC(C)[O-])C(=O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.21743532,False
12988,CN1CCCCC1CN1CCN(C2COOC2)C1=O,[*]N1CCN([*])C1=O,0.4151109,False
12989,COCC1Cc2ccccc2CN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7218408,False
12990,COc1cccc(CN2CCN(c3cccc(Cl)c3F)C2=O)c1,[*]N1CCN([*])C1=O,0.31190747,False
12991,COc1cccc(N2CCN(c3ccc4c(c3)CN(Cc3ccccc3)CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.4569314,False
12992,COc1cccc2c1CCC1CCCC2N1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5614714,False
12993,Cc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5066279,False
12994,O=C(C=Cc1ccc(Cl)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7141824,False
12995,O=C(C=Cc1ccccc1)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7423994,False
12996,O=C(NCC=CCN1CCN(c2cc(Br)ccc2OCCF)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48168886,False
12997,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1cc(-c2ccccc2)cs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48187938,False
12998,O=C(NCC=CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cc(Cl)ccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42120093,False
12999,O=C(NCC=CCN1CCN(c2ccc3ccc(O)cc3c2)CC1)c1cc[nH]c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4390634,False
13000,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1[nH]cc2cc(O)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8693827,False
13001,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Oc2ccccc2OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8866596,False
13002,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1C=NO,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9106106,False
13003,O=C(NCC=CCN1CCN(c2cccc(F)n2)CC1)c1c(F)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37554497,False
13004,O=C1N(CC(F)(F)F)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.38880718,False
13005,O=C1N(CC2CC3CC2CN3Cc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5217271,False
13006,O=C1N(CC2CCCNC2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.35839736,False
13007,O=C1N(CCN2CCOc3ccccc3CC23CCCCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5603305,False
13008,O=C1N(CN2CCCCCC2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.24506783,False
13009,O=C1N(Cc2ccncc2)CCN1Cc1cccs1,[*]N1CCN([*])C1=O,0.31586495,False
13010,CC(=O)N1CCN(CCN2c3ccccc3CC2(C)C)C1=O,[*]N1CCN([*])C1=O,0.28852427,False
13011,CCCN(CSC)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.68227935,False
13012,CCOc1c(CO)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23701002,False
13013,CCc1cccc2c1OCC(N(CC(=O)c1ccoc1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.29498792,False
13014,CN(Cc1cccc2sccc12)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.43797773,False
13015,COCC1CCCN1CCN1CCN(c2ccc(Cl)cc2Cl)C1=O,[*]N1CCN([*])C1=O,0.40588617,False
13016,COc1cccc(CN2CCCC(CN3CCN(c4cccc(Cl)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.63061464,False
13017,COc1cccc(CN2CCN(CCc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.37446046,False
13018,COc1ccccc1-c1cc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72798365,False
13019,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(C(F)(F)F)ccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85045147,False
13020,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3c(OC)cccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.963147,False
13021,CS(=O)(=O)c1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.645031,False
13022,Cc1ccc(CN(C)CN2CCN(c3cccc(Cl)c3)C2=O)s1,[*]N1CCN([*])C1=O,0.42879996,False
13023,Cc1cccc(N2CCN(CC34CCC(CC3)CN(C)C4)C2=O)c1,[*]N1CCN([*])C1=O,0.44990054,False
13024,Cc1cccc(N2CCN(CNCc3ccsc3)C2=O)c1,[*]N1CCN([*])C1=O,0.31007966,False
13025,Cc1ncc(-c2ccccc2)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82691103,False
13026,Nc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8040957,False
13027,O=C(NCC=CCN1CCN(Cc2cccc(Cl)c2Cl)CC1)c1ccc(-c2ncc[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35691133,False
13028,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccccc2)cnc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9090989,False
13029,O=C(NCC=CCN1CCN(c2cccc3ccnn23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41339552,False
13030,O=C(NCCN1CCN(Cl)CC1)c1cc(Br)c2ccccc2c1Cc1ccccc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.43040833,False
13031,O=C1N(CCN2CCC(c3cccc(Cl)c3)CC2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8416663,False
13032,O=C1N(CCN2CCc3ccc(F)cc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.7213122,False
13033,O=C1N(c2ccc(CN3Cc4ccccc4C3)cc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.59952426,False
13034,C=C(O)CN(CCC)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5593503,False
13035,C=CCc1ccc(C)c(OCC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1625767,False
13036,CC(C)CN1CCN(CCCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7140553,False
13037,CC12CCC(CCc3ccccc3C1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.6300743,False
13038,CCCCC1C2CCC2N1CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.4885582,False
13039,CCCCN(CC)C1COc2c(COc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5642912,False
13040,CCCCN(CCC)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7553457,False
13041,CCCN(CCC)C1COc2c(cccc2C(=O)c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.64899707,False
13042,CCCc1ccc(CC)c(C(=O)NCC2CCCN2C)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22118746,False
13043,CCN(CC(=O)c1ccoc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.27508506,False
13044,CCOc1c(C)ccc(Br)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16109192,False
13045,CCOc1c(C)ccc(C)c1C(=O)NCC1CCCN1CO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.39457035,False
13046,CN(Cc1cccc(C#N)c1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5457473,False
13047,CNc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8847176,False
13048,COCC1CCCCN1CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.33003494,False
13049,COc1cccc(C(=O)NCC=CCN2CCN(Cc3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28307822,False
13050,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccc(Cl)cc3)ccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41706035,False
13051,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Br)cn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.429582,False
13052,COc1ccnc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89599067,False
13053,N#Cc1cc(N2CCN(c3cccc(Cl)c3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.35920888,False
13054,NN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2Cl)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.48256457,False
13055,O=C(NCC=CCN1CCN(NCc2ccc(-c3cccc(O)n3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2294684,False
13056,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C(=O)NCc1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81796217,False
13057,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88326406,False
13058,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)OCCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7236284,False
13059,O=C(NCc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5290973,False
13060,O=C1N(CC2CCc3ccccc3C2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.54925317,False
13061,O=C1N(CCc2cccc(Cl)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.40849918,False
13062,O=C1N(CNCCOC2CCCCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.2990367,False
13063,C#CCN(CC)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5099875,False
13064,CC1CCCc2ccc(N3CCN(c4ccc(Cl)cc4)C3=O)cc2N1C,[*]N1CCN([*])C1=O,0.40891904,False
13065,CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6796281,False
13066,CCN1CCCC1CNC(=O)c1c([O-])ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8040572,False
13067,CCN1CCN(c2cccc3c2N(C)CCC(C)C3)C1=O,[*]N1CCN([*])C1=O,0.6168032,False
13068,CCc1ccc(OC)c(C(=O)NCC2CCCN2SS)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24949421,False
13069,CN(C)Cc1sccc1N1CCN(c2ccc3c(c2)COCC3)C1=O,[*]N1CCN([*])C1=O,0.268447,False
13070,CN(CCN1CCN(Cc2ccccc2F)C1=O)Cc1ccccc1,[*]N1CCN([*])C1=O,0.46981487,False
13071,CN(CCN1CCN(c2ccc3sccc3c2)C1=O)Cc1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.5060057,False
13072,CN1CC2CCC(Cc3ccccc31)C(N1CCN(c3cccc(C#N)c3)C1=O)NC2,[*]N1CCN([*])C1=O,0.5611912,False
13073,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(C=O)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34995833,False
13074,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2[N+](C)=O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.390809,False
13075,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4131844,False
13076,COc1cccc(CN2CCN(C3CCOOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.3833916,False
13077,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2[N+](=O)F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89160126,False
13078,O=C(NCC=CCN1CCN(c2ccc(OCc3ccccc3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46262616,False
13079,O=C(NCC=CCN1CCN(c2cccc(-c3cccc(F)c3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46745524,False
13080,O=C(NCC=CCN1CCN(c2cccc(-c3ccccn3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.531761,False
13081,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccoc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8882281,False
13082,O=C(NCC=CCN1CCN(c2ccco2)CC1)c1cccc([N+](=O)[O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.25627986,False
13083,O=C1N(CCN2CCCCCC2c2ccccc2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.40828925,False
13084,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.8455802,False
13085,O=C1N(Cc2ccc(Cl)cc2)CCN1C1COc2ccccc21,[*]N1CCN([*])C1=O,0.3914172,False
13086,O=C1N(c2cccc(O)c2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.19612615,False
13087,CC(=O)NCc1cccc(N2CCN(c3cccc(C)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.08502117,False
13088,CC(C)N1CCN(C(C)CN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.31867945,False
13089,CC(CN1CCN(c2ccc(F)c(Cl)c2)C1=O)N1CCCCC1,[*]N1CCN([*])C1=O,0.262288,False
13090,CC1CCCCN1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.54043573,False
13091,CC1CCCCN1Cc1cccc(N2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.3392157,False
13092,CC1CCCN(CCN2CCN(c3cccc(Cl)c3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.578435,False
13093,CC1CCCc2ccccc2N1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.66191554,False
13094,CCCN(CCC)C1COc2c(cccc2OC(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5602622,False
13095,CCCN(Cc1cccs1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47153127,False
13096,CCCc1cccc2c1OCC(N(CC)CC(=O)C(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.38930196,False
13097,COc1c(CF)cccc1C(=O)NCC=CCN1CCN(c2ccc(CCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41930184,False
13098,COc1cc2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3528278,False
13099,COc1ccc(-c2coc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34229997,False
13100,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4F)CC3)[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5144065,False
13101,COc1ccc2cc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39138684,False
13102,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c3c(OCCF)cccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82094985,False
13103,N#CC1(CN2CCN(c3cccc(Cl)c3)C2=O)CCN(Cc2cccc(Cl)c2)CC1,[*]N1CCN([*])C1=O,0.6259772,False
13104,Nc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Cl)c(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7831812,False
13105,O=C(NCC=CCN1CCN(c2cc3cc(Cl)c(O)cc3[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43621418,False
13106,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93804073,False
13107,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccsc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93786323,False
13108,O=C(NN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.25206387,False
13109,O=C1N(C=Cc2ccccc2)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.53631806,False
13110,O=C1N(CC2CCNCC2)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.4667505,False
13111,O=C1N(CCN2CCCC(COc3ccccc3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.76577455,False
13112,O=C1N(CCN2CCOCC2)CCN1Cc1ccc(F)cc1,[*]N1CCN([*])C1=O,0.2956882,False
13113,O=C1N(CCN2CCc3ccc(C(F)(F)F)cc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8175496,False
13114,CC(C)C1NCCCC1N1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.23042023,False
13115,CC1(C)CCN(CCN2CCN(c3cccc4sccc34)C2=O)CC1,[*]N1CCN([*])C1=O,0.7027068,False
13116,CC1(CN2CCN(c3ccccc3)C2=O)CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.4678729,False
13117,CCCCN1CCCC1CNC(=O)c1c(SC)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.50008625,False
13118,CCCN(C(C)CC)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7006271,False
13119,CCCN(CC)C1COc2c(cccc2-c2ccc(C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57076675,False
13120,CCN(CF)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.58180875,False
13121,CCOc1c(OC)ccc(CCSC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20351,False
13122,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cc(N)ccc2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38042143,False
13123,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2[N+](=O)c2cccc(C)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34657255,False
13124,COc1c(C)ccc(O)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22987267,False
13125,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4ccc(Cl)cc4Cl)CC3)oc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49107146,False
13126,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccnc(-c3ccccc3O)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8160084,False
13127,CSc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3944977,False
13128,O=C(NCC=CCN1CCN(c2c[nH]c3ccc(OCF)cc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5252782,False
13129,O=C(NCC=CCN1CCN(c2ccc([O-])cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4071867,False
13130,O=C(NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2-c2ccccc2-3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4357495,False
13131,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1=CC=CSc2ccccc21,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7280446,False
13132,O=C1N(CC2CCCNC2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.3751809,False
13133,O=C1N(CC2CCCc3ccccc3N2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.48920152,False
13134,O=C1N(CCN2CC3CCCC(CC3)C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6385971,False
13135,O=C1N(CCN2CCCc3cscc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.76153946,False
13136,O=C1N(CCN2CCc3ccccc3C2)CCN1C(F)(F)Oc1ccccc1,[*]N1CCN([*])C1=O,0.5913861,False
13137,O=C1N(CCc2ccccc2Cl)CCN1CCN1CCCCCC1,[*]N1CCN([*])C1=O,0.6746493,False
13138,O=C1N(c2cccc(Cl)c2F)CCN1C1CCCCCN1,[*]N1CCN([*])C1=O,0.18986942,False
13139,C=[N+]([O-])c1ccccc1-c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34663308,False
13140,CC1=NCC(C)C(N2CCN(c3cccc(Cl)c3)C2=O)=C1,[*]N1CCN([*])C1=O,0.34653226,False
13141,CCCc1cccc2c1OCC(N(CCCN1C(=O)CCC3(CCCC3)CC1=O)CC(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.43197215,False
13142,CCc1ccc(COC)c(C(=O)NCC2CCCN2SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2569931,False
13143,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(C)c(C)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.28997883,False
13144,COc1c(CF)cccc1C(=O)NCC=CCN1CCN(c2cc3cc(OCCF)ccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34546682,False
13145,COc1ccc(OCCF)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9243415,False
13146,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(-c4ccccn4)cc3)CC2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35009134,False
13147,COc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3F)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64017016,False
13148,COc1ccccc1C(=O)NCC=CCN1CCN(c2c(Cl)cc(Cl)cc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4442831,False
13149,O=C(NCC=CCN1CCN(c2ccc(Br)cc2)CC1)c1cccc(Cl)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53575265,False
13150,O=C(NCC=CCN1CCN(c2ccc3c(c2)c(=O)[nH]c2ccccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39198372,False
13151,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Cl)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93392825,False
13152,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1ccc(OCCF)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39996135,False
13153,O=C1N(C#CCOc2ccccc2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.2525701,False
13154,O=C1N(CCF)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7412307,False
13155,O=C1N(CCN2C3CCCCC2CC3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.3889495,False
13156,O=C1N(CCN2CCCC3CCCCC3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.830645,False
13157,O=C1N(CCN2CCCCCC2)CCN1c1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.8310059,False
13158,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(OCCF)c1,[*]N1CCN([*])C1=O,0.8873988,False
13159,O=C1N(CCN2Cc3ccccc3C2)CCN1c1csc(-c2ccccc2)n1,[*]N1CCN([*])C1=O,0.79111725,False
13160,O=C1N(c2cccc(O)c2)CCN1C1CCCN(Cc2cccc(Cl)c2)C1,[*]N1CCN([*])C1=O,0.38167083,False
13161,C=Cc1cccc2c1OCC(N(CCC)CC(=O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.43628606,False
13162,CC(c1cccc(Cl)c1)N1CCN(Cc2ccccn2)C1=O,[*]N1CCN([*])C1=O,0.23961784,False
13163,CCCCCCC1C2CCC2CN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.62968516,False
13164,CCCCN(O)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5074607,False
13165,CCCc1cccc2c1OCC(N(CC(=O)c1ccoc1)C1CCCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.31905514,False
13166,CCOc1c(C)ccc(S)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15621325,False
13167,CN1CCCCC1N1CCN(C2CCCOC2)C1=O,[*]N1CCN([*])C1=O,0.24304332,False
13168,COc1c(C(=O)NCCN2CCN(Cc3ccc(Cl)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.5112239,False
13169,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2cc(C)ccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4704718,False
13170,COc1cccc(N2CCN(CCN3CCOCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.46755514,False
13171,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccno3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9279288,False
13172,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(N(C)c3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88513654,False
13173,Cc1ccnc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9171277,False
13174,N#CC(C#N)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8544121,False
13175,Nc1cc2cc(N3CCN(Cc4cccc(Cl)c4)C3=O)ccc2s1,[*]N1CCN([*])C1=O,0.3705058,False
13176,O=C(NCC=CCN1CCN([N+](=O)[O-])CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2774585,False
13177,O=C(NCC=CCN1CCN(c2ccc(-c3ncc[nH]3)cc2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4441055,False
13178,O=C(NCC=CCN1CCN(c2ccc(Br)s2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43650573,False
13179,O=C(NCN1CCN(CCN2Cc3ccccc3C2)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.45333675,False
13180,O=C1N(CC2(c3cccc(Cl)c3)CCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.47068542,False
13181,O=C1N(CC2CCCCN2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.6399132,True
13182,O=C1N(CCN2CCC(c3ccc(Cl)cc3)CC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.8511426,False
13183,O=C1N(c2cccc(Cl)c2)CCN1C1CCCC2Cc3ccccc3CC21,[*]N1CCN([*])C1=O,0.43767434,False
13184,O=C1N(c2cccc(Cl)c2)CCN1C1COc2ccccc2C1,[*]N1CCN([*])C1=O,0.52814424,False
13185,CC(C)c1cccc2c1OCC(N(CO)CN1CCCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.46903348,False
13186,CC1(C)C2CCC1(CNCN1CCN(c3ccccc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.38321033,False
13187,CCCCN(C(=O)c1ccc(C(F)(F)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.26163295,False
13188,CCCCN(c1ccco1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.44046885,False
13189,CCCN(C(C)=O)C1COc2c(cccc2C(=O)c2cc(C)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3529604,False
13190,COCc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74560386,False
13191,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2[SH](=O)(c2ccccc2)N(C)C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39488176,False
13192,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52210295,False
13193,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(C)cc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4272663,False
13194,Cn1cccc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9126263,False
13195,N#Cc1ccc2c(c1)CN(CCN1CCN(c3cc(F)cc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.72434056,False
13196,O=C(NCC=CCN1CCN(C2=CC3=CC=CC(OCCF)=CC(=C2)c2ccccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32224727,False
13197,O=C(NCC=CCN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60003805,False
13198,O=C(NCC=CCN1CCN(c2ccc3ccccc3n2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40281916,False
13199,O=C(NCC=CCN1CCN(c2cccc3c2-c2ccccc2Cc2ccc(O)cc2C3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.62402064,False
13200,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccccc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8649156,False
13201,O=C(NCC=CCN1CCN(c2cscc2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7012867,False
13202,O=C1N(CCN2CC3CCC(c4ccccc4)CC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8092855,False
13203,O=C1N(CCN2CC3CCCCC(CC3)C2)CCN1Cc1cccs1,[*]N1CCN([*])C1=O,0.5626674,False
13204,O=C1N(CCN2CCCC3COCCCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.50533414,False
13205,O=C1N(CCN2CCCc3ccsc3CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.72606176,False
13206,O=C1N(CCN2CCN(c3ccccc3)CC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.7718988,False
13207,O=C1N(CCN2Cc3ccccc3C2)CCN1COCc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7523651,False
13208,CC(C)NC(=O)NCCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.28117833,False
13209,CC1=CC=C(C)CN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.822605,False
13210,CCCN(CCN1CCC2(CCCC2)CC1=O)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.59514344,False
13211,CCCc1cccc2c1OCC(N(CCC)c1ccc(NC(=O)O)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.16582537,False
13212,CCCc1cccc2c1OCC(N(CO)CC1CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.54408044,False
13213,CCOc1c(OC)ccc(OS)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24971454,False
13214,CCc1cccc2c1OCC(N(CCO)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.40154532,False
13215,CCc1cccc2c1OCC(N(Cc1ccc(C(F)(F)F)cc1)CC(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.41466722,False
13216,CN(CN1CCN(c2ccccc2)C1=O)CC12CCC(CC(C)(C)C1)C2,[*]N1CCN([*])C1=O,0.54032964,False
13217,CN1CC2(CCCC(N3CCN(c4cccc(Cl)c4)C3=O)C2)Cc2ccccc21,[*]N1CCN([*])C1=O,0.4514014,False
13218,CN1CC2(CCCCC2N2CCN(c3cc(Cl)cc(Cl)c3)C2=O)Cc2ccccc21,[*]N1CCN([*])C1=O,0.30220306,False
13219,CNC(=O)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8861251,False
13220,COc1ccc2c(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)c[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50704443,False
13221,COc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3F)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35039866,False
13222,Cc1ccc(N2CCN(Cc3csc4ccccc34)C2=O)s1,[*]N1CCN([*])C1=O,0.35667568,False
13223,Cc1ccncc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36072123,False
13224,O=C(NCC=CCN1CCN(c2[nH]cc3c2C=CC(Cl)=CC=C3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30818918,False
13225,O=C(NCC=CCN1CCN(c2cc(Br)ccc2OCCF)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5197884,False
13226,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccsc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.976278,False
13227,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65416664,False
13228,O=C(NCC=CCN1CCN(c2cnccc2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6817477,False
13229,O=C1N(CC2CCCCN2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.43685612,False
13230,O=C1N(CCN2CCC3CCCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7696903,False
13231,O=C1N(CCN2CCN(Cc3csc4ccccc34)CC2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.7218465,False
13232,O=C1N(CCN2CCc3sccc3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5399207,False
13233,CC12CCC(CC(NCCN3CCN(c4cccc(Cl)c4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.6453201,False
13234,CC1CCCN(CN2CCN(c3ccc(Cl)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.39660472,False
13235,CCCCCN(c1ccco1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43716916,False
13236,CCCCCc1ccc(Br)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.824092,False
13237,CCCc1cccc2c1OCC(N(CC)CS(=O)(=O)c1cccc(C(F)(F)F)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4523285,False
13238,CCCc1cccc2c1OCC(N(CCC)Oc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.7209279,False
13239,CCCc1cccc2c1OCC(N(Cc1ccccc1)CC1CCN(C(C)=O)CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.15928592,False
13240,CCc1ccc(C)c(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21346597,False
13241,CNC(=O)c1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.80609477,False
13242,CNc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53670186,False
13243,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41860574,False
13244,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3c(OC)cccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9110146,False
13245,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(CF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9629026,False
13246,Cc1ccc([N+](=O)[O-])cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45894632,False
13247,Cc1ccc2cc(CN3CCN(c4cccc(Cl)c4)C3=O)sc2n1,[*]N1CCN([*])C1=O,0.3574592,False
13248,Cc1cccc(N2CCN(CCN3CCC(=O)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8008366,False
13249,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1ccccc1Oc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48225206,False
13250,O=C(NCC=CCN1CCN(c2ccc(-c3ccncn3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48657998,False
13251,O=C1N(CC2CCCCC2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.40802157,False
13252,O=C1N(CCN2CCCC3CC(c4ccccc4)C32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.71367866,False
13253,O=C1N(CCN2CCOCO2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.4089791,False
13254,O=C1N(CCN2CCc3occc3C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6775672,False
13255,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.91557765,False
13256,O=C1N(CCN2Cc3ccccc3C2)CCN1c1coc(-c2ccccc2Cl)n1,[*]N1CCN([*])C1=O,0.7356735,False
13257,C=C(C)c1cccc2c1OCC(N(CCCC)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.39934534,False
13258,CCc1ccc(OC)c(C(=O)NCC2CCCN2SO)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22848329,False
13259,CCc1cccc2c1OCC(N(CC(C)C)c1ccc(C)o1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.38551897,False
13260,CN(C)c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82266575,False
13261,CN(CN1CCN(c2ccc3sccc3c2)C1=O)CC12CCCC(CCC1)C2(C)C,[*]N1CCN([*])C1=O,0.44388038,False
13262,CN1CCN(CCN2CCN(c3ccc4sccc4c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.64014804,False
13263,COc1c(C(=O)NCCN2CCN(c3c(C)cccc3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8647892,False
13264,COc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c(OC)c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85336906,False
13265,COc1ccc(-c2cc[nH]c2C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8836053,False
13266,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88625854,False
13267,COc1cccc(-c2csc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87212443,False
13268,COc1ccccc1C(=O)NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4447075,False
13269,COc1ccccc1N1CCN(CC=CCNC(=O)c2c(F)cccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7915936,False
13270,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Br)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9618688,False
13271,O=C(NCC=CCN1CCN(c2ccc(-c3ccc[nH]3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47277015,False
13272,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccccn2)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88243496,False
13273,O=C(NCC=CCN1CCN(c2cccc(F)c2F)CC1)c1ccc(-c2ccccc2Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78713626,False
13274,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cnc(O)[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96056914,False
13275,O=C1N(CC2CCC(c3ccccc3)CN2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.38343266,False
13276,O=C1N(CCCn2ccc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6193487,False
13277,O=C1N(CCN2CCCCCCC2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.8073436,False
13278,O=C1N(CCN2CCCCCCC2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.87479854,False
13279,O=C1N(CCN2CCCc3occc3C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.63396955,False
13280,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccccc1-c1cccs1,[*]N1CCN([*])C1=O,0.79255956,False
13281,O=C1N(Cc2ccc3c(c2)CNCC3)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.38888308,False
13282,O=Cc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8035899,False
13283,C=Cc1cccc2c1OCC(N(CCCC)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5239859,False
13284,CC1CCC(CN2CCN(c3ccccc3)C2=O)N(C)C1,[*]N1CCN([*])C1=O,0.478694,False
13285,CCCCN(CC)C1COc2c(cccc2OCc2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6034193,False
13286,CCCCN(CCC)C1COc2c(Cc3ccc(F)cc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6387687,False
13287,CCCCc1cccc2c1OCC(N(CC)Cc1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.56935513,False
13288,CCCN(CC)CN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.3551393,False
13289,CCCN(CO)C1COc2c(cccc2C23CCC(CC2)N(CCC)C(=O)C3)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5181282,False
13290,CCCc1ccc(OC)c(C(=O)NCC2CCCN2C)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.28455397,False
13291,CCN1CCC(N2CCN(c3cccc(Cl)c3)C2=O)NC1,[*]N1CCN([*])C1=O,0.51947707,False
13292,CCOc1c(C)ccc(Br)c1C(=O)NCC1CCCN1SC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19542077,False
13293,COCCN1CCN(CCN2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.6115619,False
13294,COc1ccc(N2CCN(CC=CCNC(=O)c3c(Cl)ccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38882467,False
13295,COc1ccc(OC)c(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6426396,False
13296,COc1cccc(-c2c(C(=O)NCCN3CCN(OC(C)=O)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34462678,False
13297,COc1cccc(-c2ccsc2C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41398573,False
13298,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccnc(O)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8063753,False
13299,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3ccc(F)cc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.963013,False
13300,Cc1ccc2c(c1)CN(CCN1CCN(c3csc4ccccc34)C1=O)CC2,[*]N1CCN([*])C1=O,0.5783154,False
13301,O=C(CN1CCN(c2ccccc2)C1=O)N1CCCCCC1,[*]N1CCN([*])C1=O,0.09033764,False
13302,O=C(NCC=CCN1CCN(C2COc3ccccc32)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3769898,False
13303,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccoc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8840582,False
13304,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cccnc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92152375,False
13305,O=C1N(CCN2CCCCC2O)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6190927,False
13306,O=C1N(CN2CC3CCc4ccccc4CC(CC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.62372684,False
13307,CC(C1CCCCC1)N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.25392702,False
13308,CC1(C)CCNCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.43271852,False
13309,CCCCN(O)C1COc2c(cccc2C(C)O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46578723,False
13310,CCOc1c(CCCCl)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14348032,False
13311,CCOc1c(Cl)ccc(SCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19568634,False
13312,CCc1ccc(CC)c(C(=O)NCC2CCCN2Br)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18748058,False
13313,COCC1Cc2ccccc2CC1N1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.48943982,False
13314,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C2CCOCC2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33285555,False
13315,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)o2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3608343,False
13316,COc1cccc(-c2cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)ccc2C)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80788994,False
13317,COc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86008054,False
13318,COc1cccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7985107,False
13319,COc1cccc2cccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7944951,False
13320,COc1ccccc1-c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38261434,False
13321,Cc1cccc(N2CCN(CC3CCCCN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.59409654,False
13322,O=C(NCC=CCN1CCN(NCCc2ccc(F)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28298926,False
13323,O=C(NCC=CCN1CCN(NCc2cccc(F)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2572784,False
13324,O=C(NCC=CCN1CCN(c2ccc(Br)nc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46311447,False
13325,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1)c1cccs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6371662,False
13326,O=C(NCC=CCN1CCN(c2ccc3cc(O)ccc3c2)CC1)c1cccc(Cl)c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48948526,False
13327,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1coc(-c2ccc(Cl)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8557492,False
13328,O=C1N(C#Cc2ccccc2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3864758,False
13329,O=C1N(CCN2CCC3Cc4ccccc4CC2C3)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.5714658,False
13330,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.6807177,False
13331,O=C1N(Cc2cccc(Cl)c2)CCN1C1Cc2ccccc2N1,[*]N1CCN([*])C1=O,0.5001212,False
13332,CC(C)N1CCN(CCN2CCN(C3CCCOC3)C2=O)CC1,[*]N1CCN([*])C1=O,0.4694619,False
13333,CC(C)N1CCN(CCN2CCN(Cc3cccnc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.60517734,False
13334,CC(CC1CCN2CCCC2C1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4783733,False
13335,CC(CN1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.25071093,False
13336,CC1(CN2CCN(c3ccc(Cl)c(F)c3)C2=O)CCNCC1,[*]N1CCN([*])C1=O,0.36414018,False
13337,CC1CCCCC2CN(CCN3CCN(c4cc(F)cc(Cl)c4)C3=O)CC12,[*]N1CCN([*])C1=O,0.5805266,False
13338,CC1CCCCN(CCN2CCN(c3cccc([O-])c3)C2=O)C1,[*]N1CCN([*])C1=O,0.68606794,False
13339,CC1CCCN(CCN2CCN(c3ccccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.73667896,False
13340,CCCCN(CC)C1COc2c(cccc2[N+](=O)[O-])C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39682004,False
13341,CCCc1cccc2c1OCC(N(CCC)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6798424,False
13342,CCN1CCCC1CNC(=O)c1c(C)ccc([SH](C)O)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6659531,False
13343,CCc1cccc2c1OCC(N(CC(C)=O)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.27485037,False
13344,COCC12CCC(CC1CN1CCN(c3ccc(C)cc3)C1=O)C2,[*]N1CCN([*])C1=O,0.23050556,False
13345,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2Cc2ccccc2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37854934,False
13346,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71513474,False
13347,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91170365,False
13348,COc1cccc(N2CCN(CC=CCNC(=O)c3cccc(F)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40126288,False
13349,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc([N+](=O)[O-])ccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4681525,False
13350,Cc1cccc(N2CCN(CC(=O)N3c4ccccc4CC3C)C2=O)c1,[*]N1CCN([*])C1=O,0.28751794,False
13351,Cc1cccc([O-])c1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3178817,False
13352,N#Cc1cccc(N2CCN(CCN3CCN(CC(F)(F)F)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.85455525,False
13353,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(O)n3)cc2)CC1)c1ccc(Cl)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46409744,False
13354,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(Br)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9445885,False
13355,O=C1N(CC2CCCCc3ccccc32)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.65437305,False
13356,O=C1N(CNCC2CCCCC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.22492336,False
13357,CC1(C)C2CCCC1C(CNCCN1CCN(Cc3ccc(F)cc3)C1=O)C2,[*]N1CCN([*])C1=O,0.35606888,False
13358,CC1CCCN(CCN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.6653408,False
13359,CCCCc1ccc(C)c(OCC)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.13992557,False
13360,COc1c(C(=O)NCCN2CCN(c3cccc(N)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.85143423,False
13361,COc1cc(Cl)ccc1-c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.40257022,False
13362,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2ccc(-n3ccnc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46389756,False
13363,COc1ccc(-c2cccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93615294,False
13364,COc1cccc(N2CCN(CNCC34CCCCC3CCC4)C2=O)c1,[*]N1CCN([*])C1=O,0.3171617,False
13365,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(F)cc3)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42093998,False
13366,C[N+]c1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.90856427,False
13367,N#Cc1cc(N2CCN(CN3CCCC(C(F)(F)F)C3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.5324752,False
13368,N#Cc1cccc(CN2CCN(c3ccc4ccccc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.4361228,False
13369,O=C(Cc1ccsc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7796318,False
13370,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccccc2)cc(O)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88460064,False
13371,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cccc(O)c2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.947488,False
13372,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2O)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76734513,False
13373,O=C(NCC=CCN1CCN(c2cccc3c2-c2ccccc2C3O)CC1)c1cccc(F)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6862495,False
13374,O=C(NCC=CCN1CCN(c2ccccc2[N+](=O)F)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8134074,False
13375,O=C1CCCN(CCN2CCN(c3cc4ccccc4s3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6882744,False
13376,O=C1N(CCN2CCN(Cc3cccc(Cl)c3)CC2)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.4956639,False
13377,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.7324841,False
13378,O=C1N(CNCc2cc3ccccc3s2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.32822862,False
13379,O=C1N(Cc2cccc(Cl)c2)CCN1c1ccc2c(c1)Sc1ccccc1C2,[*]N1CCN([*])C1=O,0.4692963,False
13380,O=C1N(Cc2ccccc2)CCN1C1CCOC1,[*]N1CCN([*])C1=O,0.4229612,False
13381,CC1(C)CCC2(CCCCN(CCN3CCN(c4ccccc4Cl)C3=O)C2)C1,[*]N1CCN([*])C1=O,0.4938334,False
13382,CCCc1cccc2c1OCC(N(CCC)c1cnoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5732678,False
13383,CCN(CC)Cc1ccc(C)c(C(=O)NCC2CCCN2O)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15294768,False
13384,CCc1cccc2c1OCC(N(CC(C)C)C(=O)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.18008527,False
13385,CN(C)CC12CCC(CC(C)(CN3CCN(c4cccc(Cl)c4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.52143484,False
13386,CN(Cc1ccccc1Cl)C1CCC(N2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.36257493,False
13387,CNCc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9752332,False
13388,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3861833,False
13389,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccsc3)cn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39302623,False
13390,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c(-c3ccc(F)cc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91054624,False
13391,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3c(OCCF)cccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89941984,False
13392,Cc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c(C)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45872405,False
13393,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8283947,False
13394,O=C(NCC=CCN1CCN(c2cc3ccc(O)cc3[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4159111,False
13395,O=C(NCC=CCN1CCN(c2ccc(-c3ccncc3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5028566,False
13396,O=C(NCC=CCN1CCN(c2ccc(-n3ccnc3)cc2)CC1)c1ccc(Cl)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54031044,False
13397,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)C(=O)c1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8668401,False
13398,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-n2ccnc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78707004,False
13399,O=C(NCC=CCN1CCN(c2cccc([N+](=O)[O-])c2F)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6917936,False
13400,O=C(NCC=CCN1CCN(c2cccc3cc(OCCF)ccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72209275,False
13401,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6637591,False
13402,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(OCCF)c1Oc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8851357,False
13403,O=C1N(CCN2CCCCCC2)CCN1CC1COOC1,[*]N1CCN([*])C1=O,0.45050886,False
13404,O=C1N(CCOCc2csc3ccccc23)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6956721,False
13405,O=C1N(c2cccc(Cl)c2)CCN1C1CCc2ccccc2CC2(CCN2)C1,[*]N1CCN([*])C1=O,0.41704324,False
13406,CC(C)C1ONCCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.71067965,False
13407,CC(C)N1CCN(Cc2ccc3c(c2)CCCCC3O)C1=O,[*]N1CCN([*])C1=O,0.4751537,False
13408,CCCN(CCC)C1COc2c(CO)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7594284,False
13409,CCCN(Cc1ccc(C(=O)OC)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3924249,False
13410,CCc1cccc2c1OCC(N(CC(C)C)C(=O)c1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.25805667,False
13411,CN(CCN1CCN(c2ccccc2)C1=O)CC1CCCC2CC(CC1)C2,[*]N1CCN([*])C1=O,0.57718307,False
13412,COc1c(C(=O)NCCN2CCN(CCc3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.41096264,False
13413,COc1ccc(Br)cc1CC(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79313093,False
13414,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c(OC)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96324575,False
13415,COc1cccc2cc(N3CCN(CC=CCNC(=O)c4cccc(N)c4Cl)CC3)[nH]c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4431107,False
13416,Cc1ccc(O)c(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87683463,False
13417,Cc1cccc(N2CCN(c3cccc4c3CCCC4C)C2=O)c1,[*]N1CCN([*])C1=O,0.26343066,False
13418,Cc1cccc2c1OCC(N(O)CC(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.43159232,False
13419,O=C(NCC=CCN1CCN(c2c[nH]c3ccc(OCCF)cc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52521265,False
13420,O=C(NCC=CCN1CCN(c2cc(-c3ccccc3)on2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4337408,False
13421,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5072414,False
13422,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccccc2O)co1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7293603,False
13423,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(Cl)cs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93479526,False
13424,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(O)cccc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.792089,False
13425,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2c[nH]c(O)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.935361,False
13426,O=C1N(C2CCc3ccccc3C2)CCN1C1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.34792438,False
13427,O=C1N(CCN2CCCC(c3ccccc3)C2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.80723083,False
13428,O=C1N(CCc2ccc(Cl)cc2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.44930306,False
13429,O=C1N(CCn2cccc2)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.47583866,False
13430,O=C1N(Cc2cccc(Cl)c2)CCN1C1CCCN(Cc2ccccc2)C1,[*]N1CCN([*])C1=O,0.4965477,False
13431,O=C1N(Cc2nsc3ccccc23)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.29284438,False
13432,O=C1N(c2ccccn2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.33537757,False
13433,CC(CN1CCN(c2cc(Cl)ccc2F)C1=O)N1CCCCC1,[*]N1CCN([*])C1=O,0.16618666,False
13434,CC1(C)C2CCC1(CN1CCN(c3cccc(Cl)c3)C1=O)CCCN2,[*]N1CCN([*])C1=O,0.56787324,False
13435,CCCN(C1COc2c(cccc2C(C)C)C1)n1ccc(C(F)(F)F)c1,[*]CN([*])C1COc2c([*])cccc2C1,0.55875874,False
13436,CCCN(CCC)C1COc2c(cccc2S(=O)(=O)c2ccc(C(C)(C)C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54070514,False
13437,CCCc1ccc(C)c(OSC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16065766,False
13438,CCN1CCCC1CNC(=O)c1c(CCCF)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.75520873,False
13439,CCOc1c(C)ccc(F)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14116701,False
13440,CCc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39714527,False
13441,CN1CCC2(CCCC(N3CCN(c4cccc(Cl)c4)C3=O)NC2)C1,[*]N1CCN([*])C1=O,0.50456274,False
13442,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.596535,False
13443,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3c(C)cccc3s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8353388,False
13444,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Cl)c(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9494909,False
13445,Cc1cc(CN2CCN(c3ccccn3)C2=O)sn1,[*]N1CCN([*])C1=O,0.14188746,False
13446,Cc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3C#N)CC2)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.639552,False
13447,Cc1cccc(CN2CCN(c3cccc(C#N)c3)C2=O)n1,[*]N1CCN([*])C1=O,0.32840392,False
13448,O=C(NCC=CCN1CCN(c2c(O)cccc2Cl)CC1)c1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49004993,False
13449,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc(-c2ccccc2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9366266,False
13450,O=C(NCC=CCN1CCN(c2cccc(O)n2)CC1)c1cccc(C(F)(F)F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4441836,False
13451,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1cccc(Cl)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6823546,False
13452,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc([N+](=O)[O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79656935,False
13453,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.8839645,False
13454,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.81823945,False
13455,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.7345735,False
13456,O=C1N(CCN2Cc3ccccc3C2)CCN1C(F)(F)c1ccccc1,[*]N1CCN([*])C1=O,0.8288136,False
13457,C=CCN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.484827,False
13458,C=CCc1ccc(Br)c(C(=O)NCC2CCCN2Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24517703,False
13459,CC(C)OC1CCCCc2ccc(CN3CCN(c4cccs4)C3=O)cc21,[*]N1CCN([*])C1=O,0.31937924,False
13460,CC1(C)C2CCC1(CNCN1CCN(c3cccc(C(F)(F)F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.4337576,False
13461,CC1CCN(CCN2CCN(c3cccc(Cl)c3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.8798738,False
13462,CCCCN(O)C1COc2c(CCNC(=O)c3cc4ccccc4[nH]3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3320609,False
13463,CCCN(CCC)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8680306,True
13464,CCCN(c1ccc(C(F)(F)F)cn1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5053184,False
13465,CCCc1cccc2c1OCC(N(CC)Cc1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6457868,False
13466,CCCc1cccc2c1OCC(N(COC)CC1(C(C)=O)CCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.26973173,False
13467,CCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1C(C)=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16632576,False
13468,CCOc1c(C)ccc(Cl)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6462861,False
13469,CN(C)Cc1cc(Cl)cc(N2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.26547804,False
13470,CN1CCN(CCN2CCN(C)C2=O)CC1,[*]N1CCN([*])C1=O,0.5369001,False
13471,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(-c3ccccc3F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.879817,False
13472,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccsn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8975481,False
13473,Cc1ccc(N2CCN(CCN3c4ccccc4CC4CCC3CC4)C2=O)cc1,[*]N1CCN([*])C1=O,0.5305021,False
13474,O=C(NCC=CCN1CCN(C=Cc2ccccc2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31652054,False
13475,O=C(NCC=CCN1CCN(c2cc3cc(OCCF)ccc3[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42093015,False
13476,O=C1N(CCN2CC3CCCCC2Cc2ccccc2C3)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.51350594,False
13477,O=C1N(CCN2CCCC(c3ccccc3)C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.81348664,False
13478,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.84449244,False
13479,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(C(F)F)c1,[*]N1CCN([*])C1=O,0.88071465,False
13480,O=C1N(CCOC2CCCc3ccccc32)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.63738364,False
13481,O=C1N(c2ccc(OCC3CCCCN3)cc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4643588,False
13482,CC(C)CN1CCN(c2cccc(C(C)C)c2)C1=O,[*]N1CCN([*])C1=O,0.37732717,False
13483,CC1CC2=CC=CC=CCC2NC(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.455203,False
13484,CC1Cc2ccccc2CC2C(CCN2CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.58434165,False
13485,CCCN(CCC)C1COc2c(cccc2C(=O)OCc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52823395,False
13486,CCCN(CCC)C1COc2c(cccc2Oc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7799102,False
13487,CCN1Cc2ccccc2C1CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5511121,False
13488,CCOc1cc(Cl)ccc1CN1CCN(C2Cc3ccccc3N2)C1=O,[*]N1CCN([*])C1=O,0.44832233,False
13489,COCC1CCCCN1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5436386,False
13490,COc1ccc(C)c(OBr)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16659696,False
13491,COc1cccc2[nH]c(C(=O)NCC=CCN3CCN(c4cccc(F)c4Cl)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8275282,False
13492,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(C(=O)c3ccccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39699486,False
13493,Cc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8903126,False
13494,Cc1cccc(C(C)NCN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3593008,False
13495,Cc1cccc(N2CCN(COCCF)C2=O)c1,[*]N1CCN([*])C1=O,0.38914126,False
13496,N#CCOc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8866949,False
13497,Nc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3C(F)CF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79607326,False
13498,O=C(CNCc1ccccc1)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7539658,False
13499,O=C(COCCF)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7291041,False
13500,O=C(NCC=CCN1CCN(c2cc(-c3ccc(O)cc3)c[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5338032,False
13501,O=C(NCC=CCN1CCN(c2ccc(OCCF)c(O)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45822942,False
13502,O=C(NCC=CCN1CCN(c2ccc3cccnc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5083136,False
13503,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cnc[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8532294,False
13504,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(O)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8623941,False
13505,O=C1N(CCN2CC(Cc3ccccc3)C3CC3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.74294305,False
13506,O=C1N(CCN2CCCCC(c3ccc(Cl)cc3)C2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.48503092,False
13507,O=C1N(c2ccc(Cl)cc2F)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.24652256,False
13508,CC(=O)N(CC(C)C)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.36093485,False
13509,CC(C)Oc1cccc(N2CCN(c3cccc(C#N)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.23481642,False
13510,CC(C)c1cccc(N2CCN(c3ccc4c(c3)N(C)CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.39645317,False
13511,CCC1CC(C)(C)C2CCCC2N1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.74345756,False
13512,CCCCN(CCC)C1COc2c(cccc2-c2ccc(C#N)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.75286835,False
13513,CCCc1cccc2c1OCC(N(CC)CC(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6000895,False
13514,CCN1CCCC(CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5809067,False
13515,CCOC1CCCc2ccc(N3CCN(c4cccc(OC)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.42683434,False
13516,CCON1CCCC1CNC(=O)c1c(CC)ccc(C)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14680326,False
13517,COCC1C2CCC(C2)CC1CN1CCN(c2cccnc2)C1=O,[*]N1CCN([*])C1=O,0.34448174,False
13518,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(Cl)c([N+](=O)[O-])c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.32046297,False
13519,COc1ccc(C)c(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8500991,False
13520,COc1ccc(N2CCN(C3CCNCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.28559896,False
13521,COc1cccc(C(=O)NCC=CCN2CCN(c3cc[nH]c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46988508,False
13522,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c3c(F)cccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79261684,False
13523,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccn(-c3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82038045,False
13524,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2c[nH]cn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.884458,False
13525,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccs2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9623749,False
13526,O=C1N(CC2CCCCCN2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.34143284,False
13527,O=C1N(CCCN2C3CCCCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.67209995,False
13528,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.814819,False
13529,O=C1N(CCN2Cc3ccccc3C2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.75767756,False
13530,O=C1N(c2cccc(Cl)c2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.4046099,False
13531,O=C1N(c2ccccn2)CCN1C1CCc2ccsc2CC1,[*]N1CCN([*])C1=O,0.39380437,False
13532,CCCN(C(C)C)C1COc2c(cccc2OCc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7549997,False
13533,CCc1ccc(C)c(C(=O)NCC2CCCN2CSC)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.48462188,False
13534,CCc1ccc(C)c(OBr)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14108442,False
13535,CCc1ccc(Cl)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9095317,False
13536,CCc1ccc(OC)c(OBr)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23866902,False
13537,CN1CC2(CN3CCN(Cc4ccc(Cl)cc4)C3=O)CCC1CC2(C)C,[*]N1CCN([*])C1=O,0.31641644,False
13538,CN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3328122,False
13539,COc1ccc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)cc1C,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33747193,False
13540,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3SC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38365123,False
13541,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccnc3F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89772433,False
13542,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-n3cccc3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90157366,False
13543,Cc1ccc(N2CCN(CN3CCN(Cc4csc5ccccc45)CC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.46296546,False
13544,Cc1ccccc1CN1CCN(C2CCCCC2)C1=O,[*]N1CCN([*])C1=O,0.2858848,False
13545,O=C(Cc1cccc(Cl)c1)NCCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.24302875,False
13546,O=C(NCC=CCN1CCN(c2c(O)cccc2OCCF)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42660955,False
13547,O=C(NCC=CCN1CCN(c2c[nH]c3c(=O)ccccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49284875,False
13548,O=C(NCC=CCN1CCN(c2ccc(F)cc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54929876,False
13549,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1c(F)cccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40774333,False
13550,O=C(NCC=CCN1CCN(c2ccc3cccnc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51536757,False
13551,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cccccc-2c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92306906,False
13552,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(OCCF)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91130996,False
13553,O=C(NCC=CCN1CCN(c2ccnc(-c3ccccc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43848377,False
13554,O=C1N(CCN2CCC(OCc3cccc(Cl)c3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.79049397,False
13555,O=C1N(COCC2CCCCC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.42913413,False
13556,O=C1N(Cc2ccccn2)CCN1c1ccc2c(c1)OCC2,[*]N1CCN([*])C1=O,0.30280682,False
13557,CC(=O)N1CCc2ccc(CN3CCN(c4ccccc4)C3=O)cc21,[*]N1CCN([*])C1=O,0.17097533,False
13558,CC(C)c1c(N2CCN(CCN3Cc4ccccc4C3)C2=O)sc2ccccc12,[*]N1CCN([*])C1=O,0.8328521,False
13559,CC(C)c1sc2ccccc2c1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.80916226,False
13560,CC1(C)C2CCCC1(CN1CCN(c3cccc(F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.45385996,False
13561,CCCN(CCCc1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71813303,False
13562,CCCc1cccc2c1OCC(N(CC)Cc1ccc(C=O)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5224584,False
13563,COc1c(C)cccc1C(=O)NCC=CCN1CCN(c2ccc(CCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35202038,False
13564,COc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(OC)c1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93598425,False
13565,COc1cc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cc(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78721905,False
13566,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2ccc(F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52264845,False
13567,COc1cc(OC)c(OC)c(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9625871,False
13568,COc1cc2cccc(O)c2cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.629593,False
13569,COc1cc2ccccc2cc1C(=O)NCC=CCN1CCN(c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96280223,False
13570,COc1ccc2c(c1)CCc1ccc(cc1N1CCN(CC=CCNC(=O)c3ccccc3OC)CC1)C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5573709,False
13571,COc1cccc(N2CCN(CC3CCN(C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.5790993,False
13572,Cn1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.940804,False
13573,N#Cc1cc(CN2CCN(CC(F)(F)F)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.2727065,False
13574,O=C(NCC=CCN1CCN(c2cc3c(cc2O)Cc2ccccc2Nc2ccccc2-3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66151524,False
13575,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41783628,False
13576,O=C(NCC=CCN1CCN(c2cccc(-c3ccccc3)c2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8576002,False
13577,O=C(NCC=CCN1CCN(c2ccsc2)CC1)c1cccc(CF)c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46639633,False
13578,O=C1Cc2cccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c2-c2ccccc21,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87084216,False
13579,O=C1N(CC2CCCCN2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.38750646,False
13580,O=C1N(CC2CCCCN2Cc2ccccc2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.35498163,False
13581,O=C1N(CCc2ccccc2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.4650965,False
13582,O=C1N(CN2CCCC(c3ccccc3Cl)C2)CCN1c1nccs1,[*]N1CCN([*])C1=O,0.43172213,False
13583,O=C1N(Cc2ccc3ccsc3c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.38522673,False
13584,CCCN(CCC)C1COc2c(cccc2C(=O)c2ccno2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6755459,False
13585,CCN(CC(C)C)C1COc2c(cccc2-c2cc(C(=O)O)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.31564134,False
13586,CCN(CC(C)C)C1COc2c(cccc2-c2ccc(C(=O)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3376052,False
13587,CCNOc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9335892,False
13588,CCOc1c(C)ccc(SC)c1C(=O)NCC1CCCN1C=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14332457,False
13589,COc1c(C)ccc(Br)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20358495,False
13590,COc1cc2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9221557,False
13591,COc1ccc(-c2cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9233934,False
13592,COc1ccc(N2CCN(CC=CCNC(=O)c3occc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34451902,False
13593,COc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)cc1Cl,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.89105886,False
13594,COc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3[N+](=O)[O-])CC2)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.73579025,False
13595,COc1ccc2[nH]c(N3CCN(CC=CCNC(=O)c4cccc(OCCF)c4Cl)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40333185,False
13596,COc1cccc(C(C)N2CCN(CCN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.64892,False
13597,COc1ccccc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36014074,False
13598,COc1ccccc1N1CCN(CCN(C)CC23CCC(CC2)C3(C)C)C1=O,[*]N1CCN([*])C1=O,0.6027676,False
13599,O=C(NCC=CCN1CCN(NCc2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.26348883,False
13600,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1cccc(F)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52426946,False
13601,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2cccc(O)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91001385,False
13602,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(-c2ncco2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6143677,False
13603,O=C1N(CC2CCCCN2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.44877657,False
13604,O=C1N(CCN2CCC3CCCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7320699,False
13605,O=C1N(CCN2CCCC(C(F)(F)F)C2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.7494391,False
13606,O=C1N(CN2CCC3CCC(CC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7551099,False
13607,O=C1N(Cc2ccccc2)CCN1c1cccc(C#Cc2ccccc2)c1,[*]N1CCN([*])C1=O,0.390952,False
13608,O=C1N(c2cccc(Cl)c2)CCN1c1ccccc1COCC1CCCCC1,[*]N1CCN([*])C1=O,0.44484007,False
13609,CC(=O)c1ccc2c(c1)CNCC2CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.28111804,False
13610,CCCCN(CC)C1COc2c(cccc2-c2ccc(Cl)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54013973,False
13611,CCCCN(c1ccoc1)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5633416,False
13612,CCCN(O)C1COc2c(Cc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56311274,False
13613,CCCc1cccc2c1OCC(N(CCC)OC(=O)c1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.45122048,False
13614,CCOOc1c(Br)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6562602,False
13615,CCc1ccc(C)c(OO)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18083033,False
13616,CCc1ccc(OC)c(C(=O)NCC2CCCN2[SH](C)(C)=O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2382746,False
13617,CCc1ccc(SC)c(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24508087,False
13618,COCC1CCCN(CN2CCN(c3cccc(OC)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.4961021,False
13619,COc1cc(CO)ccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64245635,False
13620,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3640015,False
13621,COc1ccc(OC)c(C(=O)NCC=CCN2CCN(c3ccc(OCCF)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38328564,False
13622,COc1ccccc1N1CCN(CCN2C3CCCCCC2CC3)C1=O,[*]N1CCN([*])C1=O,0.35802916,False
13623,Cc1ccc(N)cc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34577197,False
13624,Cc1ccc(N2CCN(CC3CCNc4ccccc4C3)C2=O)cn1,[*]N1CCN([*])C1=O,0.50187314,False
13625,Cc1ccc(N2CCN(CCN3CCOCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.40117174,False
13626,O=C(NCC=CCN1CCN(c2ccc(-c3ncc[nH]3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4447857,False
13627,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49619362,False
13628,O=C(NCC=CCN1CCN(c2ccccc2O)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8743279,False
13629,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2ccccc2cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92453545,False
13630,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cccs2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9621077,False
13631,O=C1N(CCc2cc3ccccc3s2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.48417097,False
13632,O=C1N(Cc2cccc(Cl)c2)CCN1c1cccc(C2CCCCC2)c1,[*]N1CCN([*])C1=O,0.4865221,False
13633,O=C1N(c2cccc(Cl)c2)CCN1C1CC(c2ccccc2)CCN1,[*]N1CCN([*])C1=O,0.4379798,False
13634,C=CCOc1c(Br)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16552114,False
13635,CC(OCC1CCCN1)N1CCN(c2ccccc2F)C1=O,[*]N1CCN([*])C1=O,0.30781937,False
13636,CC1(C)CCC(CN2CCN(Cc3cccc(Cl)c3)C2=O)NC1,[*]N1CCN([*])C1=O,0.33234632,False
13637,CCCCN(C1COc2c(cccc2C(C)C)C1)C1CCCC2(CCC(=O)C2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.35669413,False
13638,CCCN(Cc1ccc(C(C)(C)O)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.55423987,False
13639,CCc1ccc(CO)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.86697006,False
13640,CNc1cc(-c2ccccc2)ccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48042974,False
13641,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C(=O)C#N)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.46712935,False
13642,CO[N+](=O)c1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93187577,False
13643,COc1cccc(-c2csc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85989624,False
13644,COc1cccc(N2CCN(CCNCc3ccccn3)C2=O)c1,[*]N1CCN([*])C1=O,0.35107252,False
13645,O=C(CN1CCN(C2CCc3ccc(Cl)cc3C2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.24690224,False
13646,O=C(NCC=CCN1CCN(c2c[nH]c(-c3ccc(Cl)cc3)c2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6007418,False
13647,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5145781,False
13648,O=C(NCC=CCN1CCN(c2cccc(-c3ccccc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46285713,False
13649,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]cc(Cl)c1=O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88618714,False
13650,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2ccc(OCCF)cc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8994257,False
13651,O=C1N(CCN2CCCc3sccc3C2)CCN1CC1CCCOC1,[*]N1CCN([*])C1=O,0.40149274,False
13652,O=C1N(CCN2CCCc3sccc3C2)CCN1Cc1ccccc1F,[*]N1CCN([*])C1=O,0.5714185,False
13653,O=C1N(CCN2CCN(c3cccc(Cl)c3)C2=O)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.6756329,False
13654,O=C1N(CCN2Cc3ccccc3C2)CCN1C1CCOC1,[*]N1CCN([*])C1=O,0.70998,False
13655,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(Cl)ccc1O,[*]N1CCN([*])C1=O,0.78478235,False
13656,O=C1N(CN2CCN(Cc3csc4ccccc34)CC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.52538407,False
13657,CC(C)NCc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.77009326,False
13658,CC(C)OC1CCCc2ccc(N3CCN(c4ccccc4)C3=O)cc21,[*]N1CCN([*])C1=O,0.38651446,False
13659,CC1CC2CCC(C1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.8314733,False
13660,CCCCN(C1CC1)C1COc2c(cccc2-c2ccc(Cl)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48303056,False
13661,CCCCN(CC)C1COc2c(cccc2-c2csc3ccccc23)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45254263,False
13662,CCCCN(O)C1COc2c(cccc2-c2ccc(CC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48161104,False
13663,CCCCN(O)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5216607,False
13664,CCCCN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.37927112,False
13665,CCCN(C(C)C)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6184285,False
13666,CCCc1ccc(CN(CCC)C2COc3c(CC)cccc3C2)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.7111642,False
13667,CCCc1cccc2c1OCC(N(CO)Cc1ccc(F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5505723,False
13668,CCN1CCCC1CNC(=O)c1c(C(C)=O)ccc(SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.83284044,False
13669,CN1CCN(CCOCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6730961,False
13670,COc1ccc(CCF)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88248277,False
13671,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1OCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3888697,False
13672,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3981645,False
13673,COc1cccc(N2CCN(C)C2=O)c1,[*]N1CCN([*])C1=O,0.32281098,False
13674,Cc1cccc(CN2CCN(CCN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.60054225,False
13675,Cc1ccccc1N1CCN(CCNCC2CCCCC2)C1=O,[*]N1CCN([*])C1=O,0.2164394,False
13676,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccsc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4996371,False
13677,O=C(NCC=CCN1CCN(c2ccc3c(c2)CCc2ccccc2-3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49225584,False
13678,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(F)ccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9113781,False
13679,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(Cl)c1CF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7802303,False
13680,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2cc(O)ccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8855204,False
13681,O=C1N(CC(F)(F)F)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.36127853,False
13682,O=C1N(CCN2CCCC(C(F)(F)F)CC2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.87850726,False
13683,C=CCOc1c(C)ccc(CCCCC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1566495,False
13684,CC1(C)CCC2CCC1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.7828357,False
13685,CC1CCC(C)(C)N(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.71951675,False
13686,CCCCN(CC)C1COc2c(cccc2-c2cnoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49231252,False
13687,CCCc1cccc2c1OCC(N(CCC)C(=O)NC(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.40216133,False
13688,CCOc1c(C)ccc(CCSO)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14050022,False
13689,CN(C)Cc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.86095375,False
13690,CN(CN1CCN(c2ccc(Cl)c(Cl)c2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.5781871,False
13691,CN1C2CCC1CC(CN1CCN(Cc3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.45981687,False
13692,COCCN1CCN(C2CCOCC2)C1=O,[*]N1CCN([*])C1=O,0.37079865,False
13693,COc1cc2ccccc2cc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6368316,False
13694,COc1cccc(C(=O)NCC=CCN2CCN(c3c(Cl)ccc(Cl)c3Cl)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39380828,False
13695,COc1cccc2c(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c[nH]c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7963019,False
13696,COc1ccccc1N1CCN(CC=CCNC(=O)C(=O)c2ccc(F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8058535,False
13697,Cc1cccc(-c2c(C(=O)NCCN3CCN(O)CC3)cc(Br)c3ccccc23)c1C,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34939876,False
13698,O=C(NCC=CCN1CCN(c2cc(O)ccc2F)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5954498,False
13699,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(F)cc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47653618,False
13700,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)c1cccc(C(F)(F)F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45568293,False
13701,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1cccc(O)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5662346,False
13702,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1cc(Br)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50025386,False
13703,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc2ccccc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81438696,False
13704,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccnc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.80953145,False
13705,O=C1N(CCNC2CCc3ccsc3CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5755802,False
13706,O=C1N(CCNCc2cccc3ccccc23)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.4128139,False
13707,CC(C)c1cccc(N2CCN(Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.34325853,False
13708,CC1CCNC(CN2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.44049162,False
13709,CCN(Cc1ccc(C(F)(F)F)cc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.546202,False
13710,CCc1ccc(SC)c(C(=O)NCC2CCCN2C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2607704,False
13711,CNc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5779535,False
13712,COCC1c2ccccc2CN1CCN1CCN(c2coc3ccccc23)C1=O,[*]N1CCN([*])C1=O,0.39533547,False
13713,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cc([O-])cc([N+](=O)[O-])c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.31019762,False
13714,COc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4ccccc4)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39774126,False
13715,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc4c(c3)-c3ccccc3C4)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5115558,False
13716,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(C)cn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33516774,False
13717,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(Cl)cc3)cn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9078662,False
13718,Cc1ccc(N2CCN(CC=CCNC(=O)c3cccc(OCCF)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33015248,False
13719,N#Cc1cc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.87784106,True
13720,N#Cc1cccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1Cl,[*]N1CCN([*])C1=O,0.9068614,False
13721,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(O)cc3)cc2)CC1)c1ccc(Cl)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4702548,False
13722,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(O)c2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96178716,False
13723,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(CO)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9721688,False
13724,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cccc(O)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9363452,False
13725,O=C(NCC=CCN1CCN(c2cccnc2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50238174,False
13726,O=C1N(CCN2Cc3ccccc3C2)CCN1c1sccc1-c1ccccc1,[*]N1CCN([*])C1=O,0.8500932,False
13727,O=C1N(CCOC2CCCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.72126085,False
13728,O=C1N(CN2CC3CCC(CC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.69597656,False
13729,O=C1N(c2cccnc2)CCN1C1NCC2CCc3ccccc3CC1CC2,[*]N1CCN([*])C1=O,0.4180213,False
13730,C=CCN1CCCC1CNC(=O)c1c(C)ccc(SC)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.39754173,False
13731,CC(C)Oc1cccc(N2CCN(CCN3CCN(C(C)C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.79103243,False
13732,CC1CCCCN1CCN1CCN(c2ccccn2)C1=O,[*]N1CCN([*])C1=O,0.36023626,False
13733,CCCCN(CCC)C1COc2c(cccc2C(=O)c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.590673,False
13734,CCc1ccc(C)c(OCO)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17715222,False
13735,CN(CN1CCN(c2cccc(Cl)c2)C1=O)CC12CCCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.63315445,False
13736,CN1CCCC1COCCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.76520246,False
13737,COc1c(C(=O)NCCN2CCN(c3cccc(F)c3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.80838096,False
13738,COc1cccc(CN2CCCC(CN3CCN(c4cccc(Cl)c4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.60414326,False
13739,COc1cccc(Cl)c1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(C)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.27827725,False
13740,COc1cccc(N2CCN(CCNCc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.30365887,False
13741,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccnc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9229504,False
13742,Cc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)nc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37525526,False
13743,Cc1ccccc1N1CCN(C2CCCCN2C)C1=O,[*]N1CCN([*])C1=O,0.2548621,False
13744,N[N+](=O)c1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89182127,False
13745,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccc(O)[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86399895,False
13746,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)NC(=O)c1ccc(-c2ccc(O)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85773325,False
13747,O=C1N(CC23CCCCC(C2)N(Cc2ccccc2)C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5586208,False
13748,O=C1N(CC2CCCC3CCc4ccccc4CN32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.46006566,False
13749,O=C1N(CCN2CCCC(Cc3ccccc3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.743055,False
13750,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.7598353,False
13751,O=C1N(Cc2ccc3c(c2)CNCC3)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.3924389,False
13752,O=C1N(Cc2cccs2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.48138314,False
13753,CC(C)N1CCN(CCN2CCCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.67855483,False
13754,CC(C)N1CCN(CCN2CCN(c3ccc4sccc4c3)C2=O)Cc2ccccc21,[*]N1CCN([*])C1=O,0.47295576,False
13755,CC(C)OC1CCCCc2ccc(CN3CCN(c4ccccc4)C3=O)cc21,[*]N1CCN([*])C1=O,0.39764947,False
13756,CC1CCc2ccccc2N1CCN1CCN(c2cc(Cl)ccc2F)C1=O,[*]N1CCN([*])C1=O,0.56826925,False
13757,CCCc1cccc2c1OCC(N(CC)CC(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.39366665,False
13758,CCOCN1CCN(c2cccnc2)C1=O,[*]N1CCN([*])C1=O,0.26184955,False
13759,CCc1ccc(Br)c(OO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22799425,False
13760,CCc1ccc(C(C)=O)c(OBr)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18835674,False
13761,COc1c(C(=O)NCCN2CCN(c3cccc(C)c3N)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8867201,False
13762,COc1cccc(CN2CCN(c3cccc(OC(C)C)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.2863422,False
13763,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(OCCF)cc3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.58020526,False
13764,O=C(NCC=CCN1CCN(c2ccc(-c3cccnc3)cc2)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.621507,False
13765,O=C(NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4518538,False
13766,O=C(NCC=CCN1CCN(c2cccc3c(=O)ccccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7194911,False
13767,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(-c2nccs2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66214365,False
13768,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c[nH]c2cccc(O)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89991415,False
13769,O=C1N(CC2CCN(CCc3cccc(Cl)c3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.75002354,False
13770,O=C1N(CCCN2C3CCCCC2c2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6190606,False
13771,O=C1N(CCN2CC3CCCC2CC3)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.6138583,False
13772,O=C1N(Cc2cccc(Cl)c2)CCN1C1CCN(Cc2cccs2)CC1,[*]N1CCN([*])C1=O,0.65252584,False
13773,O=C1N(Cc2ccccc2)CCN1c1ccc2c(c1)NCCC2,[*]N1CCN([*])C1=O,0.44430488,False
13774,O=C1N(c2cccc(C(F)(F)F)c2)CCN1C1CCCCNC1,[*]N1CCN([*])C1=O,0.24819417,False
13775,O=C1N(c2cccc(Cl)c2)CCN1C1CNCC2Cc3ccccc3CC1C2,[*]N1CCN([*])C1=O,0.46073577,False
13776,CCCN(CCC)C1COc2c(cccc2-c2ccc3cc(F)ccc3c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.709933,False
13777,CCCN(CCC)C1COc2c(cccc2C(=O)c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.61836016,False
13778,CCOc1c(C)ccc(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22301166,False
13779,CCc1cccc2c1OCC(N(CO)CCc1co[s+]c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3972215,False
13780,CN1CCCCC(CN2CCN(Cc3ccc(Cl)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.37680024,False
13781,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6892564,False
13782,COc1cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)ccc1-c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43736964,False
13783,COc1cccc(N2CCN(CCN3CCC(CF)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.86266196,False
13784,COc1cccc2c1-c1ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85047436,False
13785,COc1ccccc1C(=O)NCC=CCN1CCN(c2ncccc2-c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3705243,False
13786,COc1ccccc1C=CC(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7667884,False
13787,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(O)[nH]3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96256286,False
13788,Cc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37583846,False
13789,Cc1cccc(N2CCN(CCN3CCCC(c4ccccc4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.75792134,False
13790,O=C(NCC=CCN1CCN(C=Cc2ccccc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32520458,False
13791,O=C(NCC=CCN1CCN(c2cc3nc(O)ccc3[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42728,False
13792,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91349334,False
13793,O=C1N(CCN2CCCC(c3ccccc3)C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.7695457,False
13794,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc([N+](F)(F)F)c1,[*]N1CCN([*])C1=O,0.8229886,False
13795,O=C1N(CCNCC2CCCCC2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.26929536,False
13796,O=C1N(CCOCC2CCCNC2)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.33783013,False
13797,O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1Cc1ccc2ccccc2n1,[*]N1CCN([*])C1=O,0.31749937,False
13798,O=C1N(c2cc(Cl)ccc2F)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.26299223,False
13799,O=C1N(c2cccc(Cl)c2)CCN1C1CCCC(c2ccccc2)C1,[*]N1CCN([*])C1=O,0.38471705,False
13800,O=C1N(c2ccccc2)CCN1c1ccc(CN2CCC(C(F)(F)F)CC2)cc1,[*]N1CCN([*])C1=O,0.8001987,False
13801,C#Cc1cccc(CN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.35869375,False
13802,CC1(CN2CCN(c3cccc(Cl)c3)C2=O)CC2CC(C1)C(C)(C)C2,[*]N1CCN([*])C1=O,0.53624916,False
13803,CC1CCN(CCN2CCN(CCOc3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7777831,False
13804,CCCCN(C1CCC(CCC)CC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5400618,False
13805,CCCCN(CC)C1COc2c(cccc2Oc2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.60662997,False
13806,CCCN(CCC)C1COc2c(Cc3ccc(OC)cc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7553981,False
13807,CCCN(COC(F)(F)F)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6399336,False
13808,CCCc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8839064,False
13809,CCN1CCCC1CNC(=O)c1c(C)ccc(CCCS)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6490923,False
13810,CN1C=CC=CC=C1C(=O)N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.17246847,False
13811,COc1ccc(CN2CCN(c3cccc(Cl)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.47289252,False
13812,COc1ccc2c(c1)CC(C(=O)NCC=CCN1CCN(c3cccc(Cl)c3Cl)CC1)CC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7747959,False
13813,COc1cccc(N2CCN(C3COc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.47764027,False
13814,COc1ccccc1C(=O)NCC(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85859036,False
13815,COc1ccccc1N1CCN(CC=CCNC(=O)C(=O)c2ccc(-c3ccccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84464705,False
13816,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C)cc2N)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90205824,False
13817,Cc1cncc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3920279,False
13818,N#Cc1cccc(N2CCN(CN3CCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.74810016,False
13819,O=C(NCC=CCN1CCN(c2ccc(F)cc2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66979253,False
13820,O=C(NCC=CCN1CCN(c2cccc(Oc3cccc(F)c3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.473821,False
13821,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(-c2ccccc2F)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78070164,False
13822,O=C(NCC=CCN1CCN(c2sc3ccccc3c2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4463501,False
13823,O=C1N(CCN2CCN(CC(F)(F)F)CC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.71628135,False
13824,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)-c1ccccc1C2,[*]N1CCN([*])C1=O,0.84492636,False
13825,O=C1N(CNCc2cccc3sccc23)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.2292943,False
13826,O=C1N(Cc2cc3ccccc3s2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.30654132,False
13827,CCCCN(CC)C1COc2c(cccc2-c2ccc(C)c(O)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3416066,False
13828,CCCN(CCC)C1COc2c(cccc2-c2ccc(-c3ccccc3)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.86842924,False
13829,CCCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6387512,False
13830,CCCN(Cc1ccoc1)C1COc2c(cccc2SC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6243814,False
13831,CCN(CC(C)C)C1COc2c(cccc2-c2ccc(C(C)(C)C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57502645,False
13832,CCN1CCCC1CNC(=O)c1c(OC)ccc(CCCF)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.87471217,False
13833,CCOc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8840545,False
13834,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Br)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39034507,False
13835,CN(CCN1CCN(c2ccccc2)C1=O)CC1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.5842977,False
13836,CN1CCCCC1CN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.4197554,False
13837,COCC1C(CN2CCN(c3cccc(Cl)c3)C2=O)CC2CNCC21,[*]N1CCN([*])C1=O,0.52909636,False
13838,COc1cc(-c2cccs2)ccc1C(=O)NCC=CCN1CCN(c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88520294,False
13839,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)s2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43337905,False
13840,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(F)cc3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43679684,False
13841,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(N(C)C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39806122,False
13842,Cc1ccc(N2CCN(CCN3CCc4ccccc43)C2=O)cc1,[*]N1CCN([*])C1=O,0.5064594,False
13843,Nc1cc(Cl)ccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8851348,False
13844,O=C(NCC=CCN1CCN(C(=O)NCc2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.21744977,False
13845,O=C1N(CC(=O)N2CCCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.15908597,False
13846,O=C1N(CC2CCCN3CCCCC23)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.4203137,False
13847,O=C1N(CCN2Cc3ccccc3C2)CCN1CC1CCCOC1,[*]N1CCN([*])C1=O,0.6093256,False
13848,O=C1N(CCOCC2CCCNC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7035097,False
13849,O=C1N(CNCc2cc3ccccc3s2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3907168,False
13850,O=C1N(Cc2ccccc2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.473051,False
13851,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.188909,False
13852,C#Cc1cccc(CNCCN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.39512798,False
13853,CC(C)(C)c1ccc(N2CCN(CCN3CCCCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.73385185,False
13854,CCCCN(C(C)=O)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.31930044,False
13855,CCCCN1CCCC1CNC(=O)c1c(O)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.53673977,False
13856,CCCN(C(C)C)C1COc2c(CC(=O)c3ccoc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.35824996,False
13857,CCCN(CCC)C1COc2c(cccc2-c2ccc(C(F)(F)F)o2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7929129,False
13858,CCCc1cccc2c1OCC(N(CCC)c1ccc(Br)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.64690983,False
13859,CCN(C(C)C)C1COc2c(cccc2C(=O)c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.26383063,False
13860,CCc1ccc(OC)c(OCCCl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2904752,False
13861,CCc1cccc2c1OCC(N(CC)Cc1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.48247844,False
13862,COCCN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.48789516,False
13863,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)[nH]2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37554678,False
13864,COc1ccccc1CN1CCN(CN2CCN(Cc3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.49897715,False
13865,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Cl)c(N)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.924945,False
13866,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Oc3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8974825,False
13867,Cc1ccc(N2CCN(CCN3CCCc4sccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.6008949,False
13868,N#Cc1ccc2c(c1)N(CN1CCN(c3cccc(C(F)(F)F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.42988682,False
13869,O=C(NCC=CCN1CCN(c2ccc(-n3cccn3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5122363,False
13870,O=C(NCC=CCN1CCN(c2ccc(C(F)(F)F)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4735997,False
13871,O=C(NCC=CCN1CCN(c2ccc(CF)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46228454,False
13872,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2cccc(O)n2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91982263,False
13873,O=C(NCC=CCN1CCN(c2cccc3c2Cc2ccccc2C3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73405594,False
13874,O=C1N(CC=Cc2ccccc2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.3287882,False
13875,O=C1N(CCF)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.8805078,False
13876,O=C1N(CCN2CC3CCCC2Cc2ccccc2C3)CCN1c1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.5476389,False
13877,CCCCN(c1ccc(Cl)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46878415,False
13878,CCCCc1ccc(CC)c(OC)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20571646,False
13879,CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.68403393,False
13880,CCCN(Cc1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6919695,False
13881,CCCc1cccc2c1OCC(N(CC)CBr)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.63818777,False
13882,CCCc1cccc2c1OCC(N(CCC)Cc1ccc(O)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6920648,False
13883,CCN(CC(C)C)C1COc2c(Cc3ccc(OC)cc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.50553256,False
13884,CCNCCN1CCN(c2cccc([N+](=O)[O-])c2)C1=O,[*]N1CCN([*])C1=O,0.41060302,False
13885,COCC1C2CCC1CN(CCN1CCN(c3cc(Cl)cc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.6452101,False
13886,COc1c(C(=O)NCCN2CCN(c3cccc(C=O)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.73310405,False
13887,COc1c(C(=O)NCCN2CCN(c3ccccc3[N+](C)=O)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.81894463,False
13888,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cncc(-c3ccc(F)cc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6407806,False
13889,COc1ccc(COCN2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.24355398,False
13890,COc1cccc(CN2CCN(c3cccc(C#N)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.44906136,False
13891,Cc1nc2cc(N3CCN(CCN4Cc5ccccc5C4)C3=O)ccc2s1,[*]N1CCN([*])C1=O,0.8900113,True
13892,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccn2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8831136,False
13893,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(O)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9621967,False
13894,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc([N+](=O)[O-])c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.851042,False
13895,O=C1C=CC=C(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)C=CC2=C1C=CC=C[N+]2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32477742,False
13896,O=C1N(C[N+]2CCCCNC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4114329,False
13897,O=C1N(Cc2ccccc2)CCN1C1CCc2ccoc2C1,[*]N1CCN([*])C1=O,0.46932638,False
13898,O=C1N(c2ccccc2)CCN1C1CCc2ccccc2O1,[*]N1CCN([*])C1=O,0.42835385,False
13899,O=C1N(c2ccccc2)CCN1c1cc(-c2ccccc2Cl)ccn1,[*]N1CCN([*])C1=O,0.23492077,False
13900,CC(C)c1ccc(N2CCN(CC3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.4739131,False
13901,CCC1c2ccccc2CN1CCN1CCN(c2csc3ccccc23)C1=O,[*]N1CCN([*])C1=O,0.6071593,False
13902,CCCOc1c(CC)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6711333,False
13903,CCN(C)Cc1cccc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.421891,False
13904,CCN1CCCC1CNC(=O)c1c(C)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8898737,False
13905,CCOc1c(C)ccc(C)c1C(=O)NCC1CCCN1CCCF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.36492473,False
13906,COC(CN1CCN(c2cccc(Cl)c2)C1=O)C1CCCNC1,[*]N1CCN([*])C1=O,0.5407166,False
13907,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2OCc2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37128735,False
13908,COc1c(C(=O)NCCN2CCN(c3cccc4c3OCCO4)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8893457,False
13909,COc1ccc(C(=O)NCC=CCN2CCN(c3cc(Cl)ccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41378635,False
13910,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3)CC2)c(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48871118,False
13911,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc4[nH]ccc4c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36366922,False
13912,COc1cccc(N2CCN(C=CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.377895,False
13913,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cnccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43150425,False
13914,COc1ncccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(C)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68209517,False
13915,N#CCN1C2CCC(N3CCN(c4cccc(Cl)c4)C3=O)C1CC2,[*]N1CCN([*])C1=O,0.49065837,False
13916,N#Cc1cccc(N2CCN(CC3CCCOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.3838652,False
13917,Nc1c(F)cccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8822051,False
13918,Nc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)ccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48631826,False
13919,Nc1ccc(OCCF)c(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92486453,False
13920,O=C(NCC=CCN1CCN(c2cc(Br)ccc2OCCF)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5673382,False
13921,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1Cc1cccc(O)c1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82996905,False
13922,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1C(=O)NCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93701565,False
13923,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccsc1-c1ccco1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82133025,False
13924,O=C(NCC=CCN1CCN(c2ccccc2O)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77903205,False
13925,O=C1N(CCN2CCCc3sccc3C2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.61584985,False
13926,O=C1N(Cc2cc3ccccc3s2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.46184397,False
13927,C=C(c1cccs1)N(CCCC)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47566596,False
13928,CC(C)NC1CCN(CCN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.59011173,False
13929,CC(C)ON1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28508818,False
13930,CCCCCc1ccc(OC)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.83818215,False
13931,CCCCN(CC)C1COc2c(Cc3ccsc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6133657,False
13932,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35934046,False
13933,CCc1ccc(C)c(C(=O)NCC2CCCN2O)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14958294,False
13934,CCc1ccc(C)c(OC)c1C(=O)NCC1CCCN1SC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25894335,False
13935,CN1CCCCCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.49737993,False
13936,CNC(=O)c1cccc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3629809,False
13937,COc1cc(Br)c(Cl)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85982853,False
13938,COc1cc(OC)cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9597198,False
13939,COc1ccc(C)cc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6089535,False
13940,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43558294,False
13941,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(OCCF)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44649473,False
13942,COc1cccc(C(C)CN2CCN(c3ccc4c(c3)C(NC(C)=O)CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.26471493,False
13943,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(OC)c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71139055,False
13944,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(C)nc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8485336,False
13945,Cc1cccc(N2CCN(CCN(C)Cc3cc4ccccc4s3)C2=O)c1,[*]N1CCN([*])C1=O,0.634672,False
13946,O=C(NCC=CCN1CCN(c2ccc(O)cc2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49773982,False
13947,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc2ccccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87585944,False
13948,O=C1N(CC2CCCCN2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.49340904,False
13949,O=C1N(CC2CCc3occc3C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.51587117,False
13950,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.85452694,False
13951,O=C1N(CCN2CC3CCCC(CC3)C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.7008712,False
13952,CC1(C)Cc2ccccc2N1CCN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5097177,False
13953,CC1CCC2(CN(C)CCN3CCN(c4cccc(Cl)c4)C3=O)CCC(CN2)C1,[*]N1CCN([*])C1=O,0.7488842,False
13954,CCCCN(CC)C1COc2c(cccc2-c2ccon2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5238865,False
13955,CCCN(Cc1cccc(C(C)=O)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46252626,False
13956,CCCN(Cc1ccccc1)C1COc2c(cccc2C2CCCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71143824,False
13957,CCCc1ccc(CC)c(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.31767887,False
13958,CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1SCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18122862,False
13959,CCc1ccc(C)c(C(=O)NCC2CCCN2C)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1602533,False
13960,CCc1ccc(C)c(C(=O)NCC2CCCN2F)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15610124,False
13961,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cscc2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.32354525,False
13962,COc1ccc(-c2csc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4307402,False
13963,COc1ccccc1Oc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37215146,False
13964,CSc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8873722,False
13965,Cc1csc(CN2CCN(C3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.31809583,False
13966,O=C(NCC=CCN1CCN(c2c(Cl)ccc(Cl)c2Cl)CC1)c1ccc(-c2ncccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43169963,False
13967,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2ccc(O)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9322444,False
13968,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc(Cl)c1=O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8213472,False
13969,O=C(NCC=CCN1CCN(c2cccc([N+](=O)[O-])c2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55431825,False
13970,O=C(NCC=CCN1CCN(c2cccc3c2C=CC=Cc2ccccc2C3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46094352,False
13971,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70112246,False
13972,O=C1N(CC2CCC3CCNCC3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.65788347,False
13973,O=C1N(CC2COCOC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5408359,False
13974,O=C1N(CCN2CC3CCC2Cc2ccccc2C3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.6338325,False
13975,O=C1N(CCN2CCCCCC2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.8397795,True
13976,O=C1N(c2cccc(Cl)c2)CCN1C1CCC(c2ccsc2)CC1,[*]N1CCN([*])C1=O,0.40918082,False
13977,CC1(C)CC2CCC(CNCN3CCN(c4cccc(Cl)c4)C3=O)(C2)C1,[*]N1CCN([*])C1=O,0.5185915,False
13978,CC1(CN2CCN(c3cccc(Cl)c3)C2=O)CCC2CC2C1,[*]N1CCN([*])C1=O,0.53763646,False
13979,CCC(C)c1cccc2c1OCC(N(CC)CC(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.32915995,False
13980,CCCCN(CC)C1COc2c(cccc2-c2ccc(C#N)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.55907094,False
13981,CCCN(O)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62121737,False
13982,CCCN(c1cccc(C)c1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48806602,False
13983,CCCc1cccc2c1OCC(N(CO)CCCN1C(=O)CC3(CCC(=O)C3)CC1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5497357,False
13984,CN1CCCCC1N1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.35605013,False
13985,COCC1C2CCC1N(CN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.49874437,False
13986,COc1c(C(=O)NCCN2CCN(c3cccc([N+](C)=O)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8662176,False
13987,COc1cc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)cc([N+](=O)[O-])c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.84544003,False
13988,COc1cc([N+](=O)[O-])ccc1-c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37318897,False
13989,COc1cccc(C(=O)NCC=CCN2CCN(c3cc(Cl)ccc3Cl)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.57856154,False
13990,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(Cl)cc3)cn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45536512,False
13991,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Br)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42176116,False
13992,Cc1ccc(O)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8912186,False
13993,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Cl)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9104108,False
13994,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccncc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.923269,False
13995,O=C1N(CCN2C3CCCCCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7941676,False
13996,O=C1N(CCNC2CCCc3sccc3C2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.42395216,False
13997,O=C1N(Cc2csc3ccccc23)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.38336563,False
13998,O=C1N(c2ccc3c(c2)CNCC3)CCN1C1CCOC1,[*]N1CCN([*])C1=O,0.36385527,False
13999,O=Cc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4082136,False
14000,CC(C)N1CCN(CCN2CCN(c3csc4ccccc34)C2=O)CC1,[*]N1CCN([*])C1=O,0.7269641,False
14001,CC1CC2(CN(C)CN3CCN(Cc4ccccc4)C3=O)CCC1CC2,[*]N1CCN([*])C1=O,0.4237639,False
14002,CC1CCCc2c1cccc2N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.57350546,False
14003,CC1CN(C(=O)CN2CCN(Cc3ccccc3Cl)C2=O)c2ccccc21,[*]N1CCN([*])C1=O,0.21305619,False
14004,CCCCN(CCC)C1COc2c(cccc2-c2cccc(C(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.712894,False
14005,CCCCN(O)C1COc2c(cccc2-c2ccc(C)s2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.36889765,False
14006,CCCCOc1c(CC)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19333676,False
14007,CCN(C)CCN1CCN(c2cc(Cl)ccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.49252304,False
14008,CCOCCN1CCN(C2CCN(Cc3cccc(Cl)c3)CC2)C1=O,[*]N1CCN([*])C1=O,0.62225664,False
14009,CN(C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8718901,False
14010,CN1CCCC(CN2CCN(Cc3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.42894253,False
14011,CN1CCN(CCN2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.76602215,False
14012,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2Cc2ccccc2Cl)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4194296,False
14013,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc3cccc(OC)c3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6609373,False
14014,COc1cccc(CCN2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8077615,False
14015,COc1cccc(N2CCN(Cc3cc(C)co3)C2=O)c1,[*]N1CCN([*])C1=O,0.35059583,False
14016,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9893955,True
14017,Cc1ccc(N2CCN(CCN3CCc4ccsc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.6164203,False
14018,Nc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9226198,False
14019,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)OCC(=O)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9103238,False
14020,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2ccnc(O)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8429752,False
14021,O=C(NCC=CCN1CCN(c2cccc3[nH]ccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7302918,False
14022,O=C1N(CN2CCC(Cc3cccs3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6334281,False
14023,O=C1N(c2cccc(F)c2)CCN1C1CCC(OCc2ccccc2)CC1,[*]N1CCN([*])C1=O,0.39999506,False
14024,CCCCN(CC)C1COc2c(cccc2C(F)(F)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54099864,False
14025,CCCN(CCCN1CCC2(CCCC2)CC1=O)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6018231,False
14026,CCCc1cccc2c1OCC(N(CO)CCNC(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.39047766,False
14027,CCc1cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cs1,[*]N1CCN([*])C1=O,0.8250605,False
14028,CCc1ccc(OC)c(OCCCCF)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.29596353,False
14029,CCc1cccc2c1OCC(N(CC(=O)O)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.28571948,False
14030,CN(CN1CCN(Cc2ccccc2)C1=O)CC12CCCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.50590104,False
14031,CN1CCCc2ccccc2C1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.57977617,False
14032,COc1cc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.872684,False
14033,COc1ccc(-c2coc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3719064,False
14034,COc1ccccc1N(CCC(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6648259,False
14035,Cc1cccc(N2CCN(CCN(C)Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.6397376,False
14036,N#Cc1cccc(N2CCN(CCN3Cc4ccccc4CC4(CCCC4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7772099,False
14037,N#Cc1ccccc1CN1CCN(CC(F)(F)F)C1=O,[*]N1CCN([*])C1=O,0.35323873,False
14038,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1ccc[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5608874,False
14039,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)C(=O)OCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8452001,False
14040,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(CCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94589865,True
14041,O=C1N(CC2CCCCC2)CCN1CC1COCCN1,[*]N1CCN([*])C1=O,0.25050765,False
14042,O=C1N(CN2CCN(Cc3cc4ccccc4s3)CC2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.4548686,False
14043,O=C1N(CNCc2cccc(Cl)c2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.2084503,False
14044,O=C1N(Cc2cc3ccccc3s2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.3196776,False
14045,O=C1N(c2cccc(Cl)c2)CCN1c1ccccc1OCC1CCCCC1,[*]N1CCN([*])C1=O,0.39841247,False
14046,O=C1N(c2ccccc2)CCN1C1COc2ccccc21,[*]N1CCN([*])C1=O,0.28220952,False
14047,O=C1NCCN1CCN1CCN(CCN2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.64846873,False
14048,CC12CCCC(CC1)CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.8393329,False
14049,CCCCN(CCC)C1COc2c(cccc2Oc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6967482,False
14050,CCCCSc1ccc(OC)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8376773,False
14051,CCCN(CO)C1COc2c(Cc3cccs3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56122136,False
14052,CCCOC1CCCc2cc(CN3CCN(c4ccc(F)cc4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.37914535,False
14053,CCN1CCCC1CNC(=O)c1c(Cl)ccc(C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.84248567,False
14054,CN(CC1CCCOC1)CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.3536775,False
14055,COC(NCN1CCN(Cc2cccc(Cl)c2)C1=O)C1CCCCC1,[*]N1CCN([*])C1=O,0.22354868,False
14056,COc1c(C(=O)NCCN2CCN(c3cccc([N+])c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7603807,False
14057,COc1cccc(N2CCN(CCN3CCCCC3C)C2=O)c1,[*]N1CCN([*])C1=O,0.6542079,False
14058,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3c(c2)CCc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44007394,False
14059,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Cl)ccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8883836,False
14060,Cc1cccc(N2CCN(CCN3CC4CCCC3Cc3ccccc3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.5457758,False
14061,Nc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95124793,False
14062,O=C(CNC(=O)c1ccc(O)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.806576,False
14063,O=C(NCC=CCN1CCN(c2cc3cc(O)ccc3[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4376107,False
14064,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9459019,True
14065,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2[nH]ccc2O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9236247,False
14066,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(-c2ccsc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9510695,False
14067,O=C(NCC=CCN1CCN(c2cnc3c(O)cccc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49295312,False
14068,O=C(NCCN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cc(Br)c2ccccc2c1O[O-],[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.76644915,False
14069,CC(C)N1CC(c2ccccc2)CCC(N2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.41560328,False
14070,CC(CN1CCN(c2ccc(Cl)cc2F)C1=O)NC(C)(C)C,[*]N1CCN([*])C1=O,0.18320599,False
14071,CCCN(CC(C)C)C1COc2c(cccc2C(=O)c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.511442,False
14072,CCCc1cccc2c1OCC(N(CC)c1ccc(C(=O)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.29182616,False
14073,CCOc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36201006,False
14074,CCc1cccc2c1OCC(N(CC(C)C)OCc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.43376434,False
14075,CN1CCc2cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)ccc2C1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45361757,False
14076,COCC1CCc2ccc(N3CCN(Cc4ccccc4)C3=O)cc2C1,[*]N1CCN([*])C1=O,0.51213855,False
14077,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([N+](=O)[O-])c2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.28529194,False
14078,CO[N+](=O)c1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91428113,False
14079,COc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9320349,False
14080,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4c(Cl)cccc4Cl)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44944647,False
14081,COc1cccc(N2CCN(Cc3cccc(C#N)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.4429426,False
14082,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(Cl)ccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59557486,False
14083,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c3c(OC)cccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83322775,False
14084,O=C(NCC=CCN1CCN(c2[nH]c(O)cc2-c2ccc(Br)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3212231,False
14085,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80883735,False
14086,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(O)s2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9610003,False
14087,O=C(NCC=CCN1CCN(c2cccc3ccncc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69488156,False
14088,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.860958,False
14089,O=C1N(CCN2CCCCc3sccc3C2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.64813614,False
14090,O=C1N(Cc2cccc(Cl)c2)CCN1C1CCCNCC1,[*]N1CCN([*])C1=O,0.38607287,False
14091,O=C1N(c2ccc(F)c(Cl)c2)CCN1C1CCCCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3197637,False
14092,CCCCN(C(C)C)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4783685,False
14093,CCCCc1ccc(C)c(OCC)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14230129,False
14094,CCCN(CC)C1COc2c(cccc2-c2ccc(-c3ccccc3)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7500008,False
14095,CCCN(CCC)C1COc2c(cccc2-c2ccc([N+](=O)O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6832568,False
14096,CCCN(CCC)C1COc2c(cccc2C(=O)c2coc(-c3ccccc3)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.68141735,False
14097,CCCN(CCC)C1COc2c(cccc2S(=O)(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6968008,False
14098,CCCc1cccc2c1OCC(N(C)CC(=O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.32394624,False
14099,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2NC(=O)c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38649255,False
14100,COc1c(C(=O)NCCN2CCN(c3cccc(CCl)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8295196,False
14101,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(Oc3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71939236,False
14102,COc1ccccc1C(=O)NCC=CCN1CCN(C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30546165,False
14103,COc1ccccc1C(=O)NCC=CCN1CCN(c2c[nH]c3cc(OCCF)ccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5166686,False
14104,COc1ccccc1Oc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34075847,False
14105,N#Cc1ccc2c(c1)C(CN1CCN(c3cc(Cl)cc(Cl)c3)C1=O)NCC2,[*]N1CCN([*])C1=O,0.50952125,False
14106,O=C(CCCc1ccccc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7293923,False
14107,O=C(NCC=CCN1CCN(c2ccc(-c3cccs3)cc2)CC1)c1c(Cl)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4763482,False
14108,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.823687,False
14109,O=C1N(CCN2CCCC3(CCc4ccccc4C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7711291,False
14110,O=C1N(CCN2CCN(c3ccccc3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7945768,False
14111,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.7282606,False
14112,O=C1N(Cc2cccc(Cl)c2)CCN1c1cccc2c1N(Cc1ccccc1)CC2,[*]N1CCN([*])C1=O,0.33161572,False
14113,O=C1N(Cc2ccccc2)CCN1CC1COCCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.35545573,False
14114,O=C1N(c2ccccc2Cl)CCN1C1CCCCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.29861534,False
14115,CC(C)N1CCC(CN2CCN(c3ccc4sccc4c3)C2=O)NC1,[*]N1CCN([*])C1=O,0.33838415,False
14116,CC(C)c1cccc(N2CCN(CCN3CCCc4sccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6881362,False
14117,CCN1CCCC1CN1CCCC1CNC(=O)c1c(OC)ccc(C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.63224274,False
14118,CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1NC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1618639,False
14119,COC(NCc1ccc2ccccc2c1)N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.32246238,False
14120,COc1c(C)ccc(O)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2275621,False
14121,COc1cc(F)cc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8266595,False
14122,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9616536,False
14123,COc1ccc2oc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41313443,False
14124,COc1ccccc1C(=O)NCN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3021958,False
14125,Cc1cccc(C(=O)NCC=CCN2CCN(c3ccc(-c4ccccn4)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3802803,False
14126,Cc1cccc(N2CCN(CC3NCCOC3Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.37909064,False
14127,Cc1cccc(N2CCN(CCNCc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.2950058,False
14128,Cc1csc(N2CCN(Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.28425148,False
14129,O=C(NCC=CCN1CCN(c2ccc3c(c2)-c2ccccc2CC3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5212319,False
14130,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1=C2C=C(OCCF)C=CC=C(C=C1)c1ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7240512,False
14131,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)OCC1c2ccccc2-c2ccccc21,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8983976,False
14132,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cn[nH]c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9729708,False
14133,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1scc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9361847,False
14134,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cccc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7826428,False
14135,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8884743,False
14136,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1cc2ccccn2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49572653,False
14137,O=C1N(CC(F)(F)F)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.34385267,False
14138,O=C1N(CC23CCC2CCCN3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.55151945,False
14139,O=C1N(CCN2CCCOCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5947148,False
14140,O=C1N(COCC2CCc3ccccc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.46194902,False
14141,CC(C)C1CCCCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7099182,False
14142,CC(C)c1ccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.78842485,False
14143,CCCN1CCC(N2CCN(c3ccc(Cl)cc3Cl)C2=O)Cc2ccsc21,[*]N1CCN([*])C1=O,0.39999935,False
14144,CCCOc1c(CCC)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.64498574,False
14145,CCCc1cccc2c1OCC(N(CC)COS(=O)(=O)C(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4878535,False
14146,CCCc1cccc2c1OCC(N(CCC)C(=O)c1ccc(C(C)(C)C)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.33621073,False
14147,CCOc1c(OC)ccc(CCCCF)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27276894,False
14148,CCc1cccc2c1OCC(N(CC(C)C)C(=O)c1ccc(F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.18796806,False
14149,CN(CN1CCN(c2ccc(Cl)cc2)C1=O)CC12CCC(CC1)CC2,[*]N1CCN([*])C1=O,0.48050052,False
14150,COc1ccc(C(=O)NCC=CCN2CCN(c3cc(Cl)ccc3Cl)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45607778,False
14151,COc1ccc(N2CCN(CC=CCNC(=O)c3cc(F)cc(OCCF)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37859422,False
14152,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52876395,False
14153,COc1ccc(OC)c(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35740948,False
14154,COc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8681545,False
14155,COc1ccccc1C(=O)N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.15897003,False
14156,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(F)ccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93439054,False
14157,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C)cn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9131892,False
14158,O=C(NCC=CCN1CCN(N2Cc3ccccc3-c3ccccc3C2=O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3214865,False
14159,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4599142,False
14160,O=C1N(CCN2CC3CCCC2CCc2ccccc2C3)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.49094808,False
14161,O=C1N(CCOc2cccc(Cl)c2)CCN1C12CCC(Cc3ccccc3C1)C2,[*]N1CCN([*])C1=O,0.45181125,False
14162,O=C1N(CCc2ccc(Cl)cc2)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.81536967,False
14163,O=C1N(CCn2cccc2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.63823384,False
14164,O=C1N(Cc2ccc(Cl)cc2)CCN1CC1c2ccccc2CCN1CCO,[*]N1CCN([*])C1=O,0.45888913,False
14165,CC(C)Oc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3612604,False
14166,CC1CCN(CN2CCN(c3ccc(Cl)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.56792766,False
14167,CC1Cc2ccccc2N1C(=O)CN1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.35675696,False
14168,CCCCN(c1occc1C(=O)[O-])C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.30074647,False
14169,CCN(C)CCN1CCN(c2nccs2)C1=O,[*]N1CCN([*])C1=O,0.42722696,False
14170,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1ccncc1,[*]N1CCN([*])C1=O,0.771759,False
14171,CN1CC2CCC(Cc3ccccc31)C(N1CCN(c3ccc(F)cc3)C1=O)NC2,[*]N1CCN([*])C1=O,0.5198521,False
14172,CNc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)ccc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.356834,False
14173,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(C)c2Cl)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.30690846,False
14174,COc1c(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8484257,False
14175,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cn[nH]c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73211855,False
14176,COc1cc(Br)ccc1N1CCN(CC=CCNC(=O)c2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6062967,False
14177,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64786303,False
14178,COc1ccc([N+](=O)[O-])cc1C(=O)NCC=CCN1CCN(c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87417614,False
14179,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9248795,False
14180,COc1ccccc1Oc1ccc(N2CCN(CC=CCNC(=O)c3cccc(OC)c3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34225014,False
14181,Nc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6603195,False
14182,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(F)n3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48045626,False
14183,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(CCF)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9721688,False
14184,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2ccccc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.923553,False
14185,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(Oc2ccccc2OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83494276,False
14186,O=C1N(CC2CCCNC2O)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.46669108,False
14187,O=C1N(Cc2ccc(Cl)cc2)CCN1C1CCCc2ccccc2C1,[*]N1CCN([*])C1=O,0.47495708,False
14188,O=C1N(Cc2ccc(Cl)cc2)CCN1CC1CCCCC1,[*]N1CCN([*])C1=O,0.3831342,False
14189,O=C1N(Cc2ccc(F)cc2)CCN1Cc1ccccn1,[*]N1CCN([*])C1=O,0.2951506,False
14190,CC(C)(C)OC(=O)NC1CCC(N2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.22524983,False
14191,CC12CCC(N(CCN3CCN(c4cccc(Cl)c4)C3=O)C1)C(C)(C)C2,[*]N1CCN([*])C1=O,0.8286644,False
14192,CCCCN(c1ccc(C(F)(F)F)cc1)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54908156,False
14193,CCCN(C(C)C)C1COc2c(cccc2C(C)(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6715336,False
14194,CCCc1cccc2c1OCC(N(CCC)c1ccccc1C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.57066566,False
14195,CCN1CCCC1CNC(=O)c1c(C)ccc(O)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7219692,False
14196,CCOc1c(C)ccc(C)c1C(=O)NCC1CCCN1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.153515,False
14197,COC(=O)N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.24054866,False
14198,COc1cc(N2CCN(CC=CCNC(=O)c3ccc(OCCF)cc3)CC2)c2ccccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56506574,False
14199,COc1ccc2nc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8830318,False
14200,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(C(F)(F)F)c4)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35932475,False
14201,COc1cccc(CNCCN2CCN(c3cc(Cl)ccc3F)C2=O)c1,[*]N1CCN([*])C1=O,0.19575647,False
14202,Cc1ccc(O)c(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60034233,False
14203,Cc1cccc(CN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.31166676,False
14204,N#Cc1cccc(CN2CCN(CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.63778484,False
14205,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(Br)co1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8969817,False
14206,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(S(=O)(=O)c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70377105,False
14207,O=C(NCC=CCN1CCN(c2cccc3c2-c2ccccc2C3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64034534,False
14208,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccnc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93820673,False
14209,O=C(NCCN1CCN([N+](=O)[O-])CC1)c1cc(Br)c2ccccc2c1-c1ccccc1[N+](=O)[O-],[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37650856,False
14210,O=C1N(CCN2CCN(Cc3cc4ccccc4s3)CC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.6356436,False
14211,O=C1N(CCc2ccccc2Cl)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.8227025,False
14212,O=C1N(OCC2CCNC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.40136784,False
14213,CC1CCC2Cc3ccccc3CC1N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.7263455,False
14214,CC1CCCN(CCN2CCN(c3ccc(F)cc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.55744237,False
14215,CCN1CCN(CCc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.40671852,False
14216,CCOc1c(OC)ccc(O)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22354752,False
14217,CN(CC1CCCCC1)CN1CCN(c2ccc3sccc3c2)C1=O,[*]N1CCN([*])C1=O,0.3878878,False
14218,CN1CCc2ccc(N3CCN(c4cccc5c4Cc4ccccc4C5)C3=O)cc21,[*]N1CCN([*])C1=O,0.3915292,False
14219,COCC1CC2CN(C)CC2C1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.64162046,False
14220,COCC1CCCN(CN2CCN(c3ccc4c(c3)OCO4)C2=O)C1,[*]N1CCN([*])C1=O,0.3745534,False
14221,COCC1CCCN(CN2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.44597998,False
14222,COc1cc(C)cc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.79841614,False
14223,COc1cc(OC)cc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42500484,False
14224,COc1ccc2cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)sc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31117412,False
14225,N#Cc1cccc(CNC(=O)CN2CCN(c3ccc4sccc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.14290968,False
14226,O=C(CN1CCN(C2CCCc3ccccc32)C1=O)Nc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.102008715,False
14227,O=C(NCC=CCN1CCN(c2ccc(-c3ccn[nH]3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5043421,False
14228,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(F)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6829856,False
14229,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(-c2ccccc2)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89898866,False
14230,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1csc(-c2ccccc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8815919,False
14231,O=C1N(CC2CCCc3ccccc32)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.59687513,False
14232,O=C1N(CCN2CC3CCCC2CCC3)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.6038294,False
14233,O=C1N(CCN2CC3CCCCCC3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.6594746,False
14234,O=C1N(CCN2CCc3ccccc3C2CF)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.4298405,False
14235,O=C1N(CCN2Cc3ccccc3C2)CCN1C(O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7364452,False
14236,O=C1N(c2ccc(F)c(Cl)c2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.22929952,False
14237,CC(CN1CCN(Cc2ccc(Cl)cc2)C1=O)N1CCCCC1,[*]N1CCN([*])C1=O,0.16683178,False
14238,CC1(C)CC2CCC1(N1CCN(c3ccccc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.38548693,False
14239,CCCCN(C)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52058065,False
14240,CCCCN(CC)C1COc2c(cccc2-c2ccccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46516147,False
14241,CCCOc1ccc(CC)c(OC)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2208595,False
14242,CCCc1ccc(C)c(OO)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17241398,False
14243,CCCc1cccc2c1OCC(N(CC)CCl)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6558995,False
14244,CCCc1cccc2c1OCC(N(CCCN1C(=O)CC(C)(C)CC1=O)CC(=O)OC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.42013153,False
14245,CCCc1cccc2c1OCC(N(O)CC(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5299272,False
14246,CCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OO[O-],[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6423392,False
14247,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccoc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.36893418,False
14248,COc1c(C(=O)NCCN2CCN(c3cc(C)cs3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.79765993,False
14249,COc1ccc(N2CCN(CC3CCN(C(C)C)CC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.3467493,False
14250,COc1cccc(N2CCN(CCc3cc4ccccc4s3)C2=O)c1,[*]N1CCN([*])C1=O,0.54699457,False
14251,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(C=O)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42357478,False
14252,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccn3)c(O)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47070703,False
14253,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63642025,False
14254,Cc1ccccc1CN(C)CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7027135,False
14255,Cc1ccccc1NCCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.41772676,False
14256,O=C(NCC=CCN1CCN(c2c(Cl)ccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(O)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40919822,False
14257,O=C(NCC=CCN1CCN(c2cccc(NCCF)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46344852,False
14258,O=C(NCC=CCN1CCN(c2cccc3c2-c2ccccc2C(O)c2ccccc2C3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5861086,False
14259,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(O)cc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9354689,False
14260,O=C1N(Cc2cccc(Cl)c2)CCN1C1COCCN1,[*]N1CCN([*])C1=O,0.27164888,False
14261,O=C1N(Cc2ccccc2)CCN1CN1CCCC(COc2ccccc2)C1,[*]N1CCN([*])C1=O,0.47266862,False
14262,CC(C)N1CCN(c2cccc(CN(C)C)c2)C1=O,[*]N1CCN([*])C1=O,0.24372968,False
14263,CC(C)Oc1cccc(N2CCN(CC3CCCN4CCCCC34)C2=O)c1,[*]N1CCN([*])C1=O,0.31811473,False
14264,CCCN(CC1CCCC1)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.65982944,False
14265,CCN(CCC(C)C)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47747922,False
14266,CCOCN1CCN(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O,[*]N1CCN([*])C1=O,0.8093456,False
14267,CCc1ccc(Cl)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8659106,False
14268,CN(C)c1cccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85969985,False
14269,CN(CCN1CCN(c2ccc(Cl)cc2)C1=O)CC1CCC2CC2C1(C)C,[*]N1CCN([*])C1=O,0.5897043,False
14270,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC1CCC2C(C1)CC2(C)C,[*]N1CCN([*])C1=O,0.7390768,False
14271,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(C(F)(F)F)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39115712,False
14272,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2[N+](=O)c2ccccc2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34517935,False
14273,COc1c(C(=O)NCCN2CCN(c3ccccc3C[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8524329,False
14274,COc1cccc(N2CCN(C3CCCCN3Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.37026775,False
14275,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(C)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87496984,False
14276,Cc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82393897,False
14277,Cc1ccc(N2CCN(C3CCNC(C)C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.23278247,False
14278,Cc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82749325,False
14279,N#Cc1cccc(N2CCN(c3cccc4c3Cc3ccccc3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.48657084,False
14280,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1)c1ccc(-c2cccc(F)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6999585,False
14281,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(Cl)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6748892,False
14282,O=C1N(CCN2CC3CCCC2Cc2ccccc2C3)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.35214263,False
14283,O=C1N(Cc2ccc3c(c2)C(O)CCCCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4305578,False
14284,O=C1N(c2cccc(Cl)c2)CCN1C1CCCCCC1,[*]N1CCN([*])C1=O,0.39011663,False
14285,CC1CCN(C(F)(F)CN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.3997496,False
14286,CCCCCN(C(=O)c1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.24167636,False
14287,CCCCN(CC)C1COc2c(cccc2-c2cc(C(F)(F)F)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46551314,False
14288,CCCCN(CC)C1COc2c(cccc2-c2ccccc2F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4922056,False
14289,CCCN(CCC)C1COc2c(cccc2-c2ccc(C(F)(F)F)c(O)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.70563483,False
14290,CCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1O[N+](=O)[O-],[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.57728416,False
14291,CCc1ccc(C)c(OSC)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14147247,False
14292,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2CO)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4365242,False
14293,COc1ccc(-c2c(C(=O)NCCN3CCN(c4ccccc4)CC3)cc(Br)c3ccccc23)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7411663,False
14294,COc1ccc(Br)cc1N1CCN(CC=CCNC(=O)c2ccccc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.581664,False
14295,COc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4ccccc4O)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7127424,False
14296,COc1cccc(C(=O)NCC=CCN2CCN(c3cc(Cl)ccc3O)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60838413,False
14297,COc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3[N+](=O)[O-])CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37983105,False
14298,COc1cccc(N2CCN(c3ccc4c(c3)Cc3ccccc3-4)C2=O)c1,[*]N1CCN([*])C1=O,0.35740238,False
14299,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(N)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93570906,False
14300,COc1ccccc1Oc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8460061,False
14301,O=C(NCC=CCN1CCN(c2cc3cc(Cl)ccc3[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45599642,False
14302,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9766324,True
14303,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2)nc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87037057,False
14304,O=C1N(CC2CCCCC2c2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6140976,False
14305,O=C1N(CCN2CCCCC2Cc2ccccc2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.55267984,False
14306,O=C1N(CCN2CCCc3sccc3C2)CCN1c1ccc(Cl)s1,[*]N1CCN([*])C1=O,0.6337957,False
14307,O=C1N(CCNCC2CCC3CC3CC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.30077818,False
14308,O=C1N(CCc2ccc3c(c2)OCO3)CCN1Cc1ccccc1Cl,[*]N1CCN([*])C1=O,0.30162507,False
14309,C=[SH]c1ccc(C)c(C(=O)NCC2CCCN2CC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.68304133,False
14310,CC1(C)CC2(CN3CCN(Cc4cccc(Cl)c4)C3=O)CCC1CC2,[*]N1CCN([*])C1=O,0.30625728,False
14311,CC1CCN(CC(c2ccccc2)N2CCN(c3ccccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.5606632,False
14312,CCCCN(O)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.38112238,False
14313,CCCN(CCC)C1COc2c(cccc2-c2cc(C(F)(F)F)ccn2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7272406,False
14314,CCCOc1c(Br)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.28092346,False
14315,CCOc1c(C)ccc(C)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14480689,False
14316,CCOc1c(C)ccc(CCCCl)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15346411,False
14317,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3ccc(OC)cc3n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30977467,False
14318,CCc1ccc(N(CC)CC)c(C(=O)NCC2CCCN2O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17803179,False
14319,CN(CCN1CCN(c2cccs2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.44945687,False
14320,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccccc3)[nH]c2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53301835,False
14321,Cc1cc(N2CCN(c3cccc(C#N)c3)C2=O)ccc1Cl,[*]N1CCN([*])C1=O,0.27923387,False
14322,Cc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6474189,False
14323,Cc1cccnc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7478096,False
14324,N#Cc1cccc(N2CCN(CC3CCCC(C(F)(F)F)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.5336681,False
14325,Nc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4502178,False
14326,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1oc1ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75843495,False
14327,O=C1N(CC2CCCCN(Cc3cccc(F)c3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.49704945,False
14328,O=C1N(CC2CCN(Cc3cccc(Cl)c3)CC2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.6627817,False
14329,O=C1N(CCN2CCCCCC2)CCN1Cc1ccccc1O,[*]N1CCN([*])C1=O,0.5168195,False
14330,O=C1N(CN2CC3CCC2CC3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.33899888,False
14331,O=C1N(Cc2ccc3ccsc3c2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.27509058,False
14332,O=C1N(c2cccc(Cl)c2)CCN1C1CCCC(C(F)(F)F)C1,[*]N1CCN([*])C1=O,0.439371,False
14333,O=C1N(c2cccc(Cl)c2)CCN1C1CCCCCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.42466512,False
14334,C=CCN(c1ccc(OC)cc1)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4872175,False
14335,CC(C)Oc1ccc(N2CCN(CCNC3CCCCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.35181218,False
14336,CC(C)Oc1cccc(N2CCN(CCN3CCCC(c4ccccc4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.68879503,False
14337,CC1(C)CC2CCC(CNCN3CCN(c4ccc(Cl)cc4)C3=O)(CC2)C1,[*]N1CCN([*])C1=O,0.29015613,False
14338,CCCCOc1c(CO)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24963446,False
14339,CCCN(CCC)C1COc2c(cccc2C(=O)c2ccc(Cl)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.60731256,False
14340,CCCN(CF)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7242151,False
14341,CCCN(c1cccs1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6465045,False
14342,CCOc1c(Br)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25672206,False
14343,COCC1Cc2ccccc2N1CCN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6014045,False
14344,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(C(F)(F)F)c4)CC3)[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39050782,False
14345,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)cc1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3800898,False
14346,COc1ccc(CNC(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79298854,False
14347,COc1ccc(F)c(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6439716,False
14348,Cc1ccc(Oc2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2518832,False
14349,O=C(Cc1ccccc1F)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7628152,False
14350,O=C(NCC=CCN1CCN(OCc2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32440615,False
14351,O=C(NCC=CCN1CCN(c2c(O)cccc2F)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43147516,False
14352,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cncs2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8720682,False
14353,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.98798287,True
14354,O=C1N(CCN2C3CCCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7758266,False
14355,O=C1N(CCN2CC3CCCC2Cc2ccccc23)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.73418546,False
14356,O=C1N(CCN2CCCCC2Cc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.75767225,False
14357,O=C1N(CN2CCCC(COc3ccccc3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.52518153,False
14358,O=C1N(CN2c3ccccc3CC2CO)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.46090397,False
14359,O=C1N(c2ccc(Cl)cc2)CCN1c1ccc2c(c1)-c1ccccc1C2,[*]N1CCN([*])C1=O,0.3361558,False
14360,CC1(C)CCCN(CCN2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.6329937,False
14361,CC12CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC(C)(CC1)C2,[*]N1CCN([*])C1=O,0.85500264,False
14362,CC1CCCCN(CCN2CCN(C)C2=O)C1,[*]N1CCN([*])C1=O,0.4786359,False
14363,CCCN(CCC)C1COc2c(cccc2Oc2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8062122,False
14364,CCCc1cccc2c1OCC(N(CC)CO)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5792495,False
14365,CCN1CNCCC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6605028,False
14366,CCOc1c(Br)ccc(CCCCl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25499898,False
14367,CCOc1ccc(OC)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8868036,False
14368,CN1CC2CCCC1C2CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.67441136,False
14369,CN1CCCCC1CN1CCN(c2cc(Cl)ccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.4633537,False
14370,CN1CCCCCC1CN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.38794062,False
14371,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5178356,False
14372,COc1ccc(Oc2cccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41227162,False
14373,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(C)[nH]3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9013646,False
14374,COc1ccccc1N1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.33632243,False
14375,Cc1ccccc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37569264,False
14376,O=C(F)Cc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41227692,False
14377,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2F)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5637882,False
14378,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1[nH]ccc1-c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8835422,False
14379,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7881435,False
14380,O=C1N(CC(F)(F)F)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.4553219,False
14381,O=C1N(CC2CC3CCCC2N3Cc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.606341,False
14382,O=C1N(CC2CCCCC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.4415114,False
14383,O=C1N(CC2CCCCN2)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.37533876,False
14384,O=C1N(CCN2C3CCCC2CCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8318516,False
14385,O=C1N(CCNCC2CCOCC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.34658322,False
14386,CC(C)COc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8758664,False
14387,CC(C)c1cccc(N2CCN(C3CCCOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.21439524,False
14388,CC12CCC(CN3CCN(c4cccc(Cl)c4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.5218579,False
14389,CCCN(C(C)C)C1COc2c(cccc2-c2cccc(Cl)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5662803,False
14390,CCCN(CO)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.524877,False
14391,CCCc1cccc2c1OCC(N(CO)C1CCCC(=O)C1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.32687762,False
14392,CCN(Cc1ccc(F)cc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5552521,False
14393,CCc1ccc(C)c(OS(N)(=O)=O)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15369377,False
14394,CNc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68023455,False
14395,COc1c(C(=O)NCCN2CCN(c3ccc(C)cc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.80185974,False
14396,COc1cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c2ccccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6332003,False
14397,COc1ccc(C=O)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88394296,False
14398,COc1cccc2c1CCCC2C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7389684,False
14399,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccc(F)cc3)ccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5436616,False
14400,Cc1[nH]ccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8781571,False
14401,NOc1c(C(=O)NCCN2CCN(c3ccccc3Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8671131,False
14402,Nc1cccc(C(=O)NCC=CCN2CCN(CCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40520793,False
14403,O=C(NCC=CCN1CCN(c2ccc(-c3cc[nH]c3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44379327,False
14404,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2cccc(OCF)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8345008,False
14405,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1-c1cccc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9249432,False
14406,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(CO)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67270565,False
14407,O=C(NCC=CCN1CCN(c2ncc[nH]2)CC1)c1cccc(Cl)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47156483,False
14408,O=C1N(CCCc2ccsc2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.51297265,False
14409,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cc(-c2ccccc2)on1,[*]N1CCN([*])C1=O,0.60354465,False
14410,O=C1N(c2cccc(Cl)c2)CCN1C1CCc2sccc2C1O,[*]N1CCN([*])C1=O,0.33140695,False
14411,C=Cc1cccc2c1OCC(N(O)CCCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.52124614,False
14412,CC(C)(C)c1ccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.7379662,False
14413,CC1(C)CC2(C)CCC2(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.5192924,False
14414,CC1CCC2CC(Cc3ccccc31)CN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.73528624,False
14415,CCCCN(CC)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5760447,False
14416,CCCc1cccc2c1OCC(N(CO)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.36112398,False
14417,CN(CCN1CCN(c2cccc(F)c2)C1=O)CC12CCC(Cc3ccccc3C1)C2,[*]N1CCN([*])C1=O,0.59388924,False
14418,CN1CCN(CC2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.3197419,False
14419,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(Cl)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.41241735,False
14420,COc1cc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c2ccccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8351076,False
14421,COc1cc(N2CCN(CC=CCNC(=O)c3ccccn3)CC2)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39376578,False
14422,COc1cccc(CN2CCN(c3ccc4c(c3)CCN(Cc3ccccc3)CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.62394804,False
14423,Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89053434,False
14424,Cc1cccnc1-c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36171263,False
14425,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48414668,False
14426,O=C(NCC=CCN1CCN(c2cc3ccccc3s2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43858466,False
14427,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccc(-c2ccsc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52577937,False
14428,O=C(NCC=CCN1CCN(c2ccc3ccc(OCCF)cc3c2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49261802,False
14429,O=C(NCC=CCN1CCN(c2cccc(-c3ncc[nH]3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49191946,False
14430,O=C1N(CC2CCN3CCCC3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6124155,False
14431,O=C1N(CC2NCCCc3ccccc32)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.6003407,False
14432,O=C1N(CCN2C3CCCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8367233,True
14433,O=C1N(CCN2CCCc3sccc3C2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.6768631,False
14434,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(CO)cc1,[*]N1CCN([*])C1=O,0.74135065,False
14435,O=C1N(Cc2ccccc2)CCN1CC1CCC2Cc3ccccc3CCCN2C1,[*]N1CCN([*])C1=O,0.54822534,False
14436,O=C1N(c2ccccc2)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.3001359,False
14437,CC(C)N1CCN(CCN2CCN(c3cc(F)cc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7758963,False
14438,CC(C)N1CCN(c2cccc(OCC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.19228639,False
14439,CCC(C)CN(CC)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5841448,False
14440,CCCCN(OC(=O)c1ccc(C(F)(F)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.31894132,False
14441,CCN(C)CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.83810365,False
14442,CCN1CCCC1CNC(=O)c1c(OC)ccc(CCl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9495221,False
14443,CCOc1c(CC=O)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25609306,False
14444,CCc1ccc(C)c(OCO)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.68122476,False
14445,CN(C)CC1CCC(N2CCN(c3ccc(Cl)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.35630754,False
14446,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC1CC2CC(C)(C)CCC13CCC23O,[*]N1CCN([*])C1=O,0.5413394,False
14447,CN1CCCCC1N1CCN(c2cccs2)C1=O,[*]N1CCN([*])C1=O,0.26227775,False
14448,COc1c(C(=O)NCCN2CCN(c3cc(Cl)ccc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.72696155,False
14449,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70320857,False
14450,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Br)ccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8369712,False
14451,COc1ccoc1-c1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7557536,False
14452,O=C(NCC=CCN1CCN(c2ccc(-c3ccncc3O)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4813996,False
14453,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1Cc2ccccc2-c2ccccc21,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80762607,False
14454,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1ccc2c(c1)Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5292475,False
14455,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccncc1-c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8727085,False
14456,O=C(NCC=CCN1CCN(c2ccccc2O[N+](=O)[O-])CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80556315,False
14457,O=C(NCC=CCN1CCN(c2sc3ccccc3c2OCCF)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4170961,False
14458,O=C1N(CCN2CCCOCC2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4149421,False
14459,O=C1N(Cc2cccc(Cl)c2)CCN1Cc1ccco1,[*]N1CCN([*])C1=O,0.24438447,False
14460,O=C1N(c2cccc(Cl)c2)CCN1c1ccccc1OCC1CCCC1,[*]N1CCN([*])C1=O,0.40799734,False
14461,CC(C)N1CCN(CCN2CCN(c3cccc(F)c3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.7744257,False
14462,CC1(C)CC2CCC(CN3CCN(Cc4cccc(Cl)c4)C3=O)(C2)C1,[*]N1CCN([*])C1=O,0.3580043,False
14463,CCCCN1CCCC1CNC(=O)c1c(Cl)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5629194,False
14464,CCNC(=O)N1CCCC1CNC(=O)c1c(C)ccc(SC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.12078962,False
14465,CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19380996,False
14466,CN1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8852955,True
14467,CNc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8363217,False
14468,COc1cccc(N2CCN(c3ccc(F)c(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.20670567,False
14469,COc1ccccc1C(=O)NCC=CCN1CCN(CC2c3ccccc3-c3ccccc32)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.326297,False
14470,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(F)cc3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96395177,False
14471,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccnc(-c3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9117002,False
14472,Cc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9060734,False
14473,Cc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)nc1-c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30929205,False
14474,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8721583,False
14475,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(O)c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9228003,False
14476,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc2ccccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67215234,False
14477,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2cc(OCCF)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96479094,False
14478,O=C1N(CC2CCC(NCc3ccccc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.57501197,False
14479,O=C1N(CC2CCCCN(Cc3cccc(Cl)c3)C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.43523115,False
14480,O=C1N(CCF)CCN1C1CCCC2(CCNC2=O)C1,[*]N1CCN([*])C1=O,0.40495536,False
14481,O=C1N(CCNCc2nc3ccccc3s2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.42852896,False
14482,O=C1N(CN2CCC(C(F)(F)F)CC2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.66500187,False
14483,O=C1N(c2cccc(Cl)c2)CCN1C1CCCN2Cc3ccccc3CC12,[*]N1CCN([*])C1=O,0.45284635,False
14484,O=C1N(c2cccc(Cl)c2)CCN1C1NCC2CCC1Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.48537695,False
14485,C=CCN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.47679716,False
14486,CC(C)N1CCc2cc(CN3CCN(c4cccc(Cl)c4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.40559903,False
14487,CC1CCc2ccc(CN3CCN(Cc4ccc(Cl)cc4)C3=O)cc2N1,[*]N1CCN([*])C1=O,0.44253954,False
14488,CCCCc1cccc2c1OCC(N(CCC)c1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5993646,False
14489,CCCc1ccc(C)c(C(=O)NCC2CCCN2Br)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.142343,False
14490,CCON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(C)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.2899482,False
14491,CN1CC2CCC(Cc3ccccc31)C(N1CCN(c3ccccc3)C1=O)NC2,[*]N1CCN([*])C1=O,0.5010278,False
14492,CN1CCCCC1N1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.32012397,False
14493,CO[N+](=O)c1c(C(=O)NCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7007738,False
14494,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40245295,False
14495,COc1cccc(N2CCN(C3CCCNC3)C2=O)c1,[*]N1CCN([*])C1=O,0.2256796,False
14496,Cc1ccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.69300455,False
14497,Cc1cccc(CN2CCN(c3ccc4c(c3)OCO4)C2=O)c1,[*]N1CCN([*])C1=O,0.3285015,False
14498,NC1CCCCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7500683,False
14499,O=C(NCC=CCN1CCN(NCCOc2cccc(Cl)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32683945,False
14500,O=C(NCC=CCN1CCN(OCCc2ccc(O)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2650291,False
14501,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc[nH]n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.839964,False
14502,O=C1N(CC2CNCCC3C(COCc4ccccc4)C23)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.62129354,False
14503,O=C1N(CCN2CCCCc3sccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.61812407,False
14504,O=C1N(CCN2CCN(Cc3cccc(Cl)c3)CC2)CCN1c1ccc2occc2c1,[*]N1CCN([*])C1=O,0.718755,False
14505,O=C1N(CCN2CCc3ccccc3C2)CCN1c1nccs1,[*]N1CCN([*])C1=O,0.7045941,False
14506,O=C1N(Cc2cccc(Cl)c2)CCN1CN1CCC(c2cccc(OC(F)(F)F)c2)CC1,[*]N1CCN([*])C1=O,0.5797076,False
14507,O=C1N(Cc2ccccc2Cl)CCN1C1CCCCNC1,[*]N1CCN([*])C1=O,0.33966035,False
14508,O=C1N(c2ccccc2Cl)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.22586027,False
14509,CC(=O)N1c2ccccc2CCC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.32882917,False
14510,CC(C)c1cccc(N2CCN(Cc3cc4ccccc4s3)C2=O)c1,[*]N1CCN([*])C1=O,0.33265147,False
14511,CC(C1CCC2CNCC2C1)N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.34056637,False
14512,CCCCN(CC)C1COc2c(cccc2C(=O)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3935055,False
14513,CCCCN(O)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.44091934,False
14514,CCCCN(OC)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.55783933,False
14515,CCCN(CC(=O)c1ccncc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40380725,False
14516,CCCc1cccc2c1OCC(N(CCC)Cc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.7271377,False
14517,CN1CCCCC1N1CCN(c2cccc(O)c2)C1=O,[*]N1CCN([*])C1=O,0.33189103,False
14518,CN1CCc2cc(N3CCN(c4ccc5ccccc5c4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.41633216,False
14519,COCCN(C)CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.60521436,False
14520,COCc1ccc2c(c1)C(CN1CCN(c3cccc(OC)c3)C1=O)NCC2,[*]N1CCN([*])C1=O,0.5298268,False
14521,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3N(C)C)CC2)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3326636,False
14522,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(-c3ncccc3Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9101579,False
14523,Cc1cc(CNCN2CCN(c3ccc(F)cc3)C2=O)on1,[*]N1CCN([*])C1=O,0.16015518,False
14524,Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8398855,False
14525,Cc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7422588,False
14526,O=C(CNCc1ccc(O)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.748767,False
14527,O=C(NCC=CCN1CCN(c2cc3ccccc3[nH]2)CC1)c1ccccc1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45430344,False
14528,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)c1cccc(Cl)c1COCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4452563,False
14529,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(N2CCOCC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.731538,False
14530,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc2c1-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7823257,False
14531,O=C1N(CC2CCCCN2)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.43728256,False
14532,O=C1N(CC2COCCN2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.21206775,False
14533,O=C1N(CC2Cc3ccccc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5819649,False
14534,O=C1N(CCN2CCC3Cc4ccccc4CC3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5833676,False
14535,O=C1N(CCN2CCc3ccccc32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.4684378,False
14536,C#CCN1Cc2ccccc2CC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.43642431,False
14537,CC(C)c1cc(Cl)ccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8106814,False
14538,CCCCN(OC)C1COc2c(CCC3(C(C)=O)CCCC3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.34142134,False
14539,CCCCN(c1cc(C(=O)F)co1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.36123633,False
14540,CCCN(CC)C1COc2c(cccc2-c2ccc([N+](=O)[O-])cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53336734,False
14541,CCNCCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.4036441,False
14542,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3Cl)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46703395,False
14543,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(OC)c3OCCF)CC2)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40558207,False
14544,COc1ccc2[nH]c(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81392187,False
14545,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Cl)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91069984,False
14546,Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)o1,[*]N1CCN([*])C1=O,0.59084654,False
14547,Cc1cccc(CN2CCN(CCN3CCc4ccsc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.5658318,False
14548,N#CCOCN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.32156023,False
14549,O=C(NCC=CCN1CCN(c2cc[nH]c2-c2ccc(Cl)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5739684,False
14550,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(F)n3)cc2)CC1)c1ccccc1C(F)(F)F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53596956,False
14551,O=C(NCC=CCN1CCN(c2ccc(-c3ncc[nH]3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50649774,False
14552,O=C(NCC=CCN1CCN(c2ccc3ccc(OCCF)cc3n2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4098854,False
14553,O=C(NCC=CCN1CCN(c2cccc(-c3ccc(F)cc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51093405,False
14554,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(-c2cccc(O)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45921075,False
14555,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(C#Cc2ccc(O)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90869534,False
14556,O=C(NCC=CCN1CCN(c2cnnc(F)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4335899,False
14557,O=C1N(CCN2CCC3CCCC(CC3)C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.7621696,False
14558,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.7421481,False
14559,O=C1N(CCNCC2CCC3CC3CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5130271,False
14560,O=C1N(Cc2cccnc2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.30362025,False
14561,O=C1N(c2cccc(Cl)c2)CCN1C1CCNc2sccc2C1,[*]N1CCN([*])C1=O,0.4922377,False
14562,CC(C)N1CCN(c2cccc3cccc-3c2)C1=O,[*]N1CCN([*])C1=O,0.17716931,False
14563,CCC1C2CCC(CN(C)CCN3CCN(c4cccs4)C3=O)(C2)C1(C)C,[*]N1CCN([*])C1=O,0.47969085,False
14564,CCCN(CC1CC1)C1COc2c(cccc2C(=O)c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5227364,False
14565,CCCc1cccc2c1OCC(N(CCCN1C(=O)CCC3(CCCC3)CC1=O)COC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5523307,False
14566,CN1CC2(C)CC(CN3CCN(Cc4ccccc4)C3=O)CC1CC2(C)C,[*]N1CCN([*])C1=O,0.5108546,False
14567,CN1CCCCC(c2cccc(N3CCN(c4cccc(Cl)c4)C3=O)c2)C1,[*]N1CCN([*])C1=O,0.517046,False
14568,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccn2[N+](=O)[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.30682552,False
14569,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2[N+](C(=O)[O-])c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35637337,False
14570,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccn[nH]3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4447708,False
14571,COc1ccccc1N1CCN(CC=CCNC(=O)C2=Cc3ccccc3C2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8252949,False
14572,COc1ccccc1N1CCN(CC=CCNC(=O)NC(=O)c2ccc(F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9102331,False
14573,COc1ccsc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39351797,False
14574,Cc1ccc([N+](=O)[O-])cc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5211197,False
14575,N#CNc1cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)ccc1Cl,[*]N1CCN([*])C1=O,0.72597206,False
14576,O=C(NCC=CCN1CCN(c2ccc(-n3cc(Cl)cn3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48903203,False
14577,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1cccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5428614,False
14578,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(F)cc2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90958875,False
14579,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1c[nH]c2ccc(O)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46845615,False
14580,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccnc(-c2ccc(F)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7874468,False
14581,O=C1N(CCNCc2ccc(Cl)cc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.500673,False
14582,O=C1N(CCOCc2ccsc2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.47117835,False
14583,O=C1N(Cc2ccccc2Cl)CCN1C1Cc2ccccc2N1,[*]N1CCN([*])C1=O,0.46470392,False
14584,O=C1N(c2cccc(Cl)c2)CCN1C1CC2CCC(Cc3ccccc3)(C2)C1,[*]N1CCN([*])C1=O,0.6036392,False
14585,CC(C)N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.31238458,False
14586,CC(CN1CCN(c2cc(Cl)ccc2Cl)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.35340327,False
14587,CC1CCN(CCN2CCN(Cc3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7570988,False
14588,CCCCN(C)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48321405,False
14589,CCCCN(NC(=O)c1ccsc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.27095106,False
14590,CCCN(C(C)C)C1COc2c(Cc3ccoc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.63329685,False
14591,CCCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18876716,False
14592,CCOc1c(OC)ccc(S(C)(=O)=O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23800689,False
14593,CCc1cccc2c1OCC(N(CC(C)C)OC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4769585,False
14594,CCc1cccc2c1OCC(N(CC)Cc1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.48075163,False
14595,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cc([N+](=O)[O-])cccc2=O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.30184734,False
14596,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([N+](C)[O-])c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.2944157,False
14597,C[N+]c1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8488991,False
14598,Cc1c(O)cccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71303463,False
14599,Cc1c[nH]c(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85252976,False
14600,Cc1ccsc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8915748,False
14601,O=C(CNC(=O)c1ccc([N+](=O)[O-])cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78507525,False
14602,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)cn2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39504182,False
14603,O=C(NCC=CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.375764,False
14604,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(Br)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8611223,False
14605,O=C(NCC=CCN1CCN(c2cccnc2Cl)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65531665,False
14606,O=C1N(CC(F)(F)F)CCN1C1CCCN(Cc2ccccc2)C1,[*]N1CCN([*])C1=O,0.4700532,False
14607,O=C1N(CC2COOC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6094878,False
14608,O=C1N(Cc2cccc(Cl)c2)CCN1C1CCOC1,[*]N1CCN([*])C1=O,0.3698945,False
14609,O=C1N(Cc2cccs2)CCN1Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.36776114,False
14610,O=C1N(c2ccc(F)c(Cl)c2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.3413878,False
14611,C#CC(CN1CCN(c2cccc(Cl)c2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.51865596,False
14612,CC(C)C1CCCCN1CCN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5377723,False
14613,CC(C)C1CNCCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6601592,False
14614,CC(CN1Cc2ccccc2C1)CN1CCN(c2ccc(Cl)cc2Cl)C1=O,[*]N1CCN([*])C1=O,0.61598724,False
14615,CC1(C)C2CCC1(CNCCN1CCN(c3cc(F)cc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.44200107,False
14616,CC12CCC(CC(N3CCN(c4ccccc4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.31903648,False
14617,CC1CC2CCC(CN(C)CN3CCN(c4cccc(Cl)c4)C3=O)(C1)C2,[*]N1CCN([*])C1=O,0.6186067,False
14618,CCCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.48669305,False
14619,CCN1CCCC1CNC(=O)c1c(OC)ccc(CSO)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.88767934,False
14620,CN(CCN1CCN(c2ccc3sccc3c2)C1=O)c1ccccc1,[*]N1CCN([*])C1=O,0.4580667,False
14621,CN1CCCC(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.6899456,False
14622,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ncccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.58064187,False
14623,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3900394,False
14624,COc1ccc([N+](=O)[O-])c(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48447704,False
14625,COc1ccc2c(C)cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.26202887,False
14626,COc1cccc(Cl)c1N1CCN(CC=CCNC(=O)c2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35807195,False
14627,COc1cccc2c1CN(CCN1CCN(c3ccc(Cl)cc3)C1=O)C2,[*]N1CCN([*])C1=O,0.6972324,False
14628,O=C(NCC=CCN1CCN(c2ccc(-c3cccnc3)cc2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5214916,False
14629,O=C(NCC=CCN1CCN(c2ccc3cccc(O)c3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5148905,False
14630,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C(=O)c1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87133074,False
14631,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(COc2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9758348,False
14632,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2cnc(F)o2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90128016,False
14633,O=C1N(CCN2C3CCCCCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7653159,False
14634,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.8490412,False
14635,O=C1N(CCOc2cc(Cl)ccc2Cl)CCN1CC1CCCCN1,[*]N1CCN([*])C1=O,0.34216627,False
14636,C=CN(CC(C)C)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5008159,False
14637,CC(C)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.50549084,False
14638,CC(C)N1CCCCC1CN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.49487978,False
14639,CC(C)c1cccc(N2CCN(c3ccc4c(c3)NCCC4)C2=O)c1,[*]N1CCN([*])C1=O,0.31624207,False
14640,CCCCN(c1cccc(-c2ccccc2)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4866436,False
14641,CCCN(CCC)C1COc2c(cccc2-c2ccc(CC(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8382474,False
14642,CCCN(Cc1ccc([O-])cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.55393857,False
14643,CCCc1cccc2c1OCC(N(CC)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.37421256,False
14644,CCOc1cccc2cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4)CC3)oc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39736128,False
14645,CCc1ccc(Br)c(OSC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21798387,False
14646,CN(C)c1cccc(C(=O)NCC=CCN2CCN(c3ccccn3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45094284,False
14647,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2c(C)cccc2N)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.41799203,False
14648,COc1c(C(=O)NCCN2CCN(c3ccc[s+]3[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7470841,False
14649,COc1cc(-c2ccccc2)ccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64468426,False
14650,COc1cc(F)cc(C(=O)NCC=CCN2CCN(c3ccc(OCCF)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39592174,False
14651,COc1ccc(CCC(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70207065,False
14652,COc1ccc2c(c1)C(N1CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC1)CCC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49176043,False
14653,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93644845,False
14654,COc1cccc(-c2cccc(C(=O)NCC=CCN3CCN(c4ccc[nH]4)CC3)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33411443,False
14655,Cc1ccc(N2CCN(CC3CCCCCN3Cc3ccccc3)C2=O)cc1,[*]N1CCN([*])C1=O,0.27332848,False
14656,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5696547,False
14657,O=C(NCC=CCN1CCN(c2ccccc2COCCF)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85880506,False
14658,O=C1N(CCN2CCCc3ccccc32)CCN1CC1CCOOC1,[*]N1CCN([*])C1=O,0.28063253,False
14659,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.89695704,False
14660,O=C1N(CCNCc2cc3ccccc3s2)CCN1CCc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.29461962,False
14661,CCCCc1cccc2c1OCC(N(CC)Cc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.56715333,False
14662,CCCN(CC(C)=O)C1COc2c(cccc2C(=O)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4843148,False
14663,CCCc1cccc2c1OCC(N(CCC)c1ccc(S(C)(=O)=O)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.42673114,False
14664,CCc1ccc(C)c(C(=O)NCC2CCCN2CCS)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.387893,False
14665,CN(CCN1CCN(c2ccc(Cl)cc2)C1=O)CC1CCC2CCC21,[*]N1CCN([*])C1=O,0.6612988,False
14666,COCC1CCN(CN2CCN(c3ccc(F)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.61781186,False
14667,COc1c(C(=O)NCCN2CCN(C3=CC=C(C)[N+](=O)C=CC=C3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.6971898,False
14668,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4904108,False
14669,COc1cccc(N2CCN(C(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.16348165,False
14670,COc1cccc2[nH]c(C(=O)NCC=CCN3CCN(c4ccccc4)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4237333,False
14671,Cc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89774203,False
14672,Cc1cccc(CN2CCCN(CCN3CCN(c4cc(Cl)ccc4Cl)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.6647637,False
14673,N#Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1F,[*]N1CCN([*])C1=O,0.86111546,False
14674,N#Cc1cccc(N2CCN(Cc3cccc(O)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.43536043,False
14675,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cccc2c1-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6308789,False
14676,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2)cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9142587,False
14677,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cncc([N+](=O)[O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7904473,False
14678,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6748933,False
14679,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(CCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.660167,False
14680,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2cccc(OCCF)c2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8724663,False
14681,O=C1N(CCN2C3CCCCC2CCC3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.41908202,False
14682,O=C1N(CCN2CCN(Cc3cccc(Cl)c3)CC2)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.71761835,False
14683,O=C1N(Cc2ccc3ccccc3c2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.27037337,False
14684,CC(CN1CCN(c2ccccc2)C1=O)NCc1ccccc1,[*]N1CCN([*])C1=O,0.23980363,False
14685,CC1(C)CCCC12CCCCN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.74049073,False
14686,CC1CCC2(CN(C)CCN3CCN(c4cccc(Cl)c4)C3=O)CCCC1C2,[*]N1CCN([*])C1=O,0.681059,False
14687,CCCC1CCC2CCC1N2CCN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4208042,False
14688,CCCOC1CCCc2ccc(CN3CCN(c4cccc(OC)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.42507073,False
14689,CCCc1cccc2c1OCC(N(CC)CCc1cccc(OC)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.60368043,False
14690,CCN(CC1Cc2ccccc2C1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5949791,False
14691,CCN1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.49815387,False
14692,CCOc1c(CC)ccc(C)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1728509,False
14693,CCc1cccc2c1OCC(N(CC)Cc1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4678714,False
14694,CN(Cc1cccc(Cl)c1)CN1CCN(c2ccc3ccccc3c2)C1=O,[*]N1CCN([*])C1=O,0.41652152,False
14695,COCC1CCc2cccc(N3CCN(c4cccc(Cl)c4)C3=O)c2C1,[*]N1CCN([*])C1=O,0.5628253,False
14696,COc1c(O)cccc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87383515,False
14697,COc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c2cc(OC)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8641213,False
14698,COc1ccccc1CN1CCN(CC=CCNC(=O)c2cccc(N)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.29496267,False
14699,Cc1ccccc1CNCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.17343943,False
14700,Nc1cc(OCCF)ccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8716804,False
14701,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(Br)cc3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46307722,False
14702,O=C(NCC=CCN1CCN(c2ccc(-c3nccc(O)n3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4930952,False
14703,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ncc(-c2ccc(Cl)cc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7551313,False
14704,O=C1N(CC2CCc3c(F)cccc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5871746,False
14705,O=C1N(CC2Cc3ccccc3C2)CCN1c1cc(F)c(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.5828766,False
14706,O=C1N(CC2c3ccccc3Cc3ccccc32)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.5144352,False
14707,O=C1N(CCNCc2ccc3sccc3c2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.233269,False
14708,O=C1N(Cc2ccc(Cl)cc2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.28231496,False
14709,O=C1N(c2cccc(Cl)c2)CCN1C1CCN(CCF)CC1,[*]N1CCN([*])C1=O,0.82461154,False
14710,C#Cc1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.45456374,False
14711,C=CN(CCCC)C1COc2c(Cc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49612403,False
14712,CC(C)NC1CCC(CN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.32863465,False
14713,CCCCN(CC)C1COc2c(cccc2Oc2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.605179,False
14714,CCCN(C(C)C)C1COc2c(cccc2-c2ccc(Cl)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.60730135,False
14715,CCCN(CO)C1COc2c(CCC34CC(C)CCCC3CCC4=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43871626,False
14716,CCCc1cccc2c1OCC(N(CC)CC(C)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.56322676,False
14717,CCc1ccc(Cl)c(OCl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23998186,False
14718,CN(CN1CCN(c2cccc(Cl)c2)C1=O)CC12CCCCC(C1)C2(C)C,[*]N1CCN([*])C1=O,0.5941864,False
14719,CN1CCCCCC1CN1CCN(Cc2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.37329304,False
14720,COc1c(C(=O)NCCN2CCN(c3ccc(Cl)cc3[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7301315,False
14721,COc1ccc(C)cc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94395256,False
14722,COc1ccc2cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c(OC)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5747023,False
14723,COc1ccccc1C(=O)NCC=CCN1CCN(CNC(=O)c2ccccc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.26984388,False
14724,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cccc(OCCF)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3814953,False
14725,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc([N+](=O)c3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3824593,False
14726,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95029974,False
14727,N#Cc1ccccc1CN1CCN(c2cccnc2)C1=O,[*]N1CCN([*])C1=O,0.2920715,False
14728,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCC(C(F)(F)F)CC1,[*]N1CCN([*])C1=O,0.25813612,False
14729,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(O)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8829805,False
14730,O=C1N(CCN2CCc3ccccc32)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.53653425,False
14731,O=C1N(CCNC2CCCCC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.4166104,False
14732,O=C1N(CCc2cccc(Cl)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.63657,False
14733,O=C1N(c2cccc(Cl)c2)CCN1C1CCCc2ccsc2C1,[*]N1CCN([*])C1=O,0.46531478,False
14734,O=CC(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.895073,False
14735,C=C(CN(CCC)C1COc2c(CC)cccc2C1)c1ccccc1,[*]CN([*])C1COc2c([*])cccc2C1,0.47200838,False
14736,CC(C)C1CN(C)c2cc(N3CCN(c4ccccc4)C3=O)ccc2[S+]([O-])c2ccccc21,[*]N1CCN([*])C1=O,0.3203621,False
14737,CC(C)N1CCN(Cc2ccc(CN3CCN(c4cccc(C#N)c4)C3=O)cc2)CC1,[*]N1CCN([*])C1=O,0.54762775,False
14738,CC1(C)CC2(C)CCC1CN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7717943,False
14739,CCCc1cccc2c1OCC(N(CC)CC(=O)O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.38384527,False
14740,CCCc1cccc2c1OCC(N(CC)CC(=O)[O-])C2,[*]CN([*])C1COc2c([*])cccc2C1,0.31226423,False
14741,CCCc1cccc2c1OCC(N(CC)Cc1ccncc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5642923,False
14742,CCCc1cccc2c1OCC(N(Cc1cccs1)OC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6440324,False
14743,CCn1ccc(N2CCN(c3ccccc3Cl)C2=O)c1,[*]N1CCN([*])C1=O,0.24610534,False
14744,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2cccc(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52255803,False
14745,COc1ccc(N2CCN(Cc3cc(C)no3)C2=O)cc1,[*]N1CCN([*])C1=O,0.18159716,False
14746,COc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3Cl)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42675686,False
14747,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3ccccc3n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34227642,False
14748,Cc1cc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)on1,[*]N1CCN([*])C1=O,0.5912518,False
14749,Cc1ccc(C)c(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55163574,False
14750,Cc1ccc(Cl)cc1C(=O)NCC=CCN1CCN(c2ccc(Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35092905,False
14751,Cc1cccc(N2CCN(CC3CCCCCN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.5377557,False
14752,Cc1csc(N2CCN(C3CCCCN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.2674479,False
14753,N#Cc1cccc(N2CCN(CC3CCCNC3)C2=O)c1,[*]N1CCN([*])C1=O,0.5218138,False
14754,Nc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)ccc1CO,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4546878,False
14755,O=C(NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2-3)CC1)c1cccc(F)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5274849,False
14756,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1=C([O-])[N+](=O)C=CC=CC=C1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82709503,False
14757,O=C1N(CCN2CCCC(C(F)(F)F)CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.8762227,False
14758,O=C1N(CCN2CCCc3sccc3C2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.7083801,False
14759,O=C1N(c2ccc(Cl)cc2)CCN1C1CCc2ccsc2C1,[*]N1CCN([*])C1=O,0.35881218,False
14760,O=C1N(c2cccc(Cl)c2)CCN1C1CCCN(Cc2ccccc2)C1,[*]N1CCN([*])C1=O,0.51181453,False
14761,CC(C)N1CCN(CCN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8588042,True
14762,CC(CN1CCN(Cc2cccc(Cl)c2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.37863111,False
14763,CC1CC(C)(C)CCN1CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.58824074,False
14764,CCCN(CC1CCC2(CCC(=O)C2)CC(=O)C1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5272268,False
14765,CCCc1cccc2c1OCC(N(COC)CC(=O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.35999864,False
14766,CCOCN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7740395,False
14767,CCOc1c(C)ccc(OC)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20537353,False
14768,CCc1ccc(O)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9531436,False
14769,CCc1cccc2c1OCC(N(CC(C)C)c1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4395402,False
14770,COc1c(O)cccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cccs3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40082863,False
14771,COc1ccc2oc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93642503,False
14772,COc1cccc(-c2ccccc2C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8731307,False
14773,Cc1cccc(N2CCN(c3ccc(C)s3)C2=O)c1,[*]N1CCN([*])C1=O,0.22085659,False
14774,Cc1cccnc1-c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3O)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48627192,False
14775,Cc1nc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c(C)s1,[*]N1CCN([*])C1=O,0.83515245,False
14776,N#Cc1cc(N2CCN(Cc3cccs3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.34901762,False
14777,N#Cc1cccc(N2CCN(CN3CCCC(Cc4ccccc4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.57476926,False
14778,N#Cc1cccc(N2CCN(c3ccc4c(c3)Cc3ccccc3CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.5226567,False
14779,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.58587736,False
14780,O=C(NCC=CCN1CCN(c2ccccc2-c2cccs2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76958597,False
14781,O=C1N(CCN2CCCOC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.6162221,False
14782,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(C#Cc2ccccc2)c1,[*]N1CCN([*])C1=O,0.70796955,False
14783,CC(C)c1cccc(N2CCN(Cc3ccccn3)C2=O)c1,[*]N1CCN([*])C1=O,0.24268238,False
14784,CC(CN1Cc2ccccc2C1)N1CCN(Cc2ccc3ccccc3c2)C1=O,[*]N1CCN([*])C1=O,0.5591259,False
14785,CCCCN(C1COc2c(F)cccc2C1)C1CCCC2(CCC(=O)C(=O)C2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.33115315,False
14786,CCCN(CCC)C1COc2c(cccc2Oc2cccc(C(C)C)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7314228,False
14787,CCCN(CO)C1COc2c(CCNC(=O)C3(C)CCCC3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.38729343,False
14788,CCN1CCCC1CNC(=O)c1c(C)ccc(CCCCCl)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.61763984,False
14789,CCc1ccc(Br)c(OCl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23281159,False
14790,CCc1cccc2c1OCC(N(CCC=C(C)C)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4097562,False
14791,COc1ccc(C)c(OC)c1C(=O)NCC1CCCN1CCc1ccccc1,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.4379326,False
14792,COc1ccc(N2CCN(CC=CCNC(=O)c3ccc(OC)cc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38419035,False
14793,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(OC)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42501307,False
14794,COc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69592154,False
14795,COc1ccccc1N1CCN(CC=CCNC(=O)c2oc3ccccc3c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8193253,False
14796,Cc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70974565,False
14797,O=C(NCC=CCN1CCN(c2c[nH]c(-c3ccc(F)cc3)c2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44596738,False
14798,O=C(NCC=CCN1CCN(c2ccc(C=CCO)cc2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.441734,False
14799,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c2cc(O)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9207493,False
14800,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cc[nH]c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9115077,False
14801,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccncc2Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8988386,False
14802,O=C(NCC=CCN1CCN(c2cccc3ccnn23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42979065,False
14803,O=C(NCC=CCN1CCN(c2ccccc2-c2ccccc2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8258491,False
14804,O=C1N(CCN2CCCc3sccc3C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.7640969,False
14805,O=C1N(CN2CCC3CCCCCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.42705923,False
14806,O=C1N(c2cccc(Cl)c2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.37640545,False
14807,CC(C)N1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.34743756,False
14808,CC(C)OCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.2754416,False
14809,CCCCN(C1COc2c(CC)cccc2C1)C(O)c1ccccc1,[*]CN([*])C1COc2c([*])cccc2C1,0.49247846,False
14810,CCCSOc1c(OC)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22560766,False
14811,COC1=CC=CC=c2[nH]cc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)c2=C1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4205674,False
14812,COCC1C2CCC1CN(CCN1CCN(c3cc(Cl)cc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.54886144,False
14813,COc1ccc(-c2cccc(O)n2)cc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6218898,False
14814,COc1ccc2[nH]c(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39264455,False
14815,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(OCCF)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8586708,False
14816,Cc1cc(CN(C)CN2CCN(c3cccc(Cl)c3)C2=O)on1,[*]N1CCN([*])C1=O,0.44893023,False
14817,Cc1ccc(F)c(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8967159,False
14818,Cc1sccc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9568823,False
14819,N#Cc1cccc(N2CCN(Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.43957973,False
14820,O=C(NCC=CCN1CCN(CCOc2ccc(-c3ccccn3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38122058,False
14821,O=C(NCC=CCN1CCN(c2c[nH]c3cc(OCCF)ccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52580553,False
14822,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1ccccc1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5111021,False
14823,O=C(NCC=CCN1CCN(c2cccc3c2-c2ccccc2C(O)CC3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6464874,False
14824,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc([N+](=O)[O-])ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6611894,False
14825,O=C(NN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1)c1cccc([N+](=O)[O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.21884343,False
14826,O=C1N(CCN2CCCC(c3ccccc3)C2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.74577564,False
14827,O=C1N(CCN2CCCNCC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.64293057,False
14828,O=C1N(CN2CCC(Cc3ccccc3)CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.6196147,False
14829,O=C1N(Cc2nc3ccccc3s2)CCN1c1cccc([N+](=O)[O-])c1,[*]N1CCN([*])C1=O,0.2364884,False
14830,C#Cc1cccc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34171447,False
14831,CC(C)N1CCN(c2ccc(Cl)cc2Cl)C1=O,[*]N1CCN([*])C1=O,0.18869351,False
14832,CCCCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5836109,False
14833,CCCN(CC1CCCCC1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6127488,False
14834,CCCN(CCc1cccs1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.77859676,False
14835,CCN1CCCC1CNC(=O)c1c(O)ccc(Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9388456,False
14836,CCSc1ccc(O)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.822495,False
14837,CN1CCCCCC1CN1CCN(c2cccnc2)C1=O,[*]N1CCN([*])C1=O,0.4190135,False
14838,COCC1CCCc2c1cccc2N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.3815339,False
14839,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(O)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.41368324,False
14840,COc1cc(F)ccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(O)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59364504,False
14841,COc1ccccc1C(=O)NCC=CCN1CCN(c2c[nH]c3cccc(OC)c23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5960236,False
14842,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59899753,False
14843,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(F)cn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85877997,False
14844,Cc1ccc2c(c1)CCN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.7363421,False
14845,O=C(NCC=CCN1CCN(c2c[nH]c3ccc(OCCF)cc23)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6102971,False
14846,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2c(F)cccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9355829,False
14847,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1Oc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9362157,False
14848,O=C1N(CCN2CCC(CCc3ccccc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.86239195,False
14849,O=C1N(CCN2CCC3CCCCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8388484,False
14850,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(Cl)c(F)c1F,[*]N1CCN([*])C1=O,0.91375333,False
14851,O=C1N(CCOc2cccc(Cl)c2)CCN1CCN1CCCCCC1,[*]N1CCN([*])C1=O,0.6351976,False
14852,O=C1N(c2cccc(Cl)c2)CCN1c1ccc2c(c1)C1CNCCC(C2)C1,[*]N1CCN([*])C1=O,0.4460807,False
14853,O=Cc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.82332325,False
14854,CC(C)(C)c1nc(N2CCN(CC=CCNC(=O)c3ccccc3N)CC2)cc(C(F)(F)F)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4432599,False
14855,CC(C)N1CCN(C2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.24068472,False
14856,CC(C)OCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.26568162,False
14857,CC(C)Oc1cccc(N2CCN(c3ccc(F)c(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.17313702,False
14858,CCCc1cccc2c1OCC(N(CC(C)=O)c1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.30766425,False
14859,CCOc1c(C)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1831141,False
14860,CCc1cccc2c1OCC(N(CC(C)C)c1ccc3[nH]ccc3c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.28192145,False
14861,COc1ccc(S(=O)(=O)c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.24035017,False
14862,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89831865,False
14863,COc1cccc(N2CCN(CC3COc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6683053,False
14864,Cc1ccccc1N1CCN(CC2CCCCCN2)C1=O,[*]N1CCN([*])C1=O,0.29605195,False
14865,Cc1nc2cccc(N3CCN(c4ccc(F)cc4)C3=O)c2s1,[*]N1CCN([*])C1=O,0.14883533,False
14866,N#Cc1cc(N2CCN(CC3CCCCC3)C2=O)ccc1Cl,[*]N1CCN([*])C1=O,0.4233428,False
14867,NC(CN1CCN(CCN2Cc3ccccc3C2)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.786375,False
14868,O=C(CN1CCN(c2cccc(C(F)(F)F)c2)C1=O)NCCc1ccccc1,[*]N1CCN([*])C1=O,0.12657312,False
14869,O=C(NCC=CCN1CCN(c2ccc3ncccc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48813578,False
14870,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(OCCF)ccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8824914,False
14871,O=C1N(CC2CCCCC2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.3680748,False
14872,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)Sc1ccccc1C2,[*]N1CCN([*])C1=O,0.8233253,False
14873,O=C1N(CCN2Cc3ccccc3CC3CCC2C3)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.56297445,False
14874,O=C1N(CCOCc2cccc(Cl)c2)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.7691901,False
14875,O=C1N(c2ccc3ccccc3c2)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.302682,False
14876,O=C1N(c2cccc(F)c2)CCN1C1CCCCCC1,[*]N1CCN([*])C1=O,0.24614033,False
14877,C=CCOc1c(C)ccc(OC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2018255,False
14878,CC(C)N1CCN(CCN2CCN(Cc3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.65351015,False
14879,CC(F)CN1CCN(CCN2CCN(c3cccc(C(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.74645704,False
14880,CC(c1ccccc1)N1CCN(Cc2ccccn2)C1=O,[*]N1CCN([*])C1=O,0.22234076,False
14881,CC1(Cc2ccccc2)NOCc2cc(N3CCN(c4cccc(Cl)c4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.47566792,False
14882,CC1CC2CCC(CN(C)CCN3CCN(c4cccc(Cl)c4)C3=O)C1CC2,[*]N1CCN([*])C1=O,0.7202969,False
14883,CCCCN(OC)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49487075,False
14884,CCCN(C(C)C)C1COc2c(cccc2-c2ccc(Br)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.637584,False
14885,CCCN(Cc1cccc(F)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6622474,False
14886,CCCN(O)C1COc2c(CCc3ccco3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47853866,False
14887,CCCOc1c(CC)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.26757723,False
14888,CCCc1cccc2c1OCC(N(CC)COC(=O)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.27858362,False
14889,CCCc1cccc2c1OCC(N(CCC)C(O)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.56300193,False
14890,CCCc1cccc2c1OCC(N(CCC)S(=O)(=O)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5422005,False
14891,CCc1ccc(N2CCN(CC3CCCCN3)C2=O)cc1,[*]N1CCN([*])C1=O,0.405698,False
14892,COc1c(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)ccc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7380979,False
14893,COc1ccc(C2CCCCC2C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73585355,False
14894,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3OCCF)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45458478,False
14895,COc1cccc(Oc2cccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93625784,False
14896,COc1ccccc1C(=O)NCC=CCN1CCN(C2CCCc3ccccc32)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35399717,False
14897,COc1ccccc1C(=O)NCC=CCN1CCN(CNC(=O)OC(C)(C)C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.22021866,False
14898,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccccc1C(F)(F)F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4937883,False
14899,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)OCC(F)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9234174,False
14900,O=C1N(CCN2CC3CCC(Cc4ccccc4C3)C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.6381773,False
14901,O=C1N(CCN2CCCC3Cc4ccccc4CCC32)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4939213,False
14902,CC(C)N1CCN(CN2CCN(C(C)C)C2=O)CC1,[*]N1CCN([*])C1=O,0.31871545,False
14903,CCCCN(CCC)C1COc2c(cccc2-c2ccc(Cl)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7045803,False
14904,CCCN(CC(F)c1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.58447796,False
14905,CCCN(CCC#N)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.75838053,False
14906,CCCN(CCC)C1COc2c(cccc2-c2ccc(Cl)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.81090593,False
14907,CCCN1CCCC1CNC(=O)c1c(C)ccc(C)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.34389403,False
14908,CCCc1cccc2c1OCC(N(CC)Cc1ccc(C(C)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6344769,False
14909,CCc1cccc2c1OCC(N(CC(C)C)c1ccc(C)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3457186,False
14910,CCc1cccc2c1OCC(N(O)CCC(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.41071203,False
14911,CN(C)CCN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4080754,False
14912,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36636332,False
14913,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)n3)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44792944,False
14914,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(-c4ccccc4)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45844346,False
14915,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(CCF)cc3)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40234357,False
14916,COc1cccc(C2CCCCC2N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.38583642,False
14917,COc1cccc2[nH]c(C(=O)NC(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8577289,False
14918,Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c(-c2ccccc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8406894,False
14919,Cc1ccc(N2CCN(C3CCCNC3)C2=O)cc1F,[*]N1CCN([*])C1=O,0.21622947,False
14920,Cc1ccccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)[n+]1=O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38394144,False
14921,N#Cc1ccc(F)c(CN2CCN(CN3CCN(c4cccnc4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.44167855,False
14922,O=C(NCC=CCN1CCN(c2cc(O)[nH]c2-c2ccccc2)CC1)c1cccc(C(F)(F)F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5958163,False
14923,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(O)cc2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9339588,False
14924,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccnc(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8448923,False
14925,O=C1N(CC(F)(F)F)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.31979492,False
14926,O=C1N(CC2NCCCN2c2ccc(F)cc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.56670505,False
14927,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.5958338,False
14928,CC(C)N(CO)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37177977,False
14929,CCCN(CCC)C1COc2c(cccc2-c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8315926,False
14930,CCN(CC(C)C)C1COc2c(cccc2OCc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6074339,False
14931,CCN1CCCC1CNC(=O)c1c(C)ccc(OC)c1OCCCF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7757699,False
14932,CCOc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37945956,False
14933,CCc1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.45953947,False
14934,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC1CCCCC1,[*]N1CCN([*])C1=O,0.66627455,False
14935,CN(CCN1CCN(c2cccc(F)c2Cl)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.47302496,False
14936,COC(=O)CN1CCN(CC(F)(F)F)C1=O,[*]N1CCN([*])C1=O,0.09249677,False
14937,COC1CCCCN1CCN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.37067568,False
14938,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(C)s2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37751663,False
14939,COc1c(C(=O)NCCN2CCN(c3ccccc3C(F)(F)F)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.87227994,False
14940,COc1cc(Cl)ccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.829961,False
14941,COc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c(Cl)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8158168,False
14942,COc1cccc(F)c1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.792207,False
14943,COc1ccccc1C(=O)NCC=CCN1CCN(NC(=O)c2ccc(F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.22311264,False
14944,Nc1ccc(F)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89717376,False
14945,O=C(CNC(=O)c1ccc(-c2ccncc2)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8199092,False
14946,O=C(NCC=CCN1CCN(c2ccc(O)c(Cl)c2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4603737,False
14947,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2cccnc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8443376,False
14948,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccc(Cl)nc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9608548,False
14949,O=C1N(CC2Cc3ccccc3C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.61828285,False
14950,O=C1N(CCN2CCC3CCC2Cc2ccccc2C3)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5729448,False
14951,O=C1N(CCN2c3ccccc3CC23CCCCC3)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.50576216,False
14952,O=C1N(c2ccc(Cl)nc2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.27196345,False
14953,C=CCN(CCC)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6715014,False
14954,CC(C)N1CCN(CCN2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8214717,False
14955,CC(C)N1CCN(CCN2CCN(c3cccc(CO)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7766171,False
14956,CC1(C)CCN(CCN2CCN(c3ccccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.65472496,False
14957,CC1(C)Cc2ccccc2N1CCN1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.47543386,False
14958,CCCOc1c(Cl)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2945941,False
14959,CCCc1cccc2c1OCC(N(CCC)C1CCCCC1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5147994,False
14960,CCCn1cccc1CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.35945317,False
14961,CCN1CCCC1CNC(=O)c1c(C)ccc(CSC)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6892966,False
14962,CCN1CCCC1CNC(=O)c1c(C)ccc(O)c1OSC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.73505574,False
14963,CN1CCCC(N2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5382276,False
14964,CN1CCCC(c2cccc(N3CCN(c4ccccc4)C3=O)c2)CC1,[*]N1CCN([*])C1=O,0.45782268,False
14965,COc1ccc(Br)c(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9248098,False
14966,COc1ccc2oc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7569992,False
14967,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cn2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39975104,False
14968,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc([N+](=O)[O-])ccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48964477,False
14969,COc1ccccc1N1CCN(CC=CCNC(=O)OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88454205,False
14970,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccn2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91662407,False
14971,Cc1ccc(CN(C)CCN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)s1,[*]N1CCN([*])C1=O,0.48123932,False
14972,Cc1ccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)o1,[*]N1CCN([*])C1=O,0.6659094,False
14973,Cc1ccc(N2CCN(CCN3CCCC(c4ccccc4)CC3)C2=O)s1,[*]N1CCN([*])C1=O,0.74393195,False
14974,N#Cc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1Cl,[*]N1CCN([*])C1=O,0.8529328,False
14975,O=C(NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5050647,False
14976,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1cc[nH]n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4762226,False
14977,O=C1N(CN2CCCc3sccc3C2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.50616986,False
14978,O=C1N(CNCc2cccc(Cl)c2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.25572923,False
14979,O=C1N(c2cccc(F)c2)CCN1C1COCCN1,[*]N1CCN([*])C1=O,0.23226474,False
14980,CC(C)(F)c1cccc(CN2CCN(c3cccc(C#N)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.48031163,False
14981,CCCN(Cc1ccc(C(=O)c2ccccc2)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43600765,False
14982,CCCc1ccc(CC)c(OC)c1C(=O)NCC1CCCN1SC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.260656,False
14983,CCCc1cccc2c1OCC(N(CCC)c1cc(C(F)(F)F)co1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6644979,False
14984,CCCc1cccc2c1OCC(N(CCC)c1cc(C)co1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.62858385,False
14985,CN(CCN1CCN(c2ccc(Cl)cc2F)C1=O)CC1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.41376936,False
14986,CN1CCCCC1CN1CCN(Cc2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.4330443,False
14987,CN[N+](=O)c1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.82312095,False
14988,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2c[nH]c3ccc(OCCF)cc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.61587757,False
14989,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8681341,False
14990,COc1ccnc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43387884,False
14991,CS(=O)(=O)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.75809485,False
14992,Cc1cccc(CNCCN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.40261662,False
14993,Cc1ccccc1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.25459677,False
14994,Nc1ccccc1N1CCN(CC=CCNC(=O)Cc2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69112974,False
14995,O=C(NCC=CCN1CCN(c2ccc(-c3ncccn3)cc2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46996972,False
14996,O=C(NCC=CCN1CCN(c2csc3ccccc23)CC1)c1cccc(Cl)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.61063373,False
14997,O=C1N(CCN2CCC3CCC(C2)C(O)c2ccccc2C3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.6493985,False
14998,O=C1N(CCN2CCN(c3cccc(Cl)c3)C2=O)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6737284,False
14999,O=C1N(CCN2Cc3ccccc3O2)CCN1C1COc2ccccc2C1,[*]N1CCN([*])C1=O,0.60959315,False
15000,O=C1N(c2cccc(Cl)c2)CCN1C1c2ccccc2CC2CCCCC1CC2,[*]N1CCN([*])C1=O,0.5503971,False
15001,CC(C)N1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.22518554,False
15002,CC1(C)CC(N2CCN(c3cccc(Cl)c3)C2=O)CN(CCc2ccccc2)C1,[*]N1CCN([*])C1=O,0.6036613,False
15003,CC1CC(c2cccc(Cl)c2)CCN1CCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.5479199,False
15004,CCCCN(C(=O)c1ccoc1)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.29224795,False
15005,CCCCN(CC1CCCC1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52795994,False
15006,CCCN1c2ccccc2CC2CCC1CNC(N1CCN(c3cc(Cl)cc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.47321498,False
15007,CCc1cccc2c1OCC(N(CCC(C)C)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.47567862,False
15008,COC(F)(F)c1cccc(N2CCN(C(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.16717656,False
15009,COc1c(C(=O)NCCN2CCN(c3ccc(C)cc3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7498776,False
15010,COc1ccc(-c2c(C(=O)NCCN3CCN(C)CC3)cc(Br)c3ccccc23)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37480715,False
15011,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3OC)o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33247122,False
15012,Cc1ccccc1N1CCN(CCN2CCCc3sccc3C2)C1=O,[*]N1CCN([*])C1=O,0.44899848,False
15013,N#Cc1ccccc1N1CCN(CCN2CCN(CC(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.7166601,False
15014,O=C(Cl)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8306575,False
15015,O=C(NCC=CCN1CCN(c2cc(Cl)ccc2Cl)CC1)c1cccc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6684097,False
15016,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)nc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46605012,False
15017,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cc(F)ccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9096919,False
15018,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51646274,False
15019,O=C1N(CCCN2Cc3ccccc3C2)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.80594057,False
15020,O=C1N(CCN2CC3CCC(=CC=CC=C4Cc5ccccc5CC42)C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.641894,False
15021,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.64067686,False
15022,O=C1N(CCN2CCCC(C(F)(F)F)CC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.9292868,False
15023,O=C1N(CCN2CCCC(c3ccccc3)CC2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.8545931,False
15024,O=C1N(CCOC2CC3CCC(C2)N3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.81578887,False
15025,O=C1N(c2cccc(Cl)c2)CCN1c1cccc(OCCF)c1,[*]N1CCN([*])C1=O,0.39782962,False
15026,C=C(c1ccccc1)c1cccc2c1OCC(N(CC)CCCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.45428714,False
15027,CC(C)N1CCN(CCN2CCN(Cc3ccc(Cl)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.60138386,False
15028,CC(C)c1cccc(N2CCN(CCN3CCc4ccc(F)cc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7249767,False
15029,CCCCN(CC)C1COc2c(cccc2-c2ccc(O[O-])cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5115862,False
15030,CCCN(Cc1ccc2[nH]ccc2c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.58964735,False
15031,CCCc1cccc2c1OCC(N(CCC)c1cc(C(F)(F)F)nn1C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.55344975,False
15032,CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1[SH](C)(=O)[O-],[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15892796,False
15033,COc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1-c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7910724,False
15034,COc1cccc(CCN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.8416112,False
15035,COc1cccc(CN(C)CCN2CCN(CC(F)(F)F)C2=O)c1,[*]N1CCN([*])C1=O,0.512416,False
15036,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(O)ccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.57850915,False
15037,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3nccs3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42727074,False
15038,Cc1ccc(CN2CCN(c3cc4ccccc4s3)C2=O)cc1N,[*]N1CCN([*])C1=O,0.22039396,False
15039,NOCN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([N+](=O)[O-])c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.23264687,False
15040,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc(F)cnc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77748436,False
15041,O=C1N(CC2CCCCN2)CCN1c1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.51629245,False
15042,O=C1N(CCN2C3CCCCC2CCC3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.55551314,False
15043,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.7880518,False
15044,O=C1N(CCN2CCCC(c3ccccn3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.780964,False
15045,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccncc1,[*]N1CCN([*])C1=O,0.8555657,False
15046,O=C1N(CCNC2CCc3sccc3C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.46184176,False
15047,O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.36190572,False
15048,O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.3605053,False
15049,CC(C)NCc1cccc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3110682,False
15050,CCCCN(Cn1ccc(C(F)(F)F)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5662381,False
15051,CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1S(N)(=O)=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15000021,False
15052,CN(C)CCN1CCN(c2ccc3c(c2)Cc2ccccc2-3)C1=O,[*]N1CCN([*])C1=O,0.6644036,False
15053,CN(CCN1CCN(c2ccc(Cl)cc2)C1=O)CC12CCC(CC1)C(C)(O)C2,[*]N1CCN([*])C1=O,0.5905273,False
15054,COc1c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)sc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89737344,False
15055,COc1c(C(=O)NCCN2CCN(c3ccsc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.87050694,False
15056,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)o2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35400406,False
15057,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(F)cc3)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38846248,False
15058,COc1cccc(C2CCCN(CN3CCN(c4ccccc4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.5655066,False
15059,COc1cccc(CC2CCN(CN3CCN(c4cccc(C)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.54313105,False
15060,COc1cccc(Oc2cccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37028775,False
15061,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccccn3)[nH]n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8060885,False
15062,Cc1ccc(CN(C)CN2CCN(c3ccccn3)C2=O)s1,[*]N1CCN([*])C1=O,0.25272703,False
15063,N#Cc1cccc(N2CCN(C3NCC4CCc5ccccc5CC3CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.5546232,False
15064,O=C(NCC=CCN1CCN(c2cc(-c3cccc(Cl)c3)c[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43912196,False
15065,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1)c1ccc(-c2ccccc2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63116896,False
15066,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccccn2)cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8695262,False
15067,O=C1N(CC2CCc3ccsc3CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.61664957,False
15068,O=C1N(CCN2COc3ccccc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.70401776,False
15069,C=CCOc1c(OC)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23913266,False
15070,CC1CCc2sccc2CN1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4966762,False
15071,CCCCN(CC)C1COc2c(cccc2-c2cccc(O)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45227185,False
15072,CCCN(Cc1ccc(OC)cc1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.70648116,False
15073,CCCc1ccc(C)c(OCC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16442917,False
15074,CCCc1ccc(C)c(OO)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16616865,False
15075,COc1c(C(=O)NCCN2CCN(CON)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38131583,False
15076,COc1c(C(=O)NCCN2CCN(c3ccc(C)o3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7373561,False
15077,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)-c2ccccc2C3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7108182,False
15078,COc1ccc(C(=O)NCC=CCN2CCN(Cc3ccccc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36394867,False
15079,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(F)cc3)CC2)c(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30141428,False
15080,COc1cccc(-c2ccc(CN3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33808902,False
15081,COc1cccc(C2CCCN(CCN3CCN(Cc4cccc(Cl)c4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.61998326,False
15082,COc1cccc(N2CCN(CCN3CCCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.5629863,False
15083,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(Cl)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5265433,False
15084,N#Cc1cccc(N2CCN(CCNC3CCc4ccsc4CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.5281111,False
15085,NC(=O)c1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96325994,False
15086,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1cccc2c1-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5278758,False
15087,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.511132,False
15088,O=C(NCC=CCN1CCN(c2ccc(O)c(F)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45436293,False
15089,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(Cl)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87093496,False
15090,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cncs2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8709544,False
15091,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8988596,False
15092,O=C1N(CCCN2Cc3ccccc3C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7628162,False
15093,O=C1N(CCc2ccccc2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.4734883,False
15094,O=C1N(c2cccc(Cl)c2)CCN1c1cccc(CN2CCCCC2)c1,[*]N1CCN([*])C1=O,0.4148671,False
15095,CCCCN(C)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42029616,False
15096,CCCCN(CC)C1COc2c(cccc2-c2ccc(C(F)(F)F)c(O)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45834908,False
15097,CCCc1cccc2c1OCC(N(CC)CC(=O)c1coc(C)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.275485,False
15098,CCN(CN)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5924521,False
15099,CCOc1c(OC)ccc(CCS)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23435448,False
15100,CCc1cccc(N2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.29643786,False
15101,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1ccc2c(c1)CCCCC2,[*]N1CCN([*])C1=O,0.6321573,False
15102,CN(Cc1ccc2ccccc2c1)CN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.40424842,False
15103,CN1CCCC(CN2CCN(c3ccc(Cl)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5267927,False
15104,COc1cc(OCCF)ccc1C(=O)NCC=CCN1CCN(c2ccc(N(C)C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36551365,False
15105,COc1ccc2c(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c(O)[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35267252,False
15106,COc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3F)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4643076,False
15107,Cc1ccc(CC2CCCC2)c(C(=O)NCC2CCCN2Cl)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19213934,False
15108,Nc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51215893,False
15109,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)c(O)n2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41831177,False
15110,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)o2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3754071,False
15111,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccnc2)cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8877982,False
15112,O=C(NCCN1CCN(O)CC1)c1cc(Br)c2ccccc2c1-c1ccccc1[N+](=O)[O-],[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38894564,False
15113,O=C1N(CCCN2CC3CCC2Cc2ccccc2C3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5689552,False
15114,O=C1N(CCN2CCN3CCCCC3C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.61179245,False
15115,O=C1N(CCN2CCc3sccc3C2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.53672576,False
15116,O=C1N(Cc2ccc(Cl)cc2)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.39947408,False
15117,O=C1N(Cc2cccc(OC(F)(F)F)c2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.34226608,False
15118,CC(C)NC1CCCCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.27188814,False
15119,CC(N)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.9027924,False
15120,CC1(C)C2CCCC1(CN1CCN(c3ccc(F)cc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.3887197,False
15121,CCCN(CO)C1COc2c(CCN3C(=O)CC(C)(C)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5344807,False
15122,CCN(CC(C)C)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5118892,False
15123,CCN1CC2(C)CCC1CC(N1CCN(c3cccc(Cl)c3)C1=O)C2(C)C,[*]N1CCN([*])C1=O,0.45718855,False
15124,CCN1CCN(Cc2ccccn2)C1=O,[*]N1CCN([*])C1=O,0.22863403,False
15125,CCOOc1c(O)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6957238,False
15126,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2[S+]O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39226365,False
15127,COc1c(Br)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.28974187,False
15128,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6121979,False
15129,COc1ccc(-c2cccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4OC)CC3)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6829126,False
15130,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3OC)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69012326,False
15131,COc1ccc(N2CCN(CC3CCCCCN3C)C2=O)cc1,[*]N1CCN([*])C1=O,0.3920833,False
15132,COc1ccccc1C(=O)NCC=CCN1CCN(NCc2ccc(F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.24277128,False
15133,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc([N+](=O)O)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41711247,False
15134,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c(-c3cccc(C)c3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88576746,False
15135,Cc1cccc(N)c1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39403966,False
15136,N#Cc1cc(N2CCN(CCc3cc4ccccc4s3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.48233137,False
15137,O=C(NCC=CCN1CCN(c2ccc(-c3ccc([O-])cc3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4550451,False
15138,O=C(NCC=CCN1CCN(c2ccccc2Oc2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91988266,False
15139,O=C1N(CCN2Cc3ccccc3C2)CCN1CC1COCO1,[*]N1CCN([*])C1=O,0.7593372,False
15140,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc(F)c1,[*]N1CCN([*])C1=O,0.8755591,False
15141,C=CCN1CCCC1CNC(=O)c1c(C)ccc(C)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.4899093,False
15142,C=CCc1ccc(OC)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22619908,False
15143,CC(C)N1CCN(C2CC3CCC2CN(C)c2ccccc2C3)C1=O,[*]N1CCN([*])C1=O,0.40541726,False
15144,CCCN(Cc1cc(C)co1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53252065,False
15145,CCCc1cccc2c1OCC(N(CO)c1ccc(NC(C)=O)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.17583795,False
15146,CCc1ccc(OC)c(OO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.26431096,False
15147,CCc1cccc2c1OCC(N(CC(C)CC)c1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.40616876,False
15148,CN(CN1CCN(c2cccc(Cl)c2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.6371385,False
15149,CN1C2CCC(Cc3ccccc3C2)CC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5522315,False
15150,CN1CCCc2cccc(N3CCN(c4ccccc4)C3=O)c21,[*]N1CCN([*])C1=O,0.38277987,False
15151,COc1c(C(=O)NCCN2CCN(c3cccc(O[N+](=O)[O-])c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.83845186,False
15152,COc1ccc(N2CCN(CC=CCNC(=O)c3ccc(OCCF)cc3)CC2)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4224423,False
15153,N#CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.28371903,False
15154,O=C(NCC=CCN1CCN(c2ccc3ccc(O)cc3c2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45380557,False
15155,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90729564,False
15156,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(O)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93090093,False
15157,O=C1N(CC2CC3CCCCC3N2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.39201963,False
15158,O=C1N(CC2CCc3ccsc3C2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.40548214,False
15159,O=C1N(CCN2CCC3(CCc4ccccc4C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7261783,False
15160,O=C1N(CCN2CCCCc3sccc3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.4994538,False
15161,O=C1N(CCN2CCNCC2)CCN1c1ccc(Cl)cc1F,[*]N1CCN([*])C1=O,0.505929,False
15162,O=C1N(CCN2CCc3ccccc32)CCN1c1cccc2c1OCO2,[*]N1CCN([*])C1=O,0.49939838,False
15163,O=C1N(CCN2Cc3ccccc3C2)CCN1c1c(Cl)cccc1Cl,[*]N1CCN([*])C1=O,0.8773278,False
15164,CC(C)N1CCN(CCN2CCCc3sccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5653926,False
15165,CC1(C)C2CCCC1(CN1CCN(c3ccc(Cl)cc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.37394252,False
15166,CCCCN(CC)C1COc2c(cccc2-c2cccc(C)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4413601,False
15167,CCCN(Cc1cc(C(=O)O)co1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4557866,False
15168,CCCN(Cc1cccc2ccc(OC)cc12)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5259908,False
15169,CCCOC1CCCc2ccc(N3CCN(c4ccccn4)C3=O)cc21,[*]N1CCN([*])C1=O,0.39880508,False
15170,CCCc1cccc2c1OCC(N(Cc1ccc(C(F)(F)F)cc1)C1CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.57660043,False
15171,CN1CCOCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4530006,False
15172,COC(C)c1ccccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7427048,False
15173,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(-c3ccccc3)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.42452022,False
15174,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(F)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41279578,False
15175,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(C)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3464064,False
15176,COc1ccccc1N(C)c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40189844,False
15177,COc1ccccc1N1CCN(CC=CCNC(=O)c2oc3cccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.858281,False
15178,Cc1ccc(N2CCN(C3CCCOC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.15148778,False
15179,N#Cc1cccc(N2CCN(CCN3CCN(c4ccc5ccsc5c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.63816726,False
15180,O=C(NCC=CCN1CCN(c2cc3cccc(O)c3[nH]2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44612443,False
15181,O=C(NCC=CCN1CCN(c2cccc(-c3cccs3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46967614,False
15182,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97599757,False
15183,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(O)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87483895,False
15184,O=C(NCCN1CCN(c2ccccc2)CC1)c1cc(Br)c2ccccc2c1F,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8197176,False
15185,O=C1N(CCN2CCCC(Cc3ccc(Cl)cc3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.77764404,False
15186,CC(C)OCC1CCCN(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.54885554,False
15187,CC1(C)CCNC(CN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.48854294,False
15188,CC1CCCC(CN2CCN(c3ccccc3)C2=O)N1,[*]N1CCN([*])C1=O,0.4334497,False
15189,CCCCN(C(=O)c1cccs1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.32273465,False
15190,CCCCN(O)C1COc2c(CCN3C(=O)CC4(CCCC4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54130894,False
15191,CCCN(CC(C)C)C1COc2c(cccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6632085,False
15192,CCCN(CCC)C1COc2c(cccc2C(=O)NC(=O)c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5511633,False
15193,CCCN(CCC)C1COc2c(cccc2C2CCCC(=O)C2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71966815,False
15194,CCCN(Cc1ccc2c(OC)cccc2c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5752427,False
15195,CCN(CC)COc1c(OC)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2008728,False
15196,CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1C(C)=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18926397,False
15197,CN1CCCCC1CN1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.4623067,False
15198,COc1c(OCCF)cccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87381774,False
15199,COc1ccc(-c2cccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41377586,False
15200,COc1ccc2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)nc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3399357,False
15201,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccc(Cl)cc4)CC3)s2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42743686,False
15202,COc1ccccc1N1CCN(CC=CCNC(=O)C=Cc2ccc(O)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70126414,False
15203,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(Cl)cc3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9192643,False
15204,Cc1cc(CN2CCN(c3ccccc3)C2=O)sn1,[*]N1CCN([*])C1=O,0.17013015,False
15205,O=C(NCC=CCN1CCN(S(=O)(=O)c2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.15185389,False
15206,O=C(NCC=CCN1CCN(c2cc3ccccc3[nH]2)CC1)c1cccc(Cl)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50753295,False
15207,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(F)nc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4963442,False
15208,O=C(NCN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36414385,False
15209,O=C1N(CCN2CCCCC23CCc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5922335,False
15210,C=CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19462639,False
15211,CC(C)N1CCN(CCN2CCC(c3ccccc3)CC2)C1=O,[*]N1CCN([*])C1=O,0.7871715,False
15212,CC1=CC=CC(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)=CC=C[N+]1=O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3834022,False
15213,CCCCN(C1COc2c(CC)cccc2C1)C(C)(C)C,[*]CN([*])C1COc2c([*])cccc2C1,0.47313863,False
15214,CCCCN(C=O)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5185614,False
15215,CN1CC2CCC1CCC2CN1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.54932934,False
15216,CN1Cc2ccccc2C1CN1CCN(Cc2cccs2)C1=O,[*]N1CCN([*])C1=O,0.58907354,False
15217,COc1c(C(=O)NCCN2CCN(c3ccccc3CN(C)C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.88469154,False
15218,COc1cccc(Oc2ccc(C(=O)NCC=CCN3CCN(c4ccc(Cl)c(Cl)c4)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41341478,False
15219,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccoc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31305423,False
15220,O=C(NCC=CCN1CCN(OCC2c3ccccc3-c3ccccc32)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39896286,False
15221,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(Br)cnc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9085002,False
15222,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2nccc(O)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.933821,False
15223,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92339474,False
15224,O=C(NCC=CCN1CCN(c2ccccc2-c2cc[nH]c2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72228914,False
15225,O=C1N(CCN2CCN(Cc3cccc(F)c3)CC2)CCN1C1CCOCC1,[*]N1CCN([*])C1=O,0.5827495,False
15226,O=C1N(CCN2CCc3ccsc3C2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.61276895,False
15227,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.8821255,False
15228,O=C1N(CCNCC23CCCCC2CCC3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.39880928,False
15229,O=C1N(CN2c3ccccc3CC3CCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5505229,False
15230,O=C1N(Cc2ccc(Cl)c(Cl)c2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.34162048,False
15231,O=C1N(c2cccc(Cl)c2)CCN1C1CCC2CCNC1C1=CC=CC=C(C1)C2,[*]N1CCN([*])C1=O,0.39147398,False
15232,CCCCN(CC)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5265558,False
15233,CCCCN(CCC)C1COc2c(cccc2S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46903974,False
15234,CCCN(CCC)C1COc2c(cccc2S(=O)(=O)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.66728896,False
15235,CCCc1cccc2c1OCC(N(CCC)C(=O)c1ccno1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.46216077,False
15236,CCCc1cccc2c1OCC(N(CCC)OC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.7411352,False
15237,CCCc1cccc2c1OCC(N(CCC)Oc1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.66334504,False
15238,CCc1ccc(C)c(OCC=O)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18290788,False
15239,COc1c(C(=O)NCCN2CCN(COc3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35286838,False
15240,COc1ccc(N)cc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66130465,False
15241,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36580187,False
15242,COc1cccc(N2CCN(COCc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3884488,False
15243,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3c[nH]c(O)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39631563,False
15244,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2[N+](=O)[O-])CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60455555,False
15245,COc1ccccc1N1CCN(CC(=O)NCc2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.11857602,False
15246,COc1ccccc1N1CCN(CC=CCNC(=O)c2cn3ccccc3n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9093991,False
15247,COc1ccccc1N1CCN(CC=CCNC(=O)c2ncc[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8266581,False
15248,Cc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(CCO)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3517003,False
15249,N#Cc1cccc(CN2CCN(c3ccc4c(c3)Cc3ccccc3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.51226074,False
15250,O=C(NCC=CCN1CCN(c2cc(Cl)ccc2OCCF)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51327,False
15251,O=C(NCC=CCN1CCN(c2ccc(O)c(OCCF)c2)CC1)c1cc(Cl)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50538003,False
15252,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc([N+]O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93622917,False
15253,O=C1N(CC(F)(F)F)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.3258124,False
15254,O=C1N(CCN2CCc3ccc(Cl)cc3C2)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.53467864,False
15255,O=C1N(CCNCc2cccc(Cl)c2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.26544592,False
15256,O=C1N(c2cc3ccccc3s2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.31137964,False
15257,C=CCN(O)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.513164,False
15258,CCCCN(OSc1ccc(C(F)(F)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4849966,False
15259,CCCCc1ccc(CC)c(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27222925,False
15260,CCCc1cccc2c1OCC(N(CO)c1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5200173,False
15261,CCN1CCCC1CNC(=O)c1c(Br)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9571396,False
15262,CCOCN1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.37988666,False
15263,CN1CCN(CCN2CCN(c3cccc(C(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8401823,False
15264,CN1Cc2ccccc2C1CN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.6884961,False
15265,COc1ccccc1C(=O)NCC=CCN1CCN(Cc2ccc(CCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3279916,False
15266,COc1ccccc1C(=O)NCC=CCN1CCN(Oc2ccc([N+](=O)[O-])cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.20583275,False
15267,Nc1ncccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93606675,False
15268,O=C(C=CCNC(=O)c1ccccc1Cl)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81851876,False
15269,O=C(NCC=CCN1CCN(c2ccc(O)c([N+](=O)[O-])c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3751874,False
15270,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50224674,False
15271,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)-c1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.945997,False
15272,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccccc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9226269,False
15273,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc2cc(O)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8415551,False
15274,O=C1N(CC2CCCCCC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.5133111,False
15275,O=C1N(CC2CCCCCN2CCc2ccccc2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.43408388,False
15276,O=C1N(CC2CCc3ccsc3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.37792358,False
15277,O=C1N(CCN2CC3CCCN3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7741445,False
15278,O=C1N(CCN2CCCC(c3cccc(Cl)c3)CC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.75570464,False
15279,O=C1N(CCN2CCCCCC2)CCN1c1ccc(F)c(F)c1,[*]N1CCN([*])C1=O,0.7976373,False
15280,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.7813209,False
15281,O=C1N(CCN2CCN(Cc3cc4ccccc4s3)CC2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6102629,False
15282,O=C1N(Cc2cccnc2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.328521,False
15283,O=C1N(c2cccc(Cl)c2)CCN1c1ccccc1CN1CC2CCC1CC2,[*]N1CCN([*])C1=O,0.45247197,False
15284,O=C1N(c2ccccc2Cl)CCN1C1CCNCC1C(F)(F)F,[*]N1CCN([*])C1=O,0.22583766,False
15285,C=CN(Cc1ccc(C(F)(F)F)cc1)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5721068,False
15286,CC(C)N1CCN(CCN2CCN(c3cc(F)cc(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.76885855,False
15287,CC(C)Oc1cccc(N2CCN(CCN3CCN(c4cc(Cl)ccc4F)C3=O)C2=O)c1,[*]N1CCN([*])C1=O,0.49863973,False
15288,CC1CC(N2CCN(c3cccc(Cl)c3)C2=O)CCN1,[*]N1CCN([*])C1=O,0.44075453,False
15289,CCCCN(CC)C1COc2c(cccc2-c2ccc(C(=O)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.38318285,False
15290,CCOc1c(CCCl)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16314854,False
15291,CN(CC1CCCCC1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.556155,False
15292,COC1c2sccc2CCC1CN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.43335596,False
15293,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(Cl)c2O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.40141907,False
15294,COc1c(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)ccc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8985492,False
15295,COc1cc(C)c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.26099384,False
15296,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3C(F)CF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3330718,False
15297,COc1ccccc1-c1c(C(=O)NCCN2CCN(O)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.41504046,False
15298,Cc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6736591,False
15299,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(Cl)cc3)[nH]2)CC1)c1cccc(F)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46760988,False
15300,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccc([N+](=O)[O-])cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38628748,False
15301,O=C(NCC=CCN1CCN(c2ccc(O)cc2)CC1)c1ccc(Cl)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5007451,False
15302,O=C1N(CC2COCCN2c2cccc(Cl)c2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.37014034,False
15303,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)OCCC2,[*]N1CCN([*])C1=O,0.8367403,False
15304,O=C1N(CCn2cccc2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5373624,False
15305,O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1C1CCCCNC1,[*]N1CCN([*])C1=O,0.3371443,False
15306,CC(C)c1cccc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.31472155,False
15307,CC1C2CCCC1(CNCCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.6014681,False
15308,CC1CCC23CNC2C(C)(C)CC(C1)CN(CCN1CCN(c2cccc(Cl)c2)C1=O)C3,[*]N1CCN([*])C1=O,0.7352207,False
15309,CC=S(=O)(O)c1cccc2c1OCC(N(CC)CCCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.46067458,False
15310,CCCCN(OC)C1COc2c(CCN3C(=O)CC4(CCCC4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5792984,False
15311,CCCc1cccc2c1OCC(N(CC)CC(O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.51216745,False
15312,CCOc1c(Cl)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24150631,False
15313,CN(CN1CCN(c2ccc(F)c(Cl)c2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.5377907,False
15314,CN(Cc1cc2ccccc2o1)CN1CCN(c2ccc3ccccc3c2)C1=O,[*]N1CCN([*])C1=O,0.34247163,False
15315,CN1CCCCC1COCCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.745744,False
15316,CN1CCc2ccc(N3CCN(Cc4ccccc4)C3=O)cc21,[*]N1CCN([*])C1=O,0.47125608,False
15317,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3Cl)CC2)ccc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41331685,False
15318,COc1cc(OC)cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.86520314,False
15319,COc1ccc(-c2cc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)cs2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3891358,False
15320,COc1ccc(N2CCN(CC3CCNCC3)C2=O)c(Cl)c1,[*]N1CCN([*])C1=O,0.38007557,False
15321,COc1cccc(N2CCN(CC(C)OC3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.34382728,False
15322,COc1cccc(N2CCN(CC3CCC(NC(C)(C)C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.49871436,False
15323,COc1cccc(N2CCN(Cn3cc4ccccc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.40102506,False
15324,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ncccc3OC)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9230154,False
15325,NC(=O)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96350896,False
15326,O=C(NCC=CCN1CCN(c2ccc(-c3cccnc3)c(O)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5106711,False
15327,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5683632,False
15328,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccccc1Cl,[*]N1CCN([*])C1=O,0.8736482,True
15329,C=CN(COC)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5777305,False
15330,C=Cc1cccc2c1OCC(N(CO)CCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6483646,False
15331,CC(C)C1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CCN1,[*]N1CCN([*])C1=O,0.89829177,False
15332,CC(C)c1cccc2c1OCC(N(CO)C1CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.44428968,False
15333,CCCCN(COc1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.505647,False
15334,CCCN(Cc1ccc(OC)c(OC)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5879613,False
15335,CCCN1CCCC1CNC(=O)c1c(OC)ccc(SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5431543,False
15336,CCN(CC(C)C)C1COc2c(cccc2C(C)(C)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5431373,False
15337,CCc1ccc(C)c(C(=O)NCC2CCCN2C)c1OCOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17703336,False
15338,CCc1cccc2c1OCC(N(CC(=O)N(C)C)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.2706606,False
15339,CCc1cccc2c1OCC(N(O)CC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.43607414,False
15340,COC(=O)CCN1CCN(c2cccc(OC)c2)C1=O,[*]N1CCN([*])C1=O,0.3428866,False
15341,COc1c(C(=O)NCCN2CCN(c3cccc([N+](=O)[O-])c3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.83667177,False
15342,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2ccccc2OCc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5896939,False
15343,COc1ccc(N(C)C)cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5769387,False
15344,COc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c(OC)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8170987,False
15345,COc1cccc(CN2CCCCCC2N2CCN(c3cccc(C)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.24886812,False
15346,COc1cccc(N2CCN(CC=CCNC(=O)c3cccc(C(F)(F)F)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37908387,False
15347,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3cc[nH]c23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9108189,False
15348,COc1ccccc1N1CCN(CC=CCNC(=O)c2csc3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78125036,False
15349,Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9307657,False
15350,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c[n+]1=O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36285084,False
15351,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1ccccc1,[*]N1CCN([*])C1=O,0.1569498,False
15352,O=C(NCC=CCN1CCN(c2ccccc2Br)CC1)c1ccc([N+](=O)[O-])cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6115405,False
15353,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1coc(-c2ccc(Cl)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82063663,False
15354,O=C1N(CC2CCOC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.45172197,False
15355,CCCN(CC(C)=O)C1COc2c(cccc2C(=O)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46680385,False
15356,CCCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(cccc2-c2cccc(C(C)=O)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5049288,False
15357,CCCN(COC(=O)c1ccoc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45626575,False
15358,CCc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8571572,False
15359,CN1CCN(CCN2CCN(c3cc(F)cc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7460997,False
15360,CN1c2ccccc2CC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.67509216,False
15361,COCC1C2CCN(C)C1CC(N1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.49061486,False
15362,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1CO,[*]C(=O)NCC=CCN1CCN([*])CC1,0.858556,False
15363,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc4ccc(OC)cc34)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6778279,False
15364,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(Cl)cc3)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45082292,False
15365,COc1ccccc1C(=O)NCC=CCN1CCN(c2coc3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4099381,False
15366,CSN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35887608,False
15367,Cc1cc(CCN2CCN(c3cccc(F)c3)C2=O)ccn1,[*]N1CCN([*])C1=O,0.43591306,False
15368,Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9042557,False
15369,Cc1cccc(N2CCN(C3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.19891606,False
15370,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1cccc(Cl)c1CF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3995526,False
15371,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1cc(Br)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4522911,False
15372,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1cc2ccccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53567666,False
15373,O=C(NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2-3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4927357,False
15374,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1csc2ccc(OCCF)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84439284,False
15375,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2cccc(O)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9081384,False
15376,O=C1N(CCN2CCCCCC2)CCN1c1ccc2c(c1)OCC2,[*]N1CCN([*])C1=O,0.76025474,False
15377,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.6325003,False
15378,CC1(C)CC2CCC1(CNCCN1CCN(c3cccc(Cl)c3F)C1=O)CC2,[*]N1CCN([*])C1=O,0.4583708,False
15379,CCCCN(C1CCCC(=O)C1)C1COc2c(cccc2Oc2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39239767,False
15380,CCCCN(CC(=O)c1ccoc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40611976,False
15381,CCCc1cccc2c1OCC(N(CCC)c1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6703671,False
15382,CCN1CCCC1CNC(=O)c1c(OC)ccc(C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.91667986,True
15383,CCN1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.3891863,False
15384,CCNCc1cccc(CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.39750972,False
15385,CCOc1c(C)ccc(C)c1C(=O)NCC1CCCN1NC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.10980539,False
15386,CCSOc1c(OC)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24433628,False
15387,CCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OC(C)=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.71531343,False
15388,CN1CCCC(CN2CCN(c3ccc(F)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.53474224,False
15389,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C(=O)c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.48596835,False
15390,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2Cc2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4074812,False
15391,COc1cccc(N2CCN(CC(F)(F)F)C2=O)c1,[*]N1CCN([*])C1=O,0.43460292,False
15392,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Br)co2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9370547,False
15393,Cc1ccc(N2CCN(C3CN(CCc4ccccc4)CC(C)(C)C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.44573694,False
15394,O=C(NCC=CCN1CCN(C2CCc3c(O)cccc3C2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45174307,False
15395,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(F)cc3)[nH]2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41305965,False
15396,O=C(NCC=CCN1CCN(c2ccc(-c3ccc([N+](=O)[O-])cn3)cc2)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45575655,False
15397,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1CF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8973787,False
15398,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)NC(=O)c1ccc(Cl)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7973886,False
15399,O=C1N(CCN2C3CCCCCC2CC3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.39225838,False
15400,O=C1N(CCON2Cc3ccccc3C2)CCN1Cc1ccccc1Cl,[*]N1CCN([*])C1=O,0.5291312,False
15401,CC(C)NC1CCc2ccc(N3CCN(c4ccc(Cl)cc4)C3=O)cc21,[*]N1CCN([*])C1=O,0.34121278,False
15402,CC(C)c1cccc(CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.4460238,False
15403,CCCCN(C)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.608817,False
15404,CCCCN(CO)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49990433,False
15405,CN1CCCC(CN2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.47427732,False
15406,COCC1C2CCC1CN(CCN1CCN(c3ccccc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.6028535,False
15407,COCN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(Cl)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34134117,False
15408,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94819224,False
15409,COc1ccc(F)cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.62872285,False
15410,COc1cccc(-c2ccccc2C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85989857,False
15411,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(O)c3c2C=CC=CC=C3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8063486,False
15412,Cc1cccc(CN(C)CCN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.56644845,False
15413,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)nc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42858014,False
15414,O=C(NCC=CCN1CCN(c2ccc(O)cc2)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5388652,False
15415,O=C(NCC=CCN1CCN(c2ccc3cc(O)c(OCCF)cc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4644481,False
15416,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55851877,False
15417,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1-c1ccc(O)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81959945,False
15418,O=C(NCC=CCN1CCN(c2cccc([N+](=O)F)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4461457,False
15419,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)C1COCCN1c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5919532,False
15420,O=C1N(CCN2CCCC(c3ccccc3)CC2)CCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.7809628,False
15421,O=C1N(CCN2CCCc3sccc3C2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.703833,False
15422,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(Cl)cc(F)c1F,[*]N1CCN([*])C1=O,0.8112305,False
15423,O=C1N(Cc2cccc(F)c2)CCN1CC1CCCCN1,[*]N1CCN([*])C1=O,0.44387954,False
15424,O=C1N(Cc2ccccc2OC2CCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5344916,False
15425,O=Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3749299,False
15426,CC(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96115005,False
15427,CC(C)N(CO)C1COc2c(CCCN3C(=O)CCC4(CCC(=O)C4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5082971,False
15428,CC(C)N1CC2CCc3ccccc3CC(C)(CC2)C1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4199712,False
15429,CC1(C)CC2CCC(C)(CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C2)C1,[*]N1CCN([*])C1=O,0.83980894,False
15430,CCCN(CC(=O)c1cccs1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40503567,False
15431,CCN1CCCC1CNC(=O)c1c(C)ccc(C)c1OCO[O-],[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.54185754,False
15432,CCN1CCCC1CNC(=O)c1c(CO)ccc(C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8520728,False
15433,CCOCN1CCN(Cc2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.27000317,False
15434,COCC1C2CCCC1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.6761408,False
15435,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C(=O)c2ccccc2Cl)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.48061198,False
15436,COc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2cccc(OC)c2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.602102,False
15437,COc1ccc2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)nc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8456198,False
15438,COc1ccccc1C(=O)NCC=CCN1CCN(c2sccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3572736,False
15439,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(C)ccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9025254,False
15440,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C)cc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88878536,False
15441,Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93035716,False
15442,Cc1cccc(N2CCN(Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3645839,False
15443,O=C(CCc1ccc(F)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7410471,False
15444,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(O)cc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88400894,False
15445,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.98604757,False
15446,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1-c1cccc(O)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83307326,False
15447,O=C(NCCN1CCN(O)CC1)c1cc(Br)c2ccccc2c1-c1ccc(Cl)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4230908,False
15448,O=C1N(CC2CCCNC2)CCN1c1c(F)cccc1Cl,[*]N1CCN([*])C1=O,0.4488853,False
15449,O=C1N(CCN2CCCC3Cc4ccccc4CC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7350019,False
15450,O=C1N(Cc2ccccn2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.3482339,False
15451,CC(C)Oc1cccc(N2CCN(Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.27889314,False
15452,CCCCN(CC)C1COc2c(cccc2-c2ccc(-c3ccccc3)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5841386,False
15453,CCCCN(CC)C1COc2c(cccc2C2(C(C)=O)CCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.353364,False
15454,CCCN1CCCC1CNC(=O)c1c(C)ccc(C)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.41141137,False
15455,CCCc1cccc2c1OCC(N(CC)Cc1ccc(C)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4852931,False
15456,CCCc1cccc2c1OCC(N(CC)Cc1ccn[nH]1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.553594,False
15457,CCN(CC(C)=O)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39507994,False
15458,CCOc1c(Cl)ccc(O)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6450858,False
15459,CCOc1c(OC)ccc(CCl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.327227,False
15460,CCOc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39993963,False
15461,CCSc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5659789,False
15462,CN(CCN1CCN(c2ccccc2)C1=O)Cc1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.44852254,False
15463,COc1cc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c(OC)cc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8988853,False
15464,COc1cc2ccccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)c-2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8859616,False
15465,COc1ccc2ccc(N3CCN(CC=CCNC(=O)c4ccccc4F)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3337431,False
15466,COc1cccc2oc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.814129,False
15467,COc1ccccc1CN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.36732295,False
15468,Cc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90357006,False
15469,Cc1ccccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.779871,False
15470,Nc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8988619,False
15471,O=C(NCC=CCN1CCN(c2ccc(-c3ccon3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45821604,False
15472,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59998214,False
15473,O=C1N(CCN2CCc3sccc3C2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.49336356,False
15474,O=C1N(CCN2Cc3ccccc3C2)CCN1C(F)(F)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.81352574,False
15475,O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1c1ccc2c(c1)Sc1ccccc1C2,[*]N1CCN([*])C1=O,0.43913656,False
15476,CC(C)c1ccccc1N1CCN(C(C)C)C1=O,[*]N1CCN([*])C1=O,0.17614135,False
15477,CC(CN1CCN(Cc2ccccc2)C1=O)N1CCCCCC1,[*]N1CCN([*])C1=O,0.24248244,False
15478,CC1CCN(CCN2CCN(c3ccccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.7584824,False
15479,CCCCN(CNC(C)=O)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.38920996,False
15480,CCCCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5788696,False
15481,CCCCc1ccc(OC)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8381153,False
15482,CCCN(C(=O)c1ccoc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42950806,False
15483,CCCN(CCC)C1COc2c(cccc2-c2ccc(C(=O)OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5524422,False
15484,CCCOc1c(Br)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7206334,False
15485,CN1CCc2ccccc2C(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.7013431,False
15486,CN1CNCCC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7463141,False
15487,CNCC12CCCCC1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.62816304,False
15488,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(Cl)c(Cl)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.43905178,False
15489,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9236057,False
15490,COc1ccc(N2CCN(CCN3CCCCCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.78002816,False
15491,COc1cccc(N2CCN(CC3(C)CC4CCC(C3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.40474707,False
15492,COc1cccc(N2CCN(CC=CCNC(=O)c3cc(Br)ccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40638664,False
15493,COc1ccccc1C(=O)NCC=CCN1CCN(C(NCC=O)c2ccc(CF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.23342375,False
15494,COc1ccccc1N1CCN(CC=CCNC(=O)c2sccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89968586,False
15495,N#Cc1ccc2c(c1)N(CCN1CCN(c3cccc(C(F)(F)F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.5692464,False
15496,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54197145,False
15497,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccc(O)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9492733,False
15498,O=C1N(CC2CCC(Cc3ccccc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6958481,False
15499,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccco1,[*]N1CCN([*])C1=O,0.6609533,False
15500,C=Cc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8581793,False
15501,CC(C)N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.708742,False
15502,CC(C)c1cccc(N2CCN(CC3CCOCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.38901255,False
15503,CCCCN(F)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42511564,False
15504,CCCCN(OC)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6202514,False
15505,CCCCN(c1ccc(C(F)(F)F)cc1)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.32733634,False
15506,CCCN1CCN(C2CCCOC2)C1=O,[*]N1CCN([*])C1=O,0.39913186,False
15507,CCCc1ccc(CCF)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.31579146,False
15508,CCc1ccc(CC)c(C(=O)NCC2CCCN2OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23546605,False
15509,CCc1ccc(OC)c(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27715456,False
15510,CN1CCCC(N2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC1,[*]N1CCN([*])C1=O,0.26436195,False
15511,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2OS(C)(=O)=O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.40607285,False
15512,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79633945,False
15513,COc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.875137,False
15514,COc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4ccc(O)o4)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28680554,False
15515,Cc1cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)ccc1Cl,[*]N1CCN([*])C1=O,0.86319077,False
15516,Nc1c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc2c1-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9110709,False
15517,Nc1c(OCCF)cccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8982157,False
15518,Nc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87793654,False
15519,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7822327,False
15520,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1c(Cl)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47297302,False
15521,O=C(NCc1ccsc1)N1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.11735961,False
15522,O=C1N(CCN2CCCC(c3ccccc3)CC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.7311564,False
15523,O=C1N(CCN2Cc3ccccc3C2)CCN1C(F)(F)OC(F)c1ccccc1,[*]N1CCN([*])C1=O,0.76854163,False
15524,O=C1N(c2cc3ccccc3s2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.26855877,False
15525,CCCCN(CC)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5903032,False
15526,CCCc1cccc2c1OCC(N(CC)Cc1ccc(CO)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5506826,False
15527,CCN1CCCC1CNC(=O)c1c(C)ccc(O)c1OCCF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7218899,False
15528,CN1CC(N2CCN(c3ccccc3)C2=O)CCC1(C)C,[*]N1CCN([*])C1=O,0.41961306,False
15529,COCC1CCCN(CCN2CCN(c3cccc(C(F)(F)F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.792338,False
15530,COc1ccc(-c2cscc2N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63320833,False
15531,COc1ccccc1CNCC(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80442876,False
15532,COc1ccccc1N1CCN(CC=CCNC(=O)c2[nH]cc3cc(OCCF)ccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88655424,False
15533,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(OCCF)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9893955,False
15534,Cc1ccc(F)cc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9304192,False
15535,Cc1ccc(N2CCN(CC3CCCN(C)CC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.3975041,False
15536,Cc1cccc(C(C)NCN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.21468794,False
15537,Cc1ccccc1N1CCN(Cc2cc3ccccc3s2)C1=O,[*]N1CCN([*])C1=O,0.23417132,False
15538,N#Cc1cccc(N2CCN(CC3CCCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.6235557,False
15539,Nc1cc(Cl)cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45504418,False
15540,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccc(OCCF)cc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8823344,False
15541,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ncc(-c2ccccc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88472384,False
15542,O=C(NCC=CCN1CCN(c2cccc3cc[nH]c23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67984676,False
15543,O=C(NCC=CCN1CCN(c2cncc3ccc(OCCF)cc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6042658,False
15544,O=C1N(CCN2CCCCCC2)CCN1c1ccc([N+](=O)[O-])cc1,[*]N1CCN([*])C1=O,0.61303985,False
15545,O=C1N(CCN2CCOCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.49288702,False
15546,O=C1N(CCN2CCc3ccccc3C2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.5245378,False
15547,O=C1N(CCOC2CCCCC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.5142351,False
15548,O=C1N(c2ccc(Cl)cc2)CCN1C1COc2ccccc2C1,[*]N1CCN([*])C1=O,0.41876313,False
15549,O=C1N(c2cccc(Cl)c2)CCN1C1CCCN2CCC1C2,[*]N1CCN([*])C1=O,0.32025626,False
15550,CCCN1c2ccccc2CC2CCC1CNC(N1CCN(c3ccc(F)cc3)C1=O)C2,[*]N1CCN([*])C1=O,0.4987404,False
15551,CCCc1cccc2c1OCC(N(CO)CC1CCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5024889,False
15552,CCN1CCCC1CNC(=O)c1c(C)ccc(S(C)(=O)=O)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.56094277,False
15553,CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1[N+](=O)[O-],[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.13857421,False
15554,COCc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9105636,False
15555,COc1c(C(=O)NCCN2CCN(c3cccn3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.82643706,False
15556,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)s2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9104288,False
15557,O=C(CN1CCN(c2cccc3sccc23)C1=O)NCc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.08061109,False
15558,O=C(NCC=CCN1CCN(c2cccc(O)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48775327,False
15559,O=C(NCC=CCN1CCN(c2cccc3sccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70880336,False
15560,O=C(NCCN1CCN(c2ccc3sccc3c2)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.22404405,False
15561,O=C1CCc2ccc(OCCN3CCN(c4ccc5c(c4)COCC5)C3=O)cc2N1,[*]N1CCN([*])C1=O,0.40119597,False
15562,O=C1N(CC2CCCC3CCC3N2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.4209062,False
15563,O=C1N(CC2CCCCN2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.4245235,False
15564,O=C1N(CCN2CC3CCCC2C3)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.59380496,False
15565,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.77888745,False
15566,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.7817166,False
15567,O=C1N(CCN2CCOCC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.3201024,False
15568,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.8632088,False
15569,O=C1N(CCNC2CC3CCCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.55614465,False
15570,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.49798265,False
15571,O=C1N(c2cccc(Cl)c2)CCN1c1cccc(C2CCNCC2)c1,[*]N1CCN([*])C1=O,0.49141645,False
15572,CC(C)Oc1cccc(N2CCN(C3CCc4ccsc4CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.2940344,False
15573,CC1(C)C2CCCCC1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.85889024,False
15574,CC1CC(C)(C)CCN1CCN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.6855969,False
15575,CC1CC(C)(C)CCN1CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.6075216,False
15576,CC1CCC(N2CCN(Cc3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.40796605,False
15577,CCCCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6132199,False
15578,CCCCc1cccc2c1OCC(N(CC)CC(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.35736433,False
15579,CCCN(CCC)C1COc2c(Cc3cccs3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.74261075,False
15580,CCCN(Cc1ccc(OC)cc1C(F)(F)F)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5720229,False
15581,COc1cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)ccc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42220166,False
15582,COc1ccc2c(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4765964,False
15583,COc1ccc2c(c1)CC(N1CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC1)CC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50311196,False
15584,COc1ccccc1N1CCN(C2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.24451068,False
15585,COc1ccccc1N1CCN(CC=CCNC(=O)OC(C)(C)C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9378293,False
15586,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3cccc(OC)c3o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8720319,False
15587,C[N+]c1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8573485,False
15588,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9577058,True
15589,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1ccncc1,[*]N1CCN([*])C1=O,0.13482681,False
15590,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccn2cccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9094655,False
15591,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2ccc(OCF)cc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8876539,False
15592,O=C1N(CCN2CCCC(c3ccc(Cl)cc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.9260829,False
15593,O=C1N(CCc2cc3ccccc3s2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4630806,False
15594,O=C1N(CCn2cc3ccccc3c2)CCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5021242,False
15595,O=C1N(COCC2CCCNC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5300175,False
15596,C=C(C)CN(c1cccc(C(F)(F)F)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39961293,False
15597,CC(C)NCCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.39978525,False
15598,CCCN(Cc1ccc(C(F)(F)F)cc1)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46759024,False
15599,CCCN(Cc1csc(C)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5602913,False
15600,CCCN1CCc2ccc(N3CCN(c4cccc(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.5833451,False
15601,CCOc1c(C)ccc(Br)c1C(=O)NCC1CCCN1C=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15032683,False
15602,CCc1cccc2c1OCC(N(CC)c1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.51867014,False
15603,CN1CCCCC(CN2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.42701072,False
15604,COc1ccc(-c2cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)on2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84552366,False
15605,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OCc3ccccc3)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36106744,False
15606,Cc1ccsc1N1CCN(CCN2CCCc3sccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5280518,False
15607,N#Cc1ccc2c(c1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.606483,False
15608,O=C(C=Cc1ccc(O)cc1)NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44818553,False
15609,O=C(NCC=CCN1CCN(c2cc(-c3ccc(O)cc3)cs2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3844534,False
15610,O=C(NCC=CCN1CCN(c2ccc3ccc(F)cc3c2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4740841,False
15611,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.88164043,False
15612,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(F)cc2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92240936,False
15613,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1cc(Cl)ccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42289987,False
15614,O=C1N(CCN2CCC(C(F)F)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.93406403,False
15615,O=C1N(CCN2CCCc3sccc3C2)CCN1Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.51926595,False
15616,O=C1N(CCOCc2cccc(Cl)c2)CCN1CCN1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.63863105,False
15617,O=C1N(CCOCc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.74041176,False
15618,O=C1N(CN2CCC(C(F)(F)F)CC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.6968294,False
15619,O=C1N(Cc2cccc(Cl)c2)CCN1CC1CCCCC1,[*]N1CCN([*])C1=O,0.35084116,False
15620,C#Cc1ccc2c(c1)N(C(=O)CN1CCN(c3ccc(Cl)cc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.26722798,False
15621,CC(C)N1CC(CN2CCN(c3cccc(Cl)c3)C2=O)Cc2ccccc21,[*]N1CCN([*])C1=O,0.601065,False
15622,CC(C)OCC1CCCN(CN2CCN(c3ccc(Cl)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.40227923,False
15623,CC1(C)C2CCC1(CNCCN1CCN(Cc3ccccc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.45680374,False
15624,CC1C2CCC(N3CCN(c4cccc(Cl)c4)C3=O)CC1N2CCc1ccccc1,[*]N1CCN([*])C1=O,0.5309155,False
15625,CC1Cc2ccccc2N1CCN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.5406053,False
15626,CCCc1cccc2c1OCC(N(CCC)OC(=O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.51709676,False
15627,CCN(CC)CCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.53326994,False
15628,CCOc1c(C)ccc(C)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1522208,False
15629,COCC1C2CCC1C(CN1CCN(c3ccc(Cl)cc3)C1=O)C2,[*]N1CCN([*])C1=O,0.39727718,False
15630,COc1ccc2[nH]c(C(=O)NCC=CCN3CCN(c4ccc(F)cc4)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36865172,False
15631,COc1ccc2cnc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93589634,False
15632,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3)o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33040062,False
15633,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39719328,False
15634,N#CN1CCN(Cc2cccs2)C1=O,[*]N1CCN([*])C1=O,0.23203047,False
15635,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)o2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35653314,False
15636,O=C(NCC=CCN1CCN(c2ccc(Cl)nc2)CC1)c1ccccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.47670034,False
15637,O=C(NCC=CCN1CCN(c2cccc(CCF)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47364607,False
15638,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cc(Cl)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92269176,False
15639,O=C(NCC=CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(Cl)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.387082,False
15640,O=C(NCC=CCN1CCN(c2cccc3c2-c2ccccc2-c2ccccc2C3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67702115,False
15641,O=C1N(CCn2cccc2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.44330904,False
15642,O=C1N(c2ccc(Cl)c(F)c2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.26589558,False
15643,O=C1NCCC1N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.32986727,False
15644,CC(C)(C)c1nc(N2CCN(CCN3CCc4ccccc4C3)C2=O)cc(C(F)(F)F)n1,[*]N1CCN([*])C1=O,0.6424875,False
15645,CC(C)c1ccc(Cl)cc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.824057,False
15646,CC(C)c1ccc(N2CCN(CCN3CCC4Cc5ccccc5CCC3C4)C2=O)cc1,[*]N1CCN([*])C1=O,0.38808772,False
15647,CCCCCN1CCCC1CNC(=O)c1c(Cl)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5229632,False
15648,CCCc1cccc2c1OCC(N(CC)c1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.57473904,False
15649,CCOc1c(C)ccc(C)c1C(=O)NCC1CCCN1[N+](=O)[O-],[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.12279381,False
15650,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.6795485,False
15651,CNCc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6610933,False
15652,COc1ccc(Br)cc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7024402,False
15653,COc1cccc(-c2cc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)cs2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30168003,False
15654,COc1cccc2c(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)ccnc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8181034,False
15655,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(C)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8175589,False
15656,Cc1ccnc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5062249,False
15657,Nc1ccccc1C(=O)NCC=CCN1CCN(Cc2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31639233,False
15658,O=C(NCC=CCN1CCN(c2c[nH]c3ccc(O)cc23)CC1)c1ccccc1OCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49923995,False
15659,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2OCCF)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63956165,False
15660,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.676372,False
15661,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.8893057,False
15662,O=C1N(CCN2CCC3CCC(Cc4ccccc4C3O)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5998573,False
15663,O=C1N(Cc2ccccn2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.27869156,False
15664,O=C1N(Cc2ccoc2)CCN1C1CCOCC1,[*]N1CCN([*])C1=O,0.33187222,False
15665,CC(C)N1CCN(CCN2CCN(Cc3cc(Cl)ccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.6069951,False
15666,CC(CN1CCN(c2ccc(Cl)cc2)C1=O)N1CCc2ccccc21,[*]N1CCN([*])C1=O,0.3063579,False
15667,CCCN(CO)C1COc2c(cccc2C2CCCN(C(=O)c3ccccc3)C2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3499256,False
15668,CCN(Cc1ccccc1)CN1CCN(CC2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5735634,False
15669,CCN1CCCC1CNC(=O)c1c(SC)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9002074,False
15670,CCOc1c(Br)ccc(Cl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24867576,False
15671,CCc1ccc(C)c(C(=O)NCC2CCCN2SN)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1474096,False
15672,CCc1ccc(O)c(C(=O)NCC2CCCN2C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.28633142,False
15673,CCc1cccc2c1OCC(N(CN)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.48548567,False
15674,CN(Cc1ccc(F)cc1)CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.35047126,False
15675,COc1c(C(=O)NCCN2CCN(C3COCN(c4cccc(Cl)c4)C3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.43952098,False
15676,COc1c(OCCF)cccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccncc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42504147,False
15677,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1N(C)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37076584,False
15678,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3Cl)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87281764,False
15679,N#Cc1cccc(CN2CCN(CCN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.70537674,False
15680,Nc1ccc(CN2CCN(c3cccc(CN4CCCCCC4)c3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.40056187,False
15681,O=C(Cc1cccc(OCCF)c1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7547142,False
15682,O=C(NCc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8453317,False
15683,O=C1N(CCN2CCN(CC(F)(F)F)CC2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.54835534,False
15684,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc2c1CCCCC2,[*]N1CCN([*])C1=O,0.723031,False
15685,O=C1N(CCNCc2ccccc2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.37514052,False
15686,O=C1N(CCOC2CCCCN2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5218959,False
15687,C=CCOc1c(CCC)ccc(CCCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24860096,False
15688,CC(C)N(C)Cc1cccc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.33764723,False
15689,CCCC1CN(CCN2CCN(c3cccc(Cl)c3)C2=O)C2CCC1C2,[*]N1CCN([*])C1=O,0.6702354,False
15690,CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.63601065,False
15691,CCCN1Cc2ccccc2C1N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.539399,False
15692,CCCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.67616445,False
15693,CCCc1cccc2c1OCC(N(CCC)Nc1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.34809157,False
15694,CCCc1cccc2c1OCC(N(CCC)S(=O)(=O)c1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4202258,False
15695,CN1CC2CCC1CCC(N1CCN(c3cccc(Cl)c3)C1=O)Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.5626993,False
15696,CN1CCC(CCN2CCN(c3cc(F)c(F)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.4672543,False
15697,COc1cc(-c2ccccc2)cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39045694,False
15698,COc1cc(-c2ccsc2)ccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5767263,False
15699,COc1cc(Br)cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94916505,False
15700,COc1ccc2scc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49256063,False
15701,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc[nH]c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48131588,False
15702,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40446147,False
15703,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45355648,False
15704,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3O)[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46904463,False
15705,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94989514,False
15706,O=C(NCC=CCN1CCN(c2ccccc2CF)CC1)c1ccc(-c2ccccc2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8070772,False
15707,O=C(NCC=CCN1CCN(c2ccccc2S)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8446734,False
15708,O=C1N(CC2CCOCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5276753,False
15709,O=C1N(CC2CCc3sccc3C2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.5267895,False
15710,O=C1N(c2cccc(Cl)c2)CCN1c1ccc2c(c1)C(c1ccsc1)CNCC2,[*]N1CCN([*])C1=O,0.44548482,False
15711,CC(c1cccc(Cl)c1)N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.6782318,False
15712,CC1(C)C2CCC1(CNCCN1CCN(c3cccc4c3OCO4)C1=O)CC2,[*]N1CCN([*])C1=O,0.4365764,False
15713,CCCc1cccc2c1OCC(N(CC)CC(=O)c1ccc(C)s1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.28632554,False
15714,CCN1CCCC1CNC(=O)c1c(SC)ccc(Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8785789,False
15715,CN(C)CCCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.77235705,False
15716,CN1CCOCc2cc(N3CCN(c4cccc(Cl)c4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.44534853,False
15717,COC(C)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8968804,False
15718,COc1ccc(C)c(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)[nH]2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8462845,False
15719,COc1cccc(C(N)c2ccccc2C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8458486,False
15720,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(C)ccc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46267295,False
15721,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(F)cc3)o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3627995,False
15722,COc1ccccc1N1CCN(CC=CCNC(=O)N(C)Cc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7806179,False
15723,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cn[nH]c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9751629,False
15724,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3nc(F)ccc3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8368317,False
15725,Cc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3C)CC2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3167503,False
15726,Cc1cccc(N2CCN(CCN3CCCc4ccsc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.71392316,False
15727,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)c1cccc(F)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49901107,False
15728,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Br)c(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88855934,False
15729,O=C(NCC=CCN1CCN(c2ccsn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49762562,False
15730,O=C(NCC=CCN1CCN(c2ncc[nH]2)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46049425,False
15731,O=C1N(CC2CCc3ccsc3CC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.4003096,False
15732,O=C1N(CCN2COc3ccccc3C2)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.69899887,False
15733,O=C1N(Cc2ccc(Cl)c(Cl)c2)CCN1CC1CCCCC1,[*]N1CCN([*])C1=O,0.36181936,False
15734,O=C1N(c2ccc3c(c2)OCO3)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.14732774,False
15735,C=CCN1CCCC1CNC(=O)c1c(OC)ccc(SCC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5776142,False
15736,CC(=O)NC1CCC(N2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.20784119,False
15737,CC(C)N1CCN(CCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.81979454,False
15738,CCCN(CCCCN1C(=O)CC2(CCCCC2)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.65683323,False
15739,CCCOOc1c(O)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.760097,False
15740,CCOc1c(OC)ccc(O)c1C(=O)NCC1CCCN1[O-],[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18874082,False
15741,COCc1ccc2c(c1)N(C(=O)CN1CCN(c3ccccc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.20585093,False
15742,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cc[nH]c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39149344,False
15743,COc1ccc2sc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)nc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7172523,False
15744,COc1cccc(N2CCN(C3CCCOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.23459476,False
15745,COc1cccc(N2CCN(CC3CCCC4CC(C3)CC4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.47858888,False
15746,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44131383,False
15747,COc1ccccc1C(=O)NCC=CCN1CCN(c2nccc3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3630707,False
15748,COc1ccccc1N1CCN(CC2CCCNC2)C1=O,[*]N1CCN([*])C1=O,0.3337214,False
15749,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2[N+](=O)[O-])CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83512163,False
15750,N#CCc1cccc(N2CCN(CN3CCN(Cc4cccc(Cl)c4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.496289,False
15751,N#CN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37622935,False
15752,Nc1ccc(-c2ccccc2)nc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82905215,False
15753,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccc1Cc1ccccc1-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80657685,False
15754,O=C1N(CC2CCCCN2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.55620706,False
15755,O=C1N(CC2CCCCN2CCc2ccc(Cl)cc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6331754,False
15756,O=C1N(CCN2Cc3cccc(Cl)c3C2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.5399136,False
15757,O=C1N(Cc2ccccc2)CCN1C1CNOC1,[*]N1CCN([*])C1=O,0.37900114,False
15758,CC(C)c1cccc(N2CCN(CCN(C)Cc3ccc4ccccc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.6051627,False
15759,CCCC1CN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC2Cc3ccccc3CN1C2,[*]N1CCN([*])C1=O,0.7233332,False
15760,CCCCN(CC)C1COc2c(cccc2Oc2cccc(C(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.59106076,False
15761,CCCN(Cn1cccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.66763395,False
15762,CCCn1cccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8047502,False
15763,CCN1CCCC1CNC(=O)c1c(OC)ccc([SH](C)O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.91987395,False
15764,CCN1CCN(Cc2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.2707945,False
15765,COC1=CC=C(c2ccccc2)COC=CC(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)=C1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7079202,False
15766,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)o2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67075986,False
15767,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(C)cn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37910852,False
15768,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc([N+](=O)[O-])cn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80197155,False
15769,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4F)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6563899,False
15770,Cc1cccc(N2CCN(CCN3CCCCC4CCCC43)C2=O)c1,[*]N1CCN([*])C1=O,0.51037234,False
15771,Cc1ccsc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32705292,False
15772,N#Cc1cccc(CN2CCN(C3COOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.45957863,False
15773,O=C(NCC=CCN1CCN(C(=O)c2cccnc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.20551719,False
15774,O=C(NCC=CCN1CCN(C2CCc3ccc(O)cc3C2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55331945,False
15775,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(NC(=O)c2cccc(Cl)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7539066,False
15776,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(N[N+](=O)[O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8624261,False
15777,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47803178,False
15778,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)CCCO2,[*]N1CCN([*])C1=O,0.78422207,False
15779,O=C1N(CCNCC23CCC(Cc4ccccc4C2)C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.449393,False
15780,O=C1N(Cc2cccc(Cl)c2)CCN1C1CCCc2ccccc21,[*]N1CCN([*])C1=O,0.45328268,False
15781,CCCCc1cccc2c1OCC(N(CCC)c1ccc(C)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4670001,False
15782,CCN(CC)CCN1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.7389778,False
15783,CCOCN1CCN(CC)C1=O,[*]N1CCN([*])C1=O,0.25928953,False
15784,CCc1ccc(Br)c(C(=O)NCC2CCCN2Cl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2683071,False
15785,CN1CCc2ccc(N3CCN(c4cc(F)c(F)c(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.40137184,False
15786,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(C)c2[N+](=O)[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3060727,False
15787,COc1ccc2ccc(OCCF)cc2c1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3829295,False
15788,COc1cccc(N2CCN(CC=CCNC(=O)c3ccc(-c4ccncc4)cc3)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35950002,False
15789,COc1cccc(N2CCN(CC=CCNC(=O)c3ccccn3)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4209084,False
15790,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9150368,False
15791,COc1ccccn2ccc(c1)c2C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76958555,False
15792,Cc1cccc(C)c1C1CCCCN1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.3988327,False
15793,Cc1cccc(CN2CCN(Cc3ccc(Cl)cc3)C2=O)n1,[*]N1CCN([*])C1=O,0.1825849,False
15794,Cc1ccccc1-c1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7490941,False
15795,Cc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6940237,False
15796,O=C(NCC=CCN1CCN(c2cc3cc(OCCF)ccc3s2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4300313,False
15797,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1CC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84836704,False
15798,O=C1N(CC2CCCCC2c2ccccc2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.4387099,False
15799,O=C1N(CCN2CC3CCC2Cc2ccccc2C3)CCN1Cc1ccccc1Cl,[*]N1CCN([*])C1=O,0.54584825,False
15800,O=C1N(CCN2CC=Cc3ccsc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.73344815,False
15801,O=C1N(CCN2CCCc3ccsc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8502483,False
15802,O=C1N(CCOc2ccc(Cl)cc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.69923306,False
15803,O=C1N(Cc2cccc(CF)c2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.33821693,False
15804,O=C1N(Cc2cccs2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.36617896,False
15805,CCN(C)c1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8216641,False
15806,CCN1CCN(CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.47568128,False
15807,CCc1ccc(OC)c(OCCCCCl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.3092423,False
15808,CN(C)c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43135878,False
15809,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cc(C)ccc2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34977287,False
15810,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc([N+](=O)[O-])cc2[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3604972,False
15811,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3nc(O)ccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7792487,False
15812,Nc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70246404,False
15813,O=C(NCC=CCN1CCN(c2cc(Oc3ccccc3)cs2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39797923,False
15814,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1sc2ccccc2c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4957399,False
15815,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5670797,False
15816,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1=Cc2ccc(cc2)O1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89791363,False
15817,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5682224,False
15818,O=C(NCC=CCN1CCN(c2nc(O)cc3ccccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.344119,False
15819,O=C1N(CC2CC3CCCCC3CN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.59951335,False
15820,O=C1N(CCN2CC3CCCC(C3)C2c2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7053466,False
15821,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cc(O)cc(Cl)c1,[*]N1CCN([*])C1=O,0.728228,False
15822,O=C1N(CCN2CCC(c3ccccc3)CC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.8604117,False
15823,O=C1N(CCN2CCC3CCC(C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7978487,False
15824,O=C1N(CCN2CCCCCC2C(F)(F)F)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.44299608,False
15825,O=C1N(CCN2CCN3CCC4CCC(Cc5ccccc5C4)C32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6503551,False
15826,O=C1N(CCN2CCc3sccc3C2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.66681284,False
15827,O=C1N(c2cccc(Cl)c2)CCN1C1CC2CCC(C1)N(Cc1ccccc1)C2,[*]N1CCN([*])C1=O,0.50866675,False
15828,O=C1N(c2cccc(Cl)c2)CCN1C1CC2CNC(Cc3ccccc3C2)C1,[*]N1CCN([*])C1=O,0.39744744,False
15829,CC(CN1CCN(c2cccc(F)c2)C1=O)N1CCCCCC1,[*]N1CCN([*])C1=O,0.3226093,False
15830,CC1CCCc2snc(CN3CCN(Cc4ccccc4)C3=O)c21,[*]N1CCN([*])C1=O,0.3460187,False
15831,CCCN(CCCF)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.76867473,False
15832,CCCN(Cn1ccc(C(F)(F)F)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6052944,False
15833,CCCc1cccc2c1OCC(N(CC)CS(=O)(=O)c1ccco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4168728,False
15834,CCc1ccc(C)c(C(=O)NCC2CCCN2S(C)(=O)=O)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.09954027,False
15835,COCC1NCCCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5082172,False
15836,COc1ccc(N2CCN(CC=CCNC(=O)c3ccc(-c4ncccc4C)cc3)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52881604,False
15837,COc1ccc2nc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37726837,False
15838,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc3c2Cc2ccccc2-c2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6882546,False
15839,C[s+]1cc(N2CCN(CC3CCCCC3)C2=O)cn1,[*]N1CCN([*])C1=O,0.3012689,False
15840,Cc1ccc(N2CCN(CN3CCCCC3c3ccccc3)C2=O)s1,[*]N1CCN([*])C1=O,0.31732,False
15841,Cc1cccc(N2CCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.38021886,False
15842,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cnc2ccccc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5234027,False
15843,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NC(=O)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91060436,False
15844,O=C(NCC=CCN1CCN(c2cccc(Cl)c2O)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76787734,False
15845,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc2c1-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83453804,False
15846,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.8095781,False
15847,O=C(NCC=CCN1CCN(c2ncc[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4224009,False
15848,O=C1N(CC2CCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.62777454,False
15849,O=C1N(CCN2CCCc3sccc3C2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.6357018,False
15850,O=C1N(CCN2CCNCC2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.57138485,False
15851,O=C1N(CCNCc2csc3ccccc23)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.3991185,False
15852,CC(C)C1CN(CCN2CCN(c3ccc(Cl)cc3)C2=O)CCN1,[*]N1CCN([*])C1=O,0.6613409,False
15853,CC1CCCCN(CCN2CCN(Cc3ccc(Cl)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.48159152,False
15854,CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.35908094,False
15855,CCN1CCCC1CNC(=O)c1c(OC)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.93201107,False
15856,CN1CCC(CN2CCN(c3ccc(F)cc3)C2=O)NC1,[*]N1CCN([*])C1=O,0.48845476,False
15857,COCC1C2CCCC1CN(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.6168148,False
15858,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(F)c(O)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6537767,False
15859,COc1cccc(CCN2CCN(c3cc(Cl)ccc3F)C2=O)c1,[*]N1CCN([*])C1=O,0.38954708,False
15860,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3cc(F)ccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38693243,False
15861,Cc1cccc(C)c1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38445783,False
15862,Cc1cccc(CN2CCN(c3ccc(C)nc3C)C2=O)c1,[*]N1CCN([*])C1=O,0.23623212,False
15863,Cc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72946095,False
15864,Cc1ccccc1N1CCN(CCN2CCC(C)NC2)C1=O,[*]N1CCN([*])C1=O,0.636691,False
15865,O=C(CCNc1ccccc1)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6381232,False
15866,O=C(NCC=CCN1CCN(c2cc(O)ccn2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46943012,False
15867,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1csc(-c2ccccc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8974856,False
15868,O=C(NCC=CCN1CCN(c2cccc(F)n2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46881178,False
15869,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5031745,False
15870,O=C1CCC(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)=CC=C1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3890168,False
15871,O=C1N(CC(F)(F)C2CCN(Cc3ccccc3)CC2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.62332165,False
15872,O=C1N(CCN2CCCCCC2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.77899015,False
15873,O=C1N(CCOc2ccccc2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.47946987,False
15874,O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.6408268,False
15875,O=C1N(Cc2cccc(OC3CCCNC3)c2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.34322745,False
15876,O=C1N(c2cccc(OC(F)(F)F)c2)CCN1C1CCc2ccsc2CC1,[*]N1CCN([*])C1=O,0.3739714,False
15877,CC(C)ON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([N+](=O)[O-])c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.28281727,False
15878,CC1CCCN(CCN2CCN(Cc3ccc(Cl)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.66315717,False
15879,CCCCN(CS(=O)(=O)C(F)(F)F)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51247025,False
15880,CCOCCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.72436553,False
15881,COCC1C2CCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC1CC2,[*]N1CCN([*])C1=O,0.8508892,False
15882,COCC1CCCN1C(=O)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.29463604,False
15883,COc1cccc(CNC(=O)CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.16743326,False
15884,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cnc(F)nc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47135454,False
15885,CSc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40372282,False
15886,O=C(NCC=CCN1CCN(c2cccc(-c3cccc(Cl)c3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46222916,False
15887,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccn1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85093856,False
15888,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cc(-c2ccc(F)cc2)ccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71971834,False
15889,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccnc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7522218,False
15890,O=C1N(CC2CCCCC3Cc4ccccc4CCN32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5964588,False
15891,O=C1N(CC2CCc3sccc3C2O)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4932323,False
15892,O=C1N(CCN2CCC3(CCc4ccccc4C3)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.607165,False
15893,O=C1N(CCN2CCCc3ccccc3C2)CCN1COc1ccccc1,[*]N1CCN([*])C1=O,0.6708883,False
15894,O=C1N(CCOc2cccc(Cl)c2)CCN1CCOC1CCCCC1,[*]N1CCN([*])C1=O,0.52406496,False
15895,O=C1N(c2cccc(-c3cccs3)c2)CCN1C1CCCC(c2ccccc2)C1,[*]N1CCN([*])C1=O,0.2616885,False
15896,O=C1N(c2cccc(Cl)c2)CCN1C1CCN(Cc2ccc(F)cc2)CC1,[*]N1CCN([*])C1=O,0.7290508,False
15897,O=C1N(c2cccc(Cl)c2)CCN1C1CCNC2Cc3ccccc3CCC21,[*]N1CCN([*])C1=O,0.4010768,False
15898,CC(C)N1CCN(CN2CCN(CC3CCOOC3)C2=O)CC1,[*]N1CCN([*])C1=O,0.31966,False
15899,CCCc1cccc2c1OCC(N(CCC)c1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.7234044,False
15900,CCCc1cccc2c1OCC(N(CNC(C)=O)COC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.34555674,False
15901,CCN(CC(C)C)C1COc2c(cccc2S(=O)(=O)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37616056,False
15902,CCOc1ccc(CC)c(C(=O)NCC2CCCN2C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.28439716,False
15903,CN(CN1CCN(c2ccccc2Cl)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.4419046,False
15904,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ncccc3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40154657,False
15905,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c2cccc(O)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.609993,False
15906,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccn3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.428482,False
15907,COc1ccc(Cl)c(N2CCN(CC3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.38757357,False
15908,COc1ccc2cc(N3CCN(CC=CCNC(=O)c4cccc(F)c4)CC3)[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36324972,False
15909,COc1ccccc1C(=O)NCC=CCN1CCN(C=Cc2ccc([N+](=O)O)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.20965987,False
15910,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3ccccc3cc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54594934,False
15911,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(C)cc2N)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49437,False
15912,COc1ccccc1C(=O)NCC=CCN1CCN(c2csc(-c3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36690083,False
15913,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88473064,False
15914,O=C(NCC=CCN1CCN(c2cc(-c3ccccc3)no2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4173356,False
15915,O=C(NCC=CCN1CCN(c2cc(Br)ccc2OCCF)CC1)c1ccccc1COCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49976596,False
15916,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cccc(F)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59493554,False
15917,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccc(O)cc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92023677,False
15918,O=C1N(CC(=O)N2CCc3ccccc32)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.1606313,False
15919,O=C1N(CC(F)(F)C2CCN(Cc3ccccc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.79348046,False
15920,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.9100854,True
15921,CC(C)N1CCc2cc(CN3CCN(c4cccc(C#N)c4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.4287333,False
15922,CC1(C)CCC2(CN3CCN(c4cccc(Cl)c4)C3=O)CC(C1)C2,[*]N1CCN([*])C1=O,0.5372017,False
15923,CCCCN(CC)C1COc2c(cccc2C(=O)c2cc(C)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.27394065,False
15924,CCCOc1c(OC)ccc(SC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.29799914,False
15925,CCN(CC(=O)O)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3039587,False
15926,CN(CC1CC(C)(C)C2CC1N(C)C2)CN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.58283687,False
15927,COc1c(C(=O)NCCN2CCN(c3ccc(N)cc3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7875648,False
15928,COc1ccc(CN2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.45901144,False
15929,COc1cccc(CCN2CCN(CCN3CC4CCCC3Cc3ccccc3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.57036704,False
15930,COc1ccccc1C(=O)NCC=CCN1CCN(c2c[nH]c3ccc(OCCF)cc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5158462,False
15931,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc3c2Cc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67693126,False
15932,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccccc3)n[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6908348,False
15933,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2-c2ccc[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80705297,False
15934,Cc1c(C(=O)NCCN2CCN(Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3575584,False
15935,Cc1cccc2c1OCC(N(CC(C)C)c1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.47464827,False
15936,O=C(NCC=CCN1CCN(c2cc3cc(O)ccc3cn2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42555967,False
15937,O=C(NCC=CCN1CCN(c2ccc(O)c(Cl)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49199563,False
15938,O=C(NCC=CCN1CCN(c2ccc3c(c2)OCOC3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41819367,False
15939,O=C(NCC=CCN1CCN(c2cccc3c2-c2ccccc2CC3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7277626,False
15940,O=C1N(CCN2CCCC(c3cccs3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.88740367,False
15941,O=C1N(Cc2ccccc2)CCN1CC1CCCCNC1,[*]N1CCN([*])C1=O,0.41990948,False
15942,O=C1N(Cc2cccnc2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.29052985,False
15943,CC(C)c1cccc(N2CCN(CC(=O)N3Cc4ccccc4C3C)C2=O)c1,[*]N1CCN([*])C1=O,0.30832657,False
15944,CC1CCCCCN1CCN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.38001406,False
15945,CCCN1CCc2ccccc2C1CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.5245661,False
15946,CCCc1cccc2c1OCC(N(CCC)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5013774,False
15947,CCOc1ccc(Br)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8664788,False
15948,CN(C)CC12CCC(CC1N1CCN(c3cccc(Cl)c3)C1=O)CC2(C)C,[*]N1CCN([*])C1=O,0.59837383,False
15949,CN1Cc2ccccc2CC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.58760464,False
15950,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(Br)c2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38885808,False
15951,COc1ccc2cc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)cnc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34713823,False
15952,COc1ccccc1-c1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77114713,False
15953,Cc1c(O)cccc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3767346,False
15954,Cc1cccc(N2CCN(CCNCC3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.33491614,False
15955,Cc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63828653,False
15956,N#Cc1cc(N2CCN(C3CCN(Cc4ccncc4)CC3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.6739752,False
15957,Nc1ccc(OCCF)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8849906,False
15958,O=C(CN1CCN(C2CCCCC2)C1=O)N1CCc2ccccc21,[*]N1CCN([*])C1=O,0.13131158,False
15959,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50297666,False
15960,O=C(NCC=CCN1CCN(c2ccc3ccccc3c2)CC1)c1cccc(Cl)c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5227425,False
15961,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccco1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8467756,False
15962,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cnc(-c2ccccc2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89854074,False
15963,O=C(NCC=CCN1CCN(c2csc3ccccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51906264,False
15964,O=C1N(CC2CCCCN2)CCN1c1cccc([O-])c1,[*]N1CCN([*])C1=O,0.65039754,False
15965,CC(C)c1cccc2c1OCC(N(CO)CCO)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4721893,False
15966,CC(F)(F)N1CCN(c2ccc3c(c2)CCN3Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.39170703,False
15967,CC1CCCCN(CCN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.62588716,False
15968,CCCC1C2CCC1(CN1CCN(c3ccc(C)cc3)C1=O)NCC2(C)C,[*]N1CCN([*])C1=O,0.21275431,False
15969,CCCSN1CCCC1CNC(=O)c1c(SC)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20293131,False
15970,CCCc1cccc2c1OCC(N(CCC)C(C)(C)c1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.63824934,False
15971,CCN(CC(C)C)C1COc2c(cccc2Oc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5551384,False
15972,CCOc1c(C)ccc(Br)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14124125,False
15973,CCc1ccc(CC)c(C(=O)NCC2CCCN2C)c1OSO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2151646,False
15974,COCc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8772986,False
15975,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc([N+](=O)[O-])cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33608243,False
15976,COc1cc(F)cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97532123,False
15977,Cc1ccc(O)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9040382,False
15978,Cc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4024029,False
15979,Cc1cccc(CN2CCN(CC(F)(F)c3cccs3)C2=O)c1,[*]N1CCN([*])C1=O,0.30517262,False
15980,O=C(NCC=CCN1CCN(c2ccc3cc(Cl)ccc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47317868,False
15981,O=C(NCC=CCN1CCN(c2cccc(Cl)n2)CC1)c1cccc(Cl)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50824165,False
15982,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(-c2ccc(OCCF)cc2)cs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93786,False
15983,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5279833,False
15984,O=C1N(c2ccc3c(c2)-c2ccccc2C3)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.3723138,False
15985,O=C1N(c2cccc(Cl)c2)CCN1c1cccc(OCC2CCCCC2)c1,[*]N1CCN([*])C1=O,0.45910016,False
15986,[N+]c1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90422434,False
15987,CC1(C)CCC2C(CCN2CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.5538529,False
15988,CC1C2C(C)(C)CC2(C)CCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7493,False
15989,CC1CCC2CC(C)(C)CC(C1)N2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.753387,False
15990,CCCN(C(C)C)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5943311,False
15991,CCCN(C1COc2c(cccc2C(C)C)C1)S(=O)(=O)c1ccc(C(F)(F)F)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.3475992,False
15992,CCCN(CCC)C1COc2c(cccc2C(=O)c2cccc(O)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.64411294,False
15993,CCCN(Cc1ccsc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.63914025,False
15994,CCCN(O)C1COc2c(cccc2CC(C)(C)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6492918,False
15995,CCN(C)CCN1CCN(c2ccccc2OC)C1=O,[*]N1CCN([*])C1=O,0.5216459,False
15996,CN(C)CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5310535,False
15997,CN(Cc1cc2ccccc2s1)CN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.42650256,False
15998,COc1c(C(=O)NCCN2CCN(c3cccc(Oc4ccc(C)cc4)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.6942003,False
15999,COc1ccc(OCCF)c(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5101004,False
16000,COc1ccccc1C(=O)NCC=CCN1CCN(OCc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.24933581,False
16001,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c3cccc(OCCF)c23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95314896,False
16002,Cc1sccc1N1CCN(CCN2CCCc3sccc3C2)C1=O,[*]N1CCN([*])C1=O,0.49825096,False
16003,O=C(NCC=CCN1CCN(c2cc(-c3ccccc3)co2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39601895,False
16004,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(Cl)cc3)nc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45778483,False
16005,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1cc(Cl)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50708497,False
16006,O=C(NCC=CCN1CCN(c2cccc3c2Cc2ccccc2C3=O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55521446,False
16007,O=C(NCC=CCN1CCN(c2csc3cc(OCCF)ccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5079089,False
16008,O=C1N(CC2CCc3ccccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5120847,False
16009,O=C1N(CCNCC2CCCCC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.3093011,False
16010,O=C1N(c2ccccc2)CCN1c1ccccc1COC1CCCCC1,[*]N1CCN([*])C1=O,0.34314567,False
16011,C=CCc1cccc2c1OCC(N(CO)CCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.58331925,False
16012,CC(C#N)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.81721157,False
16013,CC1NCCCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.42424583,False
16014,CCCN(CCC)C1COc2c(CCn3ccc(C(F)(F)F)cc3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62295866,False
16015,CCCN(CCl)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57203156,False
16016,CCCN(Cc1ccc(C(F)(F)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6376889,False
16017,CCN(C)c1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73630136,False
16018,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(Cl)cc2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.412151,False
16019,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3F)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36346915,False
16020,COc1ccc2c(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)cccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7115064,False
16021,COc1cccc(C)c1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34719023,False
16022,COc1ccccc1C=CC(=O)NCC=CCN1CCN(c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8319105,False
16023,Cc1cccc(N2CCN(CCN3CCCC(C(F)(F)F)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7791083,False
16024,Cc1cnccc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9163446,False
16025,Nc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5102461,False
16026,O=C(NCC=CCN1CCN(c2c(O)ccc3ccccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3525011,False
16027,O=C(NCC=CCN1CCN(c2c[nH]c3cc(O)ccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5606281,False
16028,O=C(NCC=CCN1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49633107,False
16029,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)N1CCC(c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6770433,False
16030,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(CCO)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86401385,False
16031,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc2cc(OCCF)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96018463,False
16032,O=C(NCC=CCN1CCN(c2cccnc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48458615,False
16033,O=C1N(CCNCc2ccc3ncccc3c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.33017635,False
16034,O=C1N(CCn2ccc(Cl)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.74515474,False
16035,O=C1N(CNc2ccccn2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.2199443,False
16036,O=C1N(Cc2cccs2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.3436949,False
16037,C=C(CN(CCC)C1COc2c(CC)cccc2C1)c1ccsc1,[*]CN([*])C1COc2c([*])cccc2C1,0.4806114,False
16038,CC(C)N1CCN(c2cc(F)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.18948925,False
16039,CC(CN1CCN(c2cccc(Cl)c2)C1=O)C1CNCc2ccccc21,[*]N1CCN([*])C1=O,0.65218145,False
16040,CCCCN(c1ccccc1OC)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48371863,False
16041,CCN1CCN(CC2COCCN2)C1=O,[*]N1CCN([*])C1=O,0.2616137,False
16042,CCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15670697,False
16043,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([N+])c2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3818355,False
16044,COc1ccc(N2CCN(CC=CCNC(=O)c3ccc(OCCF)cc3)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39711004,False
16045,COc1ccc([O-])cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.918872,False
16046,COc1cccc(N2CCN(CC3CCC4Cc5ccccc5CCCN4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.5925661,False
16047,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(C)cc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.509877,False
16048,O=C(NCC=CCN1CCN(c2c[nH]c3ccccc23)CC1)c1cccc(C(F)(F)F)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6580755,False
16049,O=C(NCC=CCN1CCN(c2cc(Cl)ccc2OCCF)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.575241,False
16050,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(Br)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8686053,False
16051,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccnc1-c1ccsc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8709566,False
16052,O=C(NCC=CCN1CCN(c2cccc(O)c2)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5503939,False
16053,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc2cnc(O)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92461497,False
16054,O=C(NCC=CCN1CCN(c2cnc3cc(F)ccc3c2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4153485,False
16055,O=C1N(CC2Cc3ccccc3CC3CCN3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6644961,False
16056,O=C1N(CCOCC2CCCc3ccccc32)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.71315956,False
16057,O=C1N(CCc2cccc(Cl)c2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.41681036,False
16058,O=C1N(CCc2nc3ccccc3s2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.44930553,False
16059,O=C1N(Cc2ccccn2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.32104805,False
16060,CC(C)Oc1cccc(N2CCN(C(=O)NCc3ccc(F)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.11527624,False
16061,CC(O)CN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.3299767,False
16062,CCC(C)NCc1cccc(N2CCN(c3cccc(C(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.22246352,False
16063,CCCCN(CC)C1COc2c(Cc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5569269,False
16064,CCCCN(CC)C1COc2c(cccc2-c2ccc(OC(C)=O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40934044,False
16065,CCCN(C(C)C)C1COc2c(cccc2C(F)(F)c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7136163,False
16066,CCCN(CCC)C1COc2c(cccc2Oc2ccc3ccc(C(=O)O)cc3c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4474603,False
16067,CCCN(SCC)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6283738,False
16068,CCOc1ccccc1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.40874964,False
16069,CCc1ccc(C)c(OCSC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17155251,False
16070,CN1CCCC(N2CCN(c3cccc(C(F)(F)F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.38512245,False
16071,CNN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.44432417,False
16072,COCC1Cc2ccccc2N1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.581479,False
16073,COc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2ccccc2C(=O)c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66444296,False
16074,COc1ccc2[nH]cc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4OC)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5800494,False
16075,Cc1ccc(O)c(OCl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18048237,False
16076,Nc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9468064,False
16077,O=C(Cc1ccc(-c2ccccc2)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77867067,False
16078,O=C(NCC=CCN1CCN(c2ccc3ncccc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4758669,False
16079,O=C(NCC=CCN1CCN(c2cncnc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50154483,False
16080,O=C1N(CCN2CCC3CCc4ccccc4CC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7285055,False
16081,O=C1N(CCN2CCCc3sccc3C2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.65012515,False
16082,O=C1N(Cc2cccc(Cl)c2)CCN1CC1CCCNC1,[*]N1CCN([*])C1=O,0.36217818,False
16083,O=C1N(Cc2ccccc2)CCN1Cc1ccccc1Cl,[*]N1CCN([*])C1=O,0.32786423,False
16084,C=S(=O)(O)Oc1c(C)ccc(CC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16561338,False
16085,CC(C)N1CCN(CCN2CCN(c3ccc4ccccc4c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8300794,False
16086,CC1(C)CN2CCC1CCC2CN1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.364987,False
16087,CC1CCCN(CN2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.42324373,False
16088,CCCC1C(=O)C2(CCCC2)C(=O)NC1Cc1cccc2c1OCC(N(CO)CCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.39416128,False
16089,CCCN(CO)C1COc2c(CC3CCCC4(CCC(=O)C4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45402172,False
16090,CCCN(Cn1cc(C(F)(F)F)sc1=O)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52417153,False
16091,CCCSCOc1c(OC)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22329758,False
16092,CCN(Cc1ccco1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39329082,False
16093,CCNC(=O)Oc1c(OC)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2532633,False
16094,CCOc1c(C)ccc(SC)c1C(=O)NCC1CCCN1F,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.13092889,False
16095,CCc1ccc(C)c(C(=O)NCC2CCCN2S)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16814888,False
16096,CN1CCCCC(N2CCN(c3cccc(F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.3776514,False
16097,COc1cc(Br)cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92157024,False
16098,COc1cccnc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.410407,False
16099,Cc1cccc(N2CCN(CCN3CCCC4CCC3CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.5746278,False
16100,Nc1cccnc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86704785,False
16101,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(O)n3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.439513,False
16102,O=C(NCC=CCN1CCN(c2ccc(-c3ncc[nH]3)cc2)CC1)c1cccc(Cl)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56207484,False
16103,O=C(NCC=CCN1CCN(c2ccccc2-c2ccc(O)nc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8399117,False
16104,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccncc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.98774445,False
16105,O=C1N(CCN2CCCC(c3ccccc3Cl)C2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.719422,False
16106,CCCCCN(CC)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.58025604,False
16107,CCCN1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.82963216,False
16108,CN(CCN1CCN(c2ccc(F)cc2)C1=O)Cc1ccccc1,[*]N1CCN([*])C1=O,0.59881335,False
16109,CN1CCc2cc(CN3CCN(c4ccccc4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.41566804,False
16110,COc1c(C(=O)NCCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.87786007,False
16111,COc1c[nH]c(-c2cccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.808006,False
16112,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64213157,False
16113,COc1cccc(-c2cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c[nH]2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85798335,False
16114,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cccc(Cl)c3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46356302,False
16115,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cccc(F)n3)cc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46707875,False
16116,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccn(-c3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4181086,False
16117,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c(-c3ccc(O)cc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87131137,False
16118,Cc1ccc(N2CCN(CN(C)Cc3cc4ccccc4s3)C2=O)cc1,[*]N1CCN([*])C1=O,0.31325507,False
16119,Cc1cccc(N2CCN(CC(C)N3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.29984915,False
16120,O=C(NCC=CCN1CCN(c2ccc(O)c(OCCF)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49059415,False
16121,O=C(NCC=CCN1CCN(c2cccc(-c3ccccc3O)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49239853,False
16122,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NCCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90962034,False
16123,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c2cc(OCCF)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8823479,False
16124,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cccc(F)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9616984,False
16125,O=C(NCCF)c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4990229,False
16126,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(Cl)nc1,[*]N1CCN([*])C1=O,0.8632311,False
16127,O=C1N(Cc2cccnc2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.31701428,False
16128,O=C1N(c2cccc(F)c2)CCN1C1CCCCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3332319,False
16129,C=CCc1ccc(C)c(OCCCC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14640477,False
16130,CC1(C)CCCCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.39137146,False
16131,CCCCN(CC)C1COc2c(cccc2S(=O)(O)=Nc2cccc(C(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.38451004,False
16132,CCCCN(c1ccc(N(C)C)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47300962,False
16133,CCCCN(c1cccs1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52606803,False
16134,CCCc1ccc(CCC)c(C(=O)NCC2CCCN2C)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.29115662,False
16135,CCCc1cccc2c1OCC(N(CC)Cc1ccc[nH]1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6275206,False
16136,CCOc1c(C)ccc(Br)c1C(=O)NCC1CCCN1[SH](C)O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.13948452,False
16137,CN(C)Cc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95085907,False
16138,CN1CCCCC1N1CCN(C2CCOOC2)C1=O,[*]N1CCN([*])C1=O,0.26849967,False
16139,CN1CCc2ccc(N3CCN(c4cccc(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.51962095,False
16140,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(C)cn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6742869,False
16141,COc1cc(Cl)cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9239126,False
16142,COc1ccccc1CN1CCN(CN2CCN(C3COOC3)C2=O)CC1,[*]N1CCN([*])C1=O,0.42340845,False
16143,Cc1cccc(C(C)NCCN2CCN(c3cccs3)C2=O)c1,[*]N1CCN([*])C1=O,0.2667422,False
16144,Cc1cccc(CNCN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.38467503,False
16145,O=C(NCC=CCN1CCN(c2c[nH]c3ccccc23)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5422984,False
16146,O=C(NCC=CCN1CCN(c2ccc(-c3ccncc3)cc2)CC1)c1ccccc1C(F)(F)F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5326647,False
16147,O=C(NCC=CCN1CCN(c2ccc(O)cc2[N+](=O)[O-])CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50719386,False
16148,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cccc(Cl)c2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85768706,False
16149,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83331996,False
16150,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1sccc1-c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8093858,False
16151,O=C1N(CCN2CCCCC3c4ccccc4CC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7089117,False
16152,CC1CC(=O)Nc2c1cccc2N1CCN(CC2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.37519062,False
16153,CCCCN(C(C)=O)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41068456,False
16154,CCCCN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OCCCF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.37082073,False
16155,CCCCOc1c(SC)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6306486,False
16156,CCCc1cccc2c1OCC(N(CC)CC(=O)c1ccc[nH]1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.34378377,False
16157,CCOc1ccc(CC)c(C(=O)NCC2CCCN2C)c1OSC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22265713,False
16158,CN1CCCCC(N2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.42877808,False
16159,CNCC[N+]1CCC(N2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.46450004,False
16160,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(C#N)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.41092885,False
16161,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OCc2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.42665032,False
16162,COc1cc2cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)ccc2cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8568417,False
16163,COc1ccc(-c2cccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41606262,False
16164,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(OCCF)cc3)CC2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3435914,False
16165,COc1cccc(CN2CCN(C)C2=O)c1,[*]N1CCN([*])C1=O,0.3706054,False
16166,COc1cccc(N2CCN(CC3CCCCN3Cc3cccs3)C2=O)c1,[*]N1CCN([*])C1=O,0.41470772,False
16167,COc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3F)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6517094,False
16168,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(F)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.650646,False
16169,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3cc(O)nn3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4100264,False
16170,Cc1ccc(N2CCN(CCN3CC4CCCC3CC4)C2=O)cc1,[*]N1CCN([*])C1=O,0.44736758,False
16171,Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c(Cl)n1,[*]N1CCN([*])C1=O,0.84120506,False
16172,O=C(NCC=CCN1CCN(c2c[nH]c3ccc(F)cc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51205474,False
16173,O=C(NCC=CCN1CCN(c2ccc(-c3ccnnc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43521455,False
16174,O=C1N(Cc2ccccn2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.30326542,False
16175,CC1(C)C2CCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1(C)CC2,[*]N1CCN([*])C1=O,0.75386804,False
16176,CCCCN(CC)C1COc2c(cccc2Cn2ccc(C(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54124516,False
16177,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83451515,False
16178,CN(CCN1CCN(c2cccc(C#N)c2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.79762846,False
16179,COC(c1ccccc1)C1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.88511676,False
16180,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccc(Cl)cc4)CC3)o2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3391563,False
16181,COc1cccc(N2CCN(CC(=O)NCc3cc4ccccc4s3)C2=O)c1,[*]N1CCN([*])C1=O,0.095724545,False
16182,COc1ccccc1-c1[nH]ccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5747485,False
16183,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)s2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7902653,False
16184,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6992381,False
16185,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)cn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42788187,False
16186,O=C(NCC=CCN1CCN(c2ccc(O)cc2-c2ccccc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44092846,False
16187,O=C(NCC=CCN1CCN(c2cccc(Oc3ccccc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43872982,False
16188,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81757635,False
16189,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc2ccsc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63558304,False
16190,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.62836546,False
16191,O=C(NCCN1CCN(c2ccccc2)CC1)c1cc(Br)c2ccccc2c1OCCO,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8341244,False
16192,O=C(NCc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8020802,False
16193,O=C1N(CC2NCCCO2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.30581805,False
16194,O=C1N(CCC2(O)CCCCC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.45307234,False
16195,O=C1N(CCCN2CCc3cc(F)ccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7773886,False
16196,O=C1N(CCN2CCCCc3ccccc3C2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.6083937,False
16197,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.65400344,False
16198,O=C1N(CCN2CCc3ccsc3C2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.62429845,False
16199,O=C1N(c2ccc3sccc3c2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.24110277,False
16200,CC(C)N(CO)C1COc2c(cccc2C2CC(=O)CCC2=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2814636,False
16201,CC(C)c1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cn1,[*]N1CCN([*])C1=O,0.7724509,False
16202,CC1(C)CCN(CCN2CCN(c3cc(F)ccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.68103087,False
16203,CC1CCN(CCN2CCN(c3c(Cl)cccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.83252853,False
16204,CCCCN(C1COc2c(CC)cccc2C1)S(=O)(=O)c1cccc(C(F)(F)F)c1,[*]CN([*])C1COc2c([*])cccc2C1,0.4126896,False
16205,CCN1CCCC1CNC(=O)c1c(OC)ccc(CCO)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.94529915,False
16206,CCOc1c(Br)ccc(SO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2276756,False
16207,CN1CC2CCC1C(N1CCN(c3cccc(Cl)c3)C1=O)c1ccccc1C2,[*]N1CCN([*])C1=O,0.5628019,False
16208,COc1ccc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)c([N+](=O)[O-])c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37671748,False
16209,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc4c(c3)CCc3ccccc3-4)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46232748,False
16210,Cc1c[nH]c(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3537585,False
16211,N#CN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc([N+](=O)[O-])cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.32511583,False
16212,O=C(NCC=CCN1CCN(c2ccc(-c3ccncc3)cc2)CC1)c1ccccc1OC(F)(F)F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4560145,False
16213,O=C(NCC=CCN1CCN(c2ccc3cc(O)c(O)cc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4644481,False
16214,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2[nH]ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8835536,False
16215,O=C(NCC=CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54762655,False
16216,O=C1N(CCN2CCc3ccccc3C2)CCN1C1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.6014407,False
16217,O=C1N(CN2CCCC(OCc3ccc(Cl)cc3)C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.49579325,False
16218,CCCCN(CC)C1COc2c(cccc2-c2cc(C(F)(F)F)ccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43368015,False
16219,CCCCN(OC)C1COc2c(CCCN3C(=O)CCC4(CCCC4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5515492,False
16220,CCCN(C(C)C)C1COc2c(cccc2-c2cccc(C([O-])(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.55335814,False
16221,CCCc1cccc2c1OCC(N(CC)Cc1ccc3ccccc3c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5574308,False
16222,CCN1CCCC1CNC(=O)c1c(Br)ccc(C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8500901,False
16223,CCOc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8944395,False
16224,CCc1ccc(COC)c(C(=O)NCC2CCCN2O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19370188,False
16225,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(C)c(Cl)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3708777,False
16226,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2ccccc2-c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72220594,False
16227,COc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45095488,False
16228,Cc1cccc(N2CCN(C3CCOOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.19747631,False
16229,N#Cc1cccc(N2CCN(CC3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.48265958,False
16230,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1ccsc1,[*]N1CCN([*])C1=O,0.15485825,False
16231,O=C1N(CCN2CCN(Cc3ccccc3)CC2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.75405234,False
16232,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2ocnc2c1,[*]N1CCN([*])C1=O,0.8031232,False
16233,O=C1N(Cc2ccc(Cl)cc2)CCN1CC1CCC2Cc3ccccc3CN21,[*]N1CCN([*])C1=O,0.5565077,False
16234,O=C1N(c2ccc3c(c2)C(c2ccccc2)CNCC3)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.43526614,False
16235,O=C1N(c2cccc(Cl)c2)CCN1C1Cc2ccccc2CC2CCC(CC2)C1,[*]N1CCN([*])C1=O,0.45207688,False
16236,O=C1N(c2ccccc2Cl)CCN1C1CNC2CCC(Cc3ccccc3C2)C1,[*]N1CCN([*])C1=O,0.2651513,False
16237,O=C1N(c2ccccc2F)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.2494959,False
16238,O=CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37619156,False
16239,CC(C)NCCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6172069,False
16240,CC(CN1CCN(CCN2Cc3ccccc3C2)C1=O)c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.64910036,False
16241,CC1(C)CC2CCC1CN(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.6544598,False
16242,CCCCN(CC)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5410998,False
16243,CCCN(CCc1cccs1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8121717,False
16244,CCc1ccc(C)c(OSO)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16521339,False
16245,CN(C)CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.84124714,False
16246,CN(C)Cc1csc2c(N3CCN(c4ccccc4)C3=O)cccc12,[*]N1CCN([*])C1=O,0.23642023,False
16247,CN1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1=O,[*]N1CCN([*])C1=O,0.7542737,False
16248,CNc1ccc(OC)c(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5043899,False
16249,COCC1C2CC(N3CCN(c4cccc(Cl)c4)C3=O)CC1N(Cc1ccccc1)C2,[*]N1CCN([*])C1=O,0.457536,False
16250,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2Nc2ccccc2Cl)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33893389,False
16251,COc1cc(F)cc(N2CCN(CC=CCNC(=O)c3c[nH]c4ccccc34)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4093156,False
16252,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41884905,False
16253,COc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3N)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77153754,False
16254,COc1cccc(N2CCN(C3NCC4CCC3Cc3ccccc3N(C)C4)C2=O)c1,[*]N1CCN([*])C1=O,0.5467329,False
16255,COc1cccc(N2CCN(CCN3CCNC3C#Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.6431267,False
16256,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccco3)ccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51416963,False
16257,O=C1N(CC2CCCCCN2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.48491845,False
16258,O=C1N(CCN2CCNCC2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.6750226,False
16259,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.58925736,False
16260,O=C1N(Cc2cc(F)c(F)c(Cl)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.41533592,False
16261,O=C1c2ccccc2CN1CCN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.70238596,False
16262,CC(C)OCc1cccc(N2CCN(c3cccc(F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.26414174,False
16263,CC(c1ccccc1)N1CCN(CCN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.75745964,False
16264,CC1(C)CC2(CNCCN3CCN(c4cc(Cl)cc(Cl)c4)C3=O)CCC1CC2,[*]N1CCN([*])C1=O,0.41756955,False
16265,CC1CCCN1CCN1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.58739775,False
16266,CCCCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OOCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5801189,False
16267,CCN1CCCC1CNC(=O)c1c(C)ccc([SH](C)(=O)O)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6556016,False
16268,CCOCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.26330218,False
16269,CCc1cccc2c1OCC(N(CC(C)C)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.46893102,False
16270,COc1ccc(N2CCN(CC=CCNC(=O)c3ccc(Cl)cc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4327085,False
16271,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3nccn3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41342658,False
16272,Cc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)nc(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8793694,False
16273,Cc1ccc(O)cc1-c1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89277077,False
16274,Cc1cccc(CN2CCCCC2CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.4840601,False
16275,Cc1ccccc1N1CCN(CCN2CCN(C(C)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.6240404,False
16276,N#Cc1cc(N2CCN(CC3CCCc4occc43)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.4334003,False
16277,O=C(NCC=CCN1CCN(C(=O)OCCF)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.22003168,False
16278,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccnc(CF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9230295,False
16279,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc(-c2ccccc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78244364,False
16280,O=C1N(CC2CCc3ccccc3NC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6518974,False
16281,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.9119576,False
16282,O=C1N(CCN2CCCCC3CCCCC32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5210054,False
16283,O=C1N(CCN2CCc3ccc(Cl)cc3C2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.69858927,False
16284,O=C1N(c2cccc(Cl)c2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.35018593,False
16285,CC(C)N1Cc2ccccc2C1CN1CCN(Cc2cc3ccccc3s2)C1=O,[*]N1CCN([*])C1=O,0.5270119,False
16286,CC(C)N1c2ccccc2CC2CCC1CC2N1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.3806435,False
16287,CC(C)c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7924634,False
16288,CCCN(C(=O)c1ccccc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.23207545,False
16289,CCN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1ccccc1,[*]N1CCN([*])C1=O,0.73686016,False
16290,COCc1c(C(=O)NCCN2CCN(c3ccccc3Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.82345265,False
16291,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2c(Cl)cccc2Cl)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38215098,False
16292,COc1cc(Cl)ccc1C(=O)NCC=CCN1CCN(c2cc(C(F)(F)F)ccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55964476,False
16293,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(F)cc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5005659,False
16294,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(OCCF)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41743618,False
16295,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccncc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44456908,False
16296,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3)c(O)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87757885,False
16297,COc1cnc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93642974,False
16298,Cc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87819165,False
16299,Cc1cccc(N2CCN(CCN3c4ccccc4CC3C)C2=O)c1,[*]N1CCN([*])C1=O,0.54108685,False
16300,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(O)cc3)[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49000975,False
16301,O=C(NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2-3)CC1)c1cccc(C(F)(F)F)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4918007,False
16302,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1CO,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8297988,False
16303,O=C1N(CCN2CCCCC3Cc4ccccc4CC32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5845428,False
16304,O=C1N(CCN2CCCCCC2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.533293,False
16305,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.815361,False
16306,O=C1N(CCOc2ccc(Cl)cc2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.52539456,False
16307,O=C1N(c2ccc(Cl)cc2Cl)CCN1C1CCCCCC1,[*]N1CCN([*])C1=O,0.2384945,False
16308,CC(C)Oc1cccc(N2CCN(CCN3CCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.50971353,False
16309,CC(c1ccccc1)N1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8137637,False
16310,CC1(CN2CCN(c3ccc(Cl)cc3)C2=O)CCCC2CC13CC2C3,[*]N1CCN([*])C1=O,0.2843077,False
16311,CC1C2CCC(CN(CCN3CCN(c4ccccc4)C3=O)C2)C1(C)C,[*]N1CCN([*])C1=O,0.59944606,False
16312,CC1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CN1C,[*]N1CCN([*])C1=O,0.83992904,False
16313,CCCCN(C(C)C)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6213846,False
16314,CCCN(CC(=O)c1c[nH]c2ccccc12)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4277506,False
16315,CCCN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.40276232,False
16316,COc1c(C(=O)NCCN2CCN(c3cccc(NC(C)=O)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.76058316,False
16317,COc1cc(F)cc(C(=O)NCC=CCN2CCN(c3ccc(-c4ccccc4)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39632246,False
16318,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(F)ccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8897411,False
16319,Cc1cccc(C(C)N(C)CN2CCN(C(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.2526653,False
16320,N#Cc1cccc(CN2CCN(CN3CCN(C(F)(F)F)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.60711396,False
16321,N#Cc1cccc(N2CCN(CCN3CCCC(c4ccccc4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8579031,False
16322,Nc1cccc(N2CCN(CC3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.6507685,False
16323,O=C(NCC=CCN1CCN(c2ccc(Cl)nc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49915364,False
16324,O=C(NCC=CCN1CCN(c2ccc3ccc(O)cc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44247395,False
16325,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Br)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8976873,False
16326,O=C1N(CC2CNCCC2F)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6925954,False
16327,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.51946723,False
16328,O=C1N(CCN2CCCCC2CO)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.58630913,False
16329,O=C1N(c2cccc(Cl)c2)CCN1C1NCC2CCc3ccccc3CC1CC2,[*]N1CCN([*])C1=O,0.562772,False
16330,CC(C)N1Cc2ccccc2C1CN1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.5839917,False
16331,CC(C)Oc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2N(C)C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82232136,False
16332,CC(C)c1ccc(CN2CCN(CN(C)CCC34CCC(CC3C)C4(C)C)C2=O)cc1,[*]N1CCN([*])C1=O,0.3849748,False
16333,CC1(CN2CCN(c3ccc(F)c(Cl)c3)C2=O)CCNCC1,[*]N1CCN([*])C1=O,0.39935032,False
16334,CCCCc1ccc(OC)c(C(=O)NCC2CCCN2CCNC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5226822,False
16335,CCCc1ccc(OC)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7444315,False
16336,CCN1CCCC1CNC(=O)c1c(C)ccc(O)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6967519,False
16337,CCN1CCOCC1CN1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.28612062,False
16338,CCc1ccc(OC)c(C(=O)NCC2CCCN2CC2CCCC2)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.47420415,False
16339,CCc1cccc2c1OCC(N(CC(=O)c1ccsc1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.2711325,False
16340,COc1c(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)sc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7514933,False
16341,COc1c(C)cccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34734592,False
16342,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38651544,False
16343,COc1ccc(OC)c(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7447187,False
16344,COc1cccc(N2CCN(CC3CCCCC3c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.48617646,False
16345,COc1cccc(N2CCN(CCN(C)Cc3cccs3)C2=O)c1,[*]N1CCN([*])C1=O,0.71154964,False
16346,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3c(O)cccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41917893,False
16347,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(OCCF)c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6915204,False
16348,O=C(CN1CCN(Cc2cccc(Cl)c2)C1=O)NCc1cccs1,[*]N1CCN([*])C1=O,0.08018288,False
16349,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccnc(Br)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96241236,False
16350,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc2cc(OCCF)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7985847,False
16351,O=C1N(CC2COCN2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.383524,False
16352,O=C1N(c2cccc(Cl)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.4139208,False
16353,O=C1N(c2ccccc2Cl)CCN1C1COCCN1,[*]N1CCN([*])C1=O,0.18975715,False
16354,CC1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.9469262,True
16355,CCCCN(C1CCCC1)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3637041,False
16356,CCCc1cccc2c1OCC(N(CC)Cc1ccc(OC)c(OC)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.545625,False
16357,CCN1CCCC1CNC(=O)c1c(OC)ccc(N)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9327108,False
16358,CCOc1c(COC)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2448056,False
16359,CCc1cccc2c1OCC(N(C)Cc1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.46403885,False
16360,CN1CCCN(CCN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8577055,False
16361,CNc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6539555,False
16362,COc1c(C(=O)NCCN2CCN(c3cccc(N[N+](=O)[O-])c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.685043,False
16363,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(OCCF)c3)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5637038,False
16364,COc1ccc2sc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33699697,False
16365,COc1cccc(-c2cccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33302614,False
16366,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3nccs3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9239833,False
16367,Cc1c(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.28217736,False
16368,Cc1ccc(N2CCN(CC3CCC4CCc5ccccc5CC4N3)C2=O)cc1,[*]N1CCN([*])C1=O,0.46478736,False
16369,O=C(NCC=CCN1CCN(c2cc3ccc(OCCF)cc3[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41945884,False
16370,O=C(NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2)CC1)c1ccccc1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48799434,False
16371,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1cccc(OCCF)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5416574,False
16372,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)OCCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8438067,False
16373,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cccc(Br)c2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83481705,False
16374,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cncc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9225171,False
16375,O=C1N(CCN2CCCCCC2)CCN1c1cc(F)cc(F)c1,[*]N1CCN([*])C1=O,0.83913684,False
16376,O=C1N(CNCC2=Cc3ccsc3Cc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.43458784,False
16377,C=CCN(c1ccccc1)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5002123,False
16378,CC(C)c1ccc2c(c1)CCN2C(=O)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.2691741,False
16379,CCCN1CCCC1CNC(=O)c1c(O)ccc(C)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.31913272,False
16380,CCCc1cccc2c1OCC(N(CCC)OCc1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.66768,False
16381,CCN(CC(C)=O)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.30210096,False
16382,CN(CCN1CCN(c2ccc(Cl)cc2)C1=O)CC12CCC(CC1)C(C)(C)C2,[*]N1CCN([*])C1=O,0.6472362,False
16383,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3ccccc3o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3859738,False
16384,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(-c3cccs3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41473806,False
16385,Cc1csc(CN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.7487105,False
16386,Cc1csc2c1CCN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.6225619,False
16387,O=C(CN1CCN(c2ccccc2)C1=O)NCc1ccccn1,[*]N1CCN([*])C1=O,0.05954267,False
16388,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(O)nc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5006776,False
16389,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)NCCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7429481,False
16390,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(-c2ccc(O)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8104662,False
16391,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccccc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91306645,False
16392,O=C1N(CC2CCNCC3CCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.62758446,False
16393,O=C1N(CCN2C3CCCC2Cc2ccccc2C3)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.6152817,False
16394,O=C1N(CCN2CC3CCc4ccccc4CC2CC3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.59115684,False
16395,O=C1N(CCN2CCCCC(Cc3ccccc3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6932084,False
16396,O=C1N(CCN2Cc3ccccc3C2)CCN1c1csc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.8925722,False
16397,O=C1N(CN2c3ccccc3CC23CCCCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5144456,False
16398,O=C1N(c2ccc3sccc3c2)CCN1C1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.23659123,False
16399,O=C1N(c2ccccc2)CCN1C1CCNCC1O,[*]N1CCN([*])C1=O,0.22651789,False
16400,CC(C)N1CCN(Cc2ccccc2C#N)C1=O,[*]N1CCN([*])C1=O,0.3107707,False
16401,CC1(C)CC2CCC1CCN(CCN1CCN(c3ccc(Cl)cc3)C1=O)C2,[*]N1CCN([*])C1=O,0.69782823,False
16402,CC1CCCCCN1CCN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5303196,False
16403,CC1CCCN(CCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.69790983,False
16404,CC1CCCN(CCN2CCN(c3cccs3)C2=O)C1,[*]N1CCN([*])C1=O,0.4996637,False
16405,CCCCN(c1coc(C(O)(F)F)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46672013,False
16406,CCCCOc1c(C)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.61816,False
16407,CCCN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.35237828,False
16408,CCCc1cccc2c1OCC(N(CC)CC=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5579498,False
16409,CCCc1cccc2c1OCC(N(COC)Cc1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.60755277,False
16410,CN1CCN(Cc2csc3ccccc23)C(N2CCN(c3cccc(F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.443065,False
16411,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c(O)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5053327,False
16412,COc1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.42477095,False
16413,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccc(OCCF)cc3)c[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4530934,False
16414,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(F)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86998373,False
16415,Cc1ccc(N2CCN(C3CCC4(CN(C)C)CCC(C3)C4C)C2=O)cc1,[*]N1CCN([*])C1=O,0.20711581,False
16416,Cc1nccc2ccc(N3CCN(CCN4Cc5ccccc5C4)C3=O)cc12,[*]N1CCN([*])C1=O,0.86517084,False
16417,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(O)c3)cc2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48555914,False
16418,O=C(NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2)CC1)c1ccccc1C(F)(F)F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50019515,False
16419,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(F)c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86944765,False
16420,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1nc2ccccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68230313,False
16421,O=C1N(CC2CNC3CCc4ccccc4C3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6538859,False
16422,O=C1N(CCN2CCCC(c3ccccc3)CC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.8237006,False
16423,O=C1N(CCn2cc3ccccc3c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6894006,False
16424,C#Cc1cccc(N2CCN(CC(C)O)C2=O)c1,[*]N1CCN([*])C1=O,0.3209494,False
16425,C#Cc1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.89064246,False
16426,CC(C)c1cccc(N2CCN(CN(C)Cc3cc4ccccc4s3)C2=O)c1,[*]N1CCN([*])C1=O,0.36701337,False
16427,CC1CC(=O)Nc2cc(CN3CCN(C4COOC4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.36712003,False
16428,CCN(CC(C)C)C1COc2c(cccc2-c2cccc(C(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5253494,False
16429,CCc1ccc(C)c(OSO)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17629759,False
16430,CN(CN1CCN(Cc2cccc(C(F)(F)F)c2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.50606817,False
16431,CNc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5246529,False
16432,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(-c3ccccc3)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.36194757,False
16433,COc1c(C)ccc(O)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22991697,False
16434,COc1ccc(CCC(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6497088,False
16435,COc1cccc(-c2c(C(=O)NCCN3CCN(Cl)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33581612,False
16436,COc1cccc(N2CCN(CCN3CCCCCC3C)C2=O)c1,[*]N1CCN([*])C1=O,0.6255428,False
16437,COc1ccccc1CN1CCN(CC=CCNC(=O)c2ccc(F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28470054,False
16438,O=C(NCC=CCN1CCN(c2cc3ccccc3[nH]2)CC1)c1cccc(CCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48657042,False
16439,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Cl)c([O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94613105,False
16440,O=C(NCC=CCN1CCN(c2cccc3c(=O)cc[nH]c23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5880734,False
16441,O=C1N(CCN2CC3CCCCC2Cc2ccccc2C3)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.5753107,False
16442,O=C1N(CCN2CC3CCc4ccccc4CC2CC3)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.58317685,False
16443,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(F)c1Cl,[*]N1CCN([*])C1=O,0.8536221,False
16444,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.90509194,False
16445,O=C1N(c2cccc(Cl)c2)CCN1C1CCC(NCc2ccncn2)CC1,[*]N1CCN([*])C1=O,0.3489539,False
16446,CC(C#N)NC1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.649055,False
16447,CC(C)N(CO)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.44694483,False
16448,CC(c1ccco1)N1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.2581679,False
16449,CCN1CCCC1CNC(=O)c1c(Br)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9396824,True
16450,CCOCN1CCN(CCN2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.61359864,False
16451,CCOc1c(OC)ccc(S(N)(=O)=O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.26425624,False
16452,CCn1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.83045214,False
16453,CN1CC2C(C)(C)CC1CC2(C)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6437631,False
16454,CN1CCN(CCN2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.81314117,False
16455,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43669856,False
16456,Cc1cc(CN2CCN(c3cccc(C#N)c3)C2=O)on1,[*]N1CCN([*])C1=O,0.2855797,False
16457,Cc1ccc(C2CCN(CN3CCN(Cc4cccc(Cl)c4)C3=O)CC2)s1,[*]N1CCN([*])C1=O,0.51221645,False
16458,Cc1cccnc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(C(F)(F)F)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8233816,False
16459,O=C(NCC=CCN1CCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33058584,False
16460,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C(=O)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8190151,False
16461,O=C(NCC=CCN1CCN(c2ccnc(F)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51335734,False
16462,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.7599263,False
16463,O=C1N(CCN2CC3CCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8253931,True
16464,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(C2CCCCN2)c1,[*]N1CCN([*])C1=O,0.8642408,False
16465,O=C1N(Cc2ccccc2)CCN1C1CCc2ccccc2O1,[*]N1CCN([*])C1=O,0.5381774,False
16466,O=C1N(c2cccc(Cl)c2)CCN1C1CCCN(Cc2ccc(Cl)cc2)C1,[*]N1CCN([*])C1=O,0.4848884,False
16467,O=C1N(c2ccccc2)CCN1C1CCCCNC1,[*]N1CCN([*])C1=O,0.26760447,False
16468,CCCc1cccc2c1OCC(N(CC)CC(=O)c1ccc3ccccc3c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.30442807,False
16469,CCN1C=CC=CC=C2CC(CN3CCN(c4cccc(Cl)c4)C3=O)CCCC21,[*]N1CCN([*])C1=O,0.54722226,False
16470,CCOc1c(CC)ccc(Br)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2163739,False
16471,CCc1cccc2c1OCC(N(CC(C)C)c1cccc(OC)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.36019188,False
16472,CN(CCN1CCN(c2ccc(Cl)c(Cl)c2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.6675762,False
16473,CN(CCN1CCN(c2ccsc2)C1=O)Cc1ccccn1,[*]N1CCN([*])C1=O,0.49299195,False
16474,CN(Cc1cc2ccccc2s1)CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.38536975,False
16475,CNC(=O)c1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9512016,False
16476,COc1c(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)ccc2cccc(Br)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55630046,False
16477,COc1ccc(-c2cccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43366557,False
16478,COc1cccc(CN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.78771245,False
16479,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Br)cc(Br)c2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92209977,False
16480,Cc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1-c1ncc[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86561227,False
16481,Cc1ccc(Cl)cc1CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.74325603,False
16482,Cc1ccc2c(c1)CN(CCN1CCN(c3ccccc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.6059903,False
16483,N#Cc1cccc(CN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.38388368,False
16484,N#Cc1cccc(N2CCN(c3cccc(-c4ccccc4)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.38280395,False
16485,O=C(NCC=CCN1CCN(Cc2ccccc2Cl)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32585976,False
16486,O=C(NCC=CCN1CCN(c2cscc2-c2ccc(F)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6639193,False
16487,O=C1N(CCN2C3CCCCC2CC3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.49323067,False
16488,O=C1N(CCc2cc3ccccc3s2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.44231802,False
16489,O=C1N(c2cccc(Cl)c2)CCN1C12CCC3(CCC(C3)C1)C2,[*]N1CCN([*])C1=O,0.41237956,False
16490,CCCCCc1ccc(C)c(OCC)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14369926,False
16491,CCCc1cccc2c1OCC(N(CC)Cc1cccnc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.602366,False
16492,CCOC(C)N1CCC(N2CCN(c3cccc(OC)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.32485506,False
16493,CCc1ccc(OC)c(C(=O)NCC2CCCN2CCBr)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5231654,False
16494,CCc1cccc2c1OCC(N(CC(F)(F)F)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5016182,False
16495,COCC1CCCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.8371862,False
16496,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C[N+](=O)[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3922685,False
16497,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3-c3ccc(F)cc3)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54352784,False
16498,COc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90810674,False
16499,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccco3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35371232,False
16500,Cc1c[nH]c(N2CCN(CC=CCNC(=O)c3ccc(-c4ccc(F)cc4)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3014997,False
16501,Cc1ccccc1N1CCN(C2CCCN(C)C2)C1=O,[*]N1CCN([*])C1=O,0.27986872,False
16502,O=C(NCC=CCN1CCN(c2[nH]cc3cc(OCCF)ccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38036695,False
16503,O=C(NCC=CCN1CCN(c2ccc(O)c3ccccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64154744,False
16504,O=C(NCC=CCN1CCN(c2ccc(O)cc2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4311204,False
16505,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cnccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84380704,False
16506,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(CF)cc2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91010463,False
16507,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(Oc2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84283596,False
16508,O=C1N(CC2CCCCN(Cc3ccccc3)C2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.4874907,False
16509,O=C1N(CC2CCCCNC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.39577717,False
16510,O=C1N(CC2CCCCO2)CCN1C1CCc2ccsc2CC1,[*]N1CCN([*])C1=O,0.37599245,False
16511,O=C1N(CCN2CCCCCC2)CCN1c1c(Cl)cccc1Cl,[*]N1CCN([*])C1=O,0.7610011,False
16512,O=C1c2ccccc2CN1CCN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.62980986,False
16513,C=CCc1ccc(C)c(OC)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21046518,False
16514,CC1(C)CCN(CN2CCN(c3ccc(F)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.47955415,False
16515,CC1c2ccccc2CN1C(=O)CN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.29567322,False
16516,CCCN(COC(=O)c1ccc(OC)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.38443482,False
16517,CCCN(Cc1ccc(OC)cc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5967442,False
16518,CCCc1cccc2c1OCC(N(CCC)C(=O)N(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.38993675,False
16519,CCCc1cccc2c1OCC(N(CCC)Cc1ccc(Cl)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6832331,False
16520,CCN1CCCC1CNC(=O)c1c(C)ccc([SH](C)O)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.76070744,False
16521,CCN1CCCC1CNC(=O)c1c(OC)ccc(C(C)C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.82649606,False
16522,CCOc1c(CC)ccc(Br)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24553831,False
16523,CCc1ccc(OC)c(C(=O)NCC2CCCN2CCCS)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.487714,False
16524,CN(CN1CCN(c2cccc(Cl)c2)C1=O)CC12CCC(CC1)CC2,[*]N1CCN([*])C1=O,0.6367761,False
16525,CN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc([N+](=O)[O-])cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.28979543,False
16526,CN1Cc2ccccc2C1N1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5751179,False
16527,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([O-])c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3442141,False
16528,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(C)nc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3869382,False
16529,COc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2CO)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.90844005,False
16530,O=C(NCC=CCN1CCN(c2cc(Cl)ccc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5730762,False
16531,O=C(NCC=CCN1CCN(c2ccc(F)cc2)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5542081,False
16532,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2sccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93588775,False
16533,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91988885,False
16534,O=C1N(CCN2CCCc3sccc3C2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.4858055,False
16535,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.8237047,False
16536,O=C1N(CNCC2Cc3ccccc3C2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.2963273,False
16537,CC(C)Nc1cccc(N2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.10940986,False
16538,CC(C)c1cccc2c1OCC(N(CO)CCN1CCC(C(=O)c3ccccc3)CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5965602,False
16539,CC1Cc2ccccc2CN1CCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.57820135,False
16540,CCCCN(C(=O)c1ccsc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2653441,False
16541,CCCN(C)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6305754,False
16542,CCCN(CCCCC1NC(=O)CC12CCCC(=O)C2)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5276995,False
16543,CCOc1c(Cl)ccc(CCS)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19457111,False
16544,CCc1ccc(OC)c(OCCCF)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.29644293,False
16545,CN1CCN(CCN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8180451,False
16546,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([N+]=O)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39062992,False
16547,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C(=O)c2ccc(C)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3809823,False
16548,COc1ccc(Br)c(N2CCN(CC=CCNC(=O)c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48483366,False
16549,COc1ccc(CN(C)N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.26418135,False
16550,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3O)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5477288,False
16551,COc1ccc2c(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc(OC)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5569074,False
16552,NON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2[N+](=O)[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.41147065,False
16553,Nc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7771187,False
16554,O=C(NCC=CCN1CCN(C2=CC=CC=C3C=CC=CCN32)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37096888,False
16555,O=C(NCCN1CCN([N+](=O)[O-])CC1)c1cc(Br)c2ccccc2c1[N+](=O)[O-],[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.36286113,False
16556,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.66928875,False
16557,O=C1N(CCN2Cc3ccc([N+](=O)[O-])cc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.50767803,False
16558,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.9474825,True
16559,O=C1N(c2ccc(Cl)cc2)CCN1C1CNCCC12CCCCc1ccccc12,[*]N1CCN([*])C1=O,0.3343104,False
16560,CC1(C)CC2(N3CCN(Cc4cccc(C(F)(F)F)c4)C3=O)CCCC1C2,[*]N1CCN([*])C1=O,0.33305094,False
16561,CCCCN(CC)C1COc2c(cccc2-c2ccc(OC(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5424282,False
16562,CCCN(CCC)C1COc2c(cccc2-c2cccc(C(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8051956,False
16563,CCN(CC(C)C)C1COc2c(cccc2-c2ccc(S(C)(=O)=O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37769336,False
16564,CCN(CCC(C)C)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.28080538,False
16565,CCOC1c2occc2CCC1CN1CCN(c2cc3ccccc3s2)C1=O,[*]N1CCN([*])C1=O,0.40245688,False
16566,CCc1ccc(C)c(C(=O)NCC2CCCN2C)c1OCCCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1925407,False
16567,CN(CCN1CCN(c2cccc(C(F)(F)F)c2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.84613174,False
16568,COCC1C2CNCC1CC(N1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.4338361,False
16569,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccoc2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33719593,False
16570,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7154763,False
16571,COc1ccc(Cl)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9348935,False
16572,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39099672,False
16573,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2C3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4451147,False
16574,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3cccc(OC)c3s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8334111,False
16575,O=C(NCC=CCN1CCN(c2c[nH]c(-c3ccsc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39856058,False
16576,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1c(Cl)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5153873,False
16577,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c(-c2ccccc2Br)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8212205,False
16578,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(CCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9608179,False
16579,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1-c1cc(O)ccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82057375,False
16580,O=C(NCC=CCN1CCN(c2cccc(Cl)c2OCCF)CC1)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68932694,False
16581,CC(C)N1CCN(CCN2CCN(Cc3cccs3)C2=O)CC1,[*]N1CCN([*])C1=O,0.65979886,False
16582,CCCN(CCC)C1COc2c(cccc2C(O)c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5359135,False
16583,CCCNc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6443376,False
16584,CCN1CCCC1CNC(=O)c1c(C)ccc(Br)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.66655964,False
16585,CCOc1c(OC)ccc(O)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.86301726,False
16586,CN(C)c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3O)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49512133,False
16587,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2COc2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4115323,False
16588,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43391317,False
16589,COc1ccccc1C(=O)NCC=CCN1CCN(Nc2cccnc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.16925955,False
16590,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(OCCF)cc(Oc3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4257516,False
16591,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3cccc(OCCF)c3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88621825,False
16592,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2CN(C)C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92363197,False
16593,Nc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8439156,False
16594,O=C(NCC=CCN1CCN(c2c(Cl)ccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5205347,False
16595,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(OCCF)cc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49804413,False
16596,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(C(=O)NCc2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85843164,False
16597,O=C1N(CC2CNCc3occc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5236648,False
16598,O=C1N(CC2COCCN2)CCN1c1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.31618822,False
16599,O=C1N(CCN2CC3CCCc4ccccc4CC2CC3)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.615068,False
16600,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.65273935,False
16601,O=C1N(CCN2Cc3ccccc3C2)CCN1C(Cl)c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.7925683,False
16602,O=C1N(CCN2Cc3ccccc3C2)CCN1C1CCCCO1,[*]N1CCN([*])C1=O,0.6787035,False
16603,O=C1N(c2ccc3ccccc3c2)CCN1C1CC(c2ccccc2Cl)CCN1,[*]N1CCN([*])C1=O,0.28063434,False
16604,C=[SH](O)(O)c1ccc(Cl)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.85700446,False
16605,CC1(C)CC2CC(CN3CCN(c4cccc(Cl)c4)C3=O)CC1C2,[*]N1CCN([*])C1=O,0.60844576,False
16606,CC1OCCN(CCN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1C,[*]N1CCN([*])C1=O,0.49025077,False
16607,CCCc1cccc2c1OCC(N(COC)Cc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.61077386,False
16608,CCN1CCOCc2cc(CN3CCN(c4cc(Cl)cc(Cl)c4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.28864822,False
16609,CCOc1c(CCF)ccc(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27619746,False
16610,CCc1ccc(C)c(OF)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16918291,False
16611,CN1CC2CCCC1(C)C2CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6117076,False
16612,COC(c1ccccc1)C1CCN(CCN2CCN(C(C)C)C2=O)CC1,[*]N1CCN([*])C1=O,0.70680475,False
16613,COc1cccc(N2CCN(CCN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.9095353,True
16614,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OC(C)C)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82297796,False
16615,Cc1cccc(CN2CCN(Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.3028296,False
16616,Cc1cccnc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83035004,False
16617,N#Cc1cccc(N2CCN(CC3CCNCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.5710559,False
16618,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1cccc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47522813,False
16619,O=C(NCC=CCN1CCN(c2cc(O)cc3ccccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6470511,False
16620,O=C(NCC=CCN1CCN(c2ccc(Cl)nc2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4785199,False
16621,O=C(NCC=CCN1CCN(c2cccc3ncccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72123146,False
16622,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(Cl)c(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6499331,False
16623,O=C(c1ccc(F)cc1)C1CCCN(CN2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.27065107,False
16624,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1ccccn1,[*]N1CCN([*])C1=O,0.66089773,False
16625,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)CCCCCC2,[*]N1CCN([*])C1=O,0.8138944,False
16626,O=C1N(Cc2ccccc2)CCN1Cc1ccc(F)cc1,[*]N1CCN([*])C1=O,0.3671106,False
16627,O=C1c2ccccc2CCN1CCCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6970347,False
16628,CC(C)c1cccc(N2CCN(c3cc4ccccc4s3)C2=O)c1,[*]N1CCN([*])C1=O,0.2035422,False
16629,CC(CN1CCN(Cc2cccc(Cl)c2)C1=O)N1CCCCCC1,[*]N1CCN([*])C1=O,0.19640326,False
16630,CC1(C)CCCC12CCCN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.7989972,False
16631,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2cc(OCCF)ccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4997302,False
16632,CCc1ccc(CC)c(C(=O)NCC2CCCN2C)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24026039,False
16633,COc1c(C(=O)NCCN2CCN(Cc3cccc(C)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39020395,False
16634,COc1cccc(CN2CCCCCC2N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.34097818,False
16635,COc1cccc(Cl)c1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(C)cn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28523338,False
16636,COc1csc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.83043844,False
16637,Cc1ccc(C)c(-c2c(C(=O)NCCN3CCN(C)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.31145096,False
16638,Cc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(F)c4Cl)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38040012,False
16639,Cc1cccc(CN2CCN(C3COCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.26697356,False
16640,N#Cc1cc(N2CCN(CCN3CCc4ccccc4C3)C2=O)ccc1Cl,[*]N1CCN([*])C1=O,0.7307994,False
16641,O=C(CCOc1ccc(-c2ccsc2)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71551335,False
16642,O=C(NCC=CCN1CCN(c2ccc(-c3cnoc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39694756,False
16643,O=C(NCC=CCN1CCN(c2ccc3cccc(OCCF)c3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4538792,False
16644,O=C(NCC=CCN1CCN(c2cccc(-c3ccc(O)o3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45389104,False
16645,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C(=O)Nc1cccc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5838313,False
16646,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96114606,False
16647,O=C(NCC=CCN1CCN(c2cccc3[nH]c(=O)c4ccccc4c23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65433425,False
16648,O=C1N(CCN2CCCC(Cc3ccccc3)C2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.6208973,False
16649,O=C1Nc2ccccc2CC2C1CCCN2CCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.65154475,False
16650,CCCN(CC(C)=O)C1COc2c(Cc3ccc(OC)cc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.36024973,False
16651,CCN1CCCC1CNC(=O)c1c(C)ccc(SC)c1OF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6657666,False
16652,CN(C)CC12CCC(CC(N3CCN(c4ccc(F)cc4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.43688768,False
16653,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.7895627,False
16654,COCC1CCC(CN2CCN(c3ccccc3)C2=O)N1,[*]N1CCN([*])C1=O,0.43021527,False
16655,COc1c(C(=O)NCCN2CCN(c3cc(Br)ccc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.78994846,False
16656,COc1ccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.74933,False
16657,COc1ccc(Cl)cc1N1CCN(CC=CCNC(=O)c2cc(Br)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4095666,False
16658,COc1cccc(CN2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.41799724,False
16659,CSc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7675194,False
16660,Cc1cc(C)n(CCN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.45474848,False
16661,N#CCN1Cc2ccccc2C(CN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.65240484,False
16662,O=C(NCC=CCN1CCN(c2ccc3c(O)cccc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4691542,False
16663,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46091676,False
16664,O=C1N(CC2CCOC2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.28446698,False
16665,O=C1N(CCN2CC3CCC2CCc2ccccc2C3)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.55339843,False
16666,O=C1N(CN2CC3CCC(C2)C3COCc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.60194093,False
16667,O=C1N(CN2CC3CCc4ccccc4CC2CC3)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.45984697,False
16668,O=C1N(CNCC2CCC3CCN(C2)C3Cc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.29562026,False
16669,O=C1N(CNCc2cccc(Cl)c2)CCN1Cc1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.19486398,False
16670,O=C1N(Cc2ccccc2)CCN1C1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.39570728,False
16671,O=C1N(c2ccccc2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.3592612,False
16672,CC(CCN1CCN(c2ccc(Cl)cc2)C1=O)N1CCCCC1,[*]N1CCN([*])C1=O,0.35035715,False
16673,CCCCN(CC)C1COc2c(cccc2-c2ccc(S(C)(=O)=O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.388563,False
16674,CCCN(CCCCN1CCC2(CCCC(=O)C2)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.623441,False
16675,CCCN(CCCN)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7688237,False
16676,CCCN1CCCC1CNC(=O)c1c(OC)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.48984632,False
16677,CCCc1cccc2c1OCC(N(CC)Cc1cc(C(F)(F)F)c[nH]1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.58171934,False
16678,COCC1CCCN(CN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.46537355,False
16679,COCC1c2ccccc2CN1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.54834056,False
16680,COc1c(C(=O)NCCN2CCN(c3c(C)cccc3Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8272047,False
16681,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2cc3cc(O)ccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4301233,False
16682,COc1ccc2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)nc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33478466,False
16683,COc1cccc(C)c1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8389966,False
16684,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3cc(F)ccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43354887,False
16685,COc1ccccc1N1CCN(CC=CCNC(=O)C(=O)NCc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77947176,False
16686,Cc1[nH]c(-c2ccccc2)nc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85330296,False
16687,N#CN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2Cl)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.47965685,False
16688,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(C=Cc2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7124939,False
16689,O=C1N(CC(=O)N2CCc3ccc(F)cc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.26538518,False
16690,O=C1N(CC2NCCCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6094804,False
16691,O=C1N(CCN2CCC(Cc3ccc(Cl)cc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8664419,False
16692,O=C1N(c2cccc(Cl)c2)CCN1C1CCC(OCc2ccccc2)CN1,[*]N1CCN([*])C1=O,0.530191,False
16693,CC(=O)NCc1cccc(N2CCN(c3ccccc3Cl)C2=O)c1,[*]N1CCN([*])C1=O,0.12511446,False
16694,CC1CC2CCCC(CC1N1CCN(c3cccc(Cl)c3)C1=O)N2,[*]N1CCN([*])C1=O,0.40068227,False
16695,CCCN(c1ccco1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53732246,False
16696,CCN(CC(C)C)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5327842,False
16697,CCc1ccc(OCCF)c(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53403807,False
16698,CCc1cccc2c1OCC(N(CC(C)CC)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.43399936,False
16699,CN(CN1CCN(c2cccc(Cl)c2)C1=O)CC12CCC(CC1)CC(C)(C)C2,[*]N1CCN([*])C1=O,0.5848112,False
16700,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(CO)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34153146,False
16701,COc1ccc(Br)c(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45759735,False
16702,COc1ccc(Cl)cc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8987266,False
16703,COc1ccc([O-])c(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59703875,False
16704,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3Cl)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56149143,False
16705,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(C(F)(F)F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45485216,False
16706,Cc1ccc(C)c(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90442556,False
16707,Cc1ccc(N2CCN(CCN3CCCCCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.81662756,True
16708,Cc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.9025915,False
16709,O=C(Cc1ccc(Br)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7664323,False
16710,O=C(NCC=CCN1CCN(Oc2ccc3ccccc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31999516,False
16711,O=C(NCC=CCN1CCN(c2cc(Cl)cc(Cl)c2Cl)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6428438,False
16712,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccnc(-c2ccc(F)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89780545,False
16713,O=C1N(CC2CCCc3ccccc32)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.48796177,False
16714,O=C1N(CCN2CCCCC3(CCc4ccccc4C3)C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5903513,False
16715,O=C1N(c2ccc3c(c2)OCO3)CCN1C1CNCCC1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.30717605,False
16716,O=C1c2ccccc2CN1CCCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.56566924,False
16717,CC(=O)CN(C1CCCC1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.254578,False
16718,CC1CCc2ccc(N3CCN(Cc4ccccc4)C3=O)cc2OC1,[*]N1CCN([*])C1=O,0.5191444,False
16719,CCCCN(C(=O)c1ccc(F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.28627557,False
16720,CCCCN(F)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.548474,False
16721,CCCCN(c1ccc(C(=O)OC)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.27375272,False
16722,CCCN(CCNC(C)=O)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5834539,False
16723,CCc1ccc(SC)c(OO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22571068,False
16724,CN(C)CCN1CCN(CC2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5654242,False
16725,COc1cc(OC)cc(C(=O)NCC=CCN2CCN(c3ccc4c(c3)Cc3ccccc3-4)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43184623,False
16726,COc1ccc(C)c(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37445077,False
16727,COc1cccc(C2CNCCC(N3CCN(c4cccc(Cl)c4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.41862392,False
16728,COc1cccc(N2CCN(CCC3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.7040932,False
16729,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Cl)ccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75397044,False
16730,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc([N+](=O)[O-])ccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7983792,False
16731,Cc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8659342,False
16732,Nc1cc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9597357,False
16733,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Br)nn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8823728,False
16734,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccnc(=O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8597003,False
16735,O=C1N(CC2NCC3CCCCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.62809354,False
16736,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.64429504,False
16737,O=C1N(CCN2CCc3ccccc32)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.5451618,False
16738,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.9470661,True
16739,CCCCN(CCCN1C(=O)CC(C)(C)CC1=O)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.59641564,False
16740,CCCCN(c1ccccc1)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54093415,False
16741,CCCN(CC1CCC1)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6793664,False
16742,CCCN(CCC)C1COc2c(cccc2-c2cc(C)cs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7295265,False
16743,CCCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18015398,False
16744,CCOc1c(C)ccc(S(C)(=O)=O)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.13204728,False
16745,CN(CCN1CCN(c2ccccc2Cl)C1=O)CC12CCCC1CC(C)(C)C2,[*]N1CCN([*])C1=O,0.5064189,False
16746,CN1CCCC(CN2CCN(c3ccsc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.49576855,False
16747,COc1ccc(-c2cc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43322888,False
16748,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)o2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28509498,False
16749,COc1cccc2cc(O)cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4841586,False
16750,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42233956,False
16751,C[N+]c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9365705,False
16752,Nc1cc(Cl)ccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9105416,False
16753,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccsc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43616346,False
16754,O=C(NCC=CCN1CCN(c2cccc(-c3cccnc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49414784,False
16755,O=C1N(CC(F)(F)C2CCNCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6397632,False
16756,O=C1N(CC2CNCCCN2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.44571036,False
16757,O=C1N(CCN2C3CCCCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.5749282,False
16758,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc2cccsc-2c1,[*]N1CCN([*])C1=O,0.9182278,False
16759,O=C1N(Cc2ccc3c(c2)OCO3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.39712322,False
16760,O=C1N(c2ccc(Cl)c(Cl)c2)CCN1c1ccc2c(c1)Cc1ccccc1S2,[*]N1CCN([*])C1=O,0.34229362,False
16761,CC(C)OC1CCCc2cc(CN3CCN(c4cccc(Cl)c4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.48969766,False
16762,CC12CCCCC(N(CCN3CCN(c4cccc(Cl)c4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.79481155,False
16763,CC1CCN(CCN2CCN(c3cccc(O)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8092368,False
16764,CCCN(CCC)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.736824,False
16765,CCCN(CCC)C1COc2c(cccc2C(=O)c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.63271165,False
16766,CCCN(Cc1cccc(C(F)(F)F)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6494668,False
16767,CCCc1cccc2c1OCC(N(CC)COC(=O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3366581,False
16768,CCCc1cccc2c1OCC(N(CO)c1ccc(C)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4310923,False
16769,CCN(CO)C1COc2c(CCc3ccsc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57235754,False
16770,CCc1ccc(OC)c(C(=O)NCC2CCCN2O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22170231,False
16771,CCc1cccc2c1OCC(N(CC(=O)c1ccsc1)CC(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.27395183,False
16772,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc([O-])c(C)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.29376575,False
16773,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc[s+]2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4047846,False
16774,COc1ccc(-c2cc[nH]c2N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43467906,False
16775,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3ccccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96272653,False
16776,Cc1cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c2ccccc2n1,[*]N1CCN([*])C1=O,0.7682432,False
16777,Cc1cccc(N2CCN(CCN3CCOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.61418885,False
16778,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(F)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9617105,False
16779,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccc(O)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8823799,False
16780,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1cccc(F)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47402793,False
16781,O=C(NCC=CCN1CCN(c2ccncc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6496976,False
16782,O=C1N(CC2OCC3CCCCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.61847305,False
16783,O=C1N(Cc2ccccn2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.30797175,False
16784,C=CCN1CCCC1CNC(=O)c1c(OC)ccc(C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5546582,False
16785,CC(C)N(CO)C1COc2c(CCCN3C(=O)CC4(CCCC4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5026849,False
16786,CC1(C)CCCN(CCN2CCN(c3ccccn3)C2=O)CC1,[*]N1CCN([*])C1=O,0.64983034,False
16787,CC1CN(C(=O)CN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)c2ccccc21,[*]N1CCN([*])C1=O,0.2263802,False
16788,CCCN(CC1CC1)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71804357,False
16789,CCCN(CCC)C1COc2c(cccc2C(O)(c2ccccc2)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7326163,False
16790,CCCc1cccc2c1OCC(N(CC)Cc1ccccc1C(=O)OC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.39540952,False
16791,CCOCN1CCN(c2ccc(C)s2)C1=O,[*]N1CCN([*])C1=O,0.3264436,False
16792,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1ccccc1C#N,[*]N1CCN([*])C1=O,0.79743165,False
16793,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c(O)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8781086,False
16794,COc1ccc(-c2csc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92450243,False
16795,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(C)c(-c3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32044366,False
16796,Cc1cccc(C2CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.7846114,False
16797,Cc1cccnc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8406113,False
16798,O=C(NCC=CCN1CCN(c2ccc(Oc3cccc(Cl)c3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48654073,False
16799,O=C(NCC=CCN1CCN(c2cccc3[nH]c(O)cc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69899076,False
16800,O=C1N(CCN2CCc3ccccc32)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.48664108,False
16801,O=C1N(CN2CCN(Cc3ccc(F)cc3)CC2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.56354076,False
16802,O=C1N(Cc2ccccc2)CCN1CC1CCC(CF)N1,[*]N1CCN([*])C1=O,0.47788218,False
16803,O=C1N(Cc2ccccc2)CCN1c1ccccc1COC1CCCCC1,[*]N1CCN([*])C1=O,0.33019853,False
16804,O=C1N(c2cccc(C3CCNCC3)c2)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.23054366,False
16805,CCCCN(CCC)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6399125,False
16806,CCCN(C(C)C)C1COc2c(cccc2Oc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.69019115,False
16807,CCCN(CC(=O)[O-])C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40090895,False
16808,CCCN(CCC)C1COc2c(cccc2-c2ccncc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7994313,False
16809,CCCN(CO)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.639915,False
16810,CCCc1cccc2c1OCC(N(C)CC(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.35579214,False
16811,CCN(C(C)C)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4516528,False
16812,CCN1CCCC1CNC(=O)c1c(C)ccc(C)c1OCO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6685207,False
16813,CCOc1c(C)ccc(C)c1C(=O)NCC1CCCN1S(C)(=O)=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.102129504,False
16814,CCc1ccc(C)c(C(=O)NCC2CCCN2CCCCl)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.40561077,False
16815,CN1CCC23CCC1CC(C2)C3N1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.41044164,False
16816,COc1cc(Br)ccc1C(=O)NCC=CCN1CCN(c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8072036,False
16817,COc1ccc(-c2cccs2)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9234904,False
16818,COc1ccc2ccccc2c1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35679847,False
16819,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87044847,False
16820,N#Cc1c(F)cccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.76079035,False
16821,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(Br)cc3)[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4356422,False
16822,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2[nH]c(O)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85687286,False
16823,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80965894,False
16824,O=C(NCc1ccc(F)cc1)N1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.12394832,False
16825,O=C1N(CC2CCOC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.56207323,False
16826,O=C1N(Cc2ccc3c(c2)CCC3)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.45552057,False
16827,O=C1N(Cc2ccc3ccccc3c2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.35789323,False
16828,C#CC(C)N1CCc2ccc(N3CCN(c4cccc(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.3828605,False
16829,CC(NC1CCC(C)(CN2CCN(c3cccc(Cl)c3)C2=O)C1)c1ccccc1,[*]N1CCN([*])C1=O,0.28857574,False
16830,CC1Cc2ccccc2N1C(=O)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.3920783,False
16831,CCCN(CC)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.74104077,False
16832,CCCN(CCC)C1COc2c(cccc2C(=O)c2c[nH]c(C)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52334064,False
16833,CCCN(c1cccs1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.61823994,False
16834,CCCOC1CCc2ccc(N3CCN(c4cccc(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.45470613,False
16835,CCc1ccc(C)c(OCCCCCl)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18176213,False
16836,CN1CCCCC(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.6333291,False
16837,CN1c2ccccc2CC2CCC1CCC2N1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.40108728,False
16838,COC1CCCCC1CN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.40546712,False
16839,COc1cc(Cl)ccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4845886,False
16840,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2cc3ccccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59662926,False
16841,COc1cccc(CCN2CCN(c3ccccc3Cl)C2=O)c1,[*]N1CCN([*])C1=O,0.3514303,False
16842,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc3ccc(OCCF)cc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69635457,False
16843,C[N+](O)c1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71577406,False
16844,Cc1cccc(N2CCN(CCN3Cc4ccccc4C(C)C3)C2=O)n1,[*]N1CCN([*])C1=O,0.7183245,False
16845,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccnc1,[*]N1CCN([*])C1=O,0.13384846,False
16846,O=C(NCC=CCN1CCN(c2ccc(-c3cc[nH]c3)cc2)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53917027,False
16847,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(Oc2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9237541,False
16848,O=C1N(CCN2Cc3ccccc3C2)CCN1C1CCC(O)CC1,[*]N1CCN([*])C1=O,0.70003366,False
16849,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.84598815,False
16850,O=C1N(c2cccc(Cl)c2)CCN1c1ccccc1COC1CCCCN1,[*]N1CCN([*])C1=O,0.44722292,False
16851,CC(C)N1CCCN(CCN2CCN(c3cccc(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8533007,False
16852,CCCc1cccc2c1OCC(N(CC)Cc1cccc(S(=O)(=O)F)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.37915146,False
16853,CCCc1cccc2c1OCC(N(CCC)C(=O)NCc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.43748564,False
16854,CCOCCN1CCN(Cc2ccc3sccc3c2)C1=O,[*]N1CCN([*])C1=O,0.27230707,False
16855,CCc1ccc(C)c(C(=O)NCC2CCCN2SC)c1OCCCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19662741,False
16856,CCc1ccc(OC)c(C(=O)NCC2CCCN2S(C)=O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2650112,False
16857,CCc1cccc2c1OCC(N(CC(=O)[O-])C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.21017267,False
16858,CN(C)c1ccccc1C(=O)NCC=CCN1CCN(c2c[nH]c3cc(F)ccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46165696,False
16859,COc1c(C(=O)NCCN2CCN(c3ccc(C#N)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8445706,False
16860,COc1c(C(=O)NCCN2CCN(c3cccc(C(=O)[O-])c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8631777,False
16861,COc1ccc2[nH]c(N3CCN(CC=CCNC(=O)c4ccc(OCCF)cc4)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35269377,False
16862,COc1cccc(N2CCN(CCCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8588888,False
16863,COc1cccc(N2CCN(CCN3CSc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.81295747,False
16864,COc1cccc2cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3692044,False
16865,Cc1ccc(CN(C)CN2CCN(c3cccc(Cl)c3)C2=O)cn1,[*]N1CCN([*])C1=O,0.37859485,False
16866,N#Cc1cccc(N2CCN(C3CCCN(CC(F)(F)F)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.4763026,False
16867,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.50123835,False
16868,O=C1N(CC2COc3ccccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.57932943,False
16869,O=C1N(CCCN2CC3CCCC2Cc2ccccc2C3)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.45123142,False
16870,O=C1N(COCc2cccc(Cl)c2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.3580525,False
16871,O=C1N(Cc2cccc(Cl)c2)CCN1c1ccc2c(c1)Cc1ccccc1-2,[*]N1CCN([*])C1=O,0.49795744,False
16872,O=C1N(c2ccccc2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.22643855,False
16873,CC(C)Oc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccon3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8547866,False
16874,CC(c1cccc(Cl)c1)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.79597986,False
16875,CC1CCC(N2CCN(Cc3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.46653286,False
16876,CCCCN(c1ccc(C)cc1)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.20971133,False
16877,CCN(CC(C)=O)C1COc2c(CC(C)C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2870604,False
16878,CCc1cccc2c1OCC(N(CC(C)C)c1ccc(-c3ccccc3)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.49897602,False
16879,CN(C)Cc1cccc(CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.48469773,False
16880,CN(CCN1CCN(c2ccccn2)C1=O)Cc1cccc(C#N)c1,[*]N1CCN([*])C1=O,0.47783995,False
16881,CN1CC2(CN3CCN(c4cccc(Cl)c4)C3=O)CCC1C(C)(C)C2,[*]N1CCN([*])C1=O,0.669475,False
16882,CN1CCN(Cc2cccc(CN3CCN(c4cc(Cl)cc(Cl)c4)C3=O)c2)CC1,[*]N1CCN([*])C1=O,0.6385229,False
16883,COc1c(C(=O)NCCN2CCN(c3cc[nH]c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8686222,False
16884,COc1c(C(=O)NCCN2CCN(c3ccc([N+](C)=O)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8718582,False
16885,COc1c(C(=O)NCCN2CCN(c3ccccc3S(=O)(=O)O)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8477548,False
16886,COc1ccccc1N1CCN(CC=CCNC(=O)NC(=O)c2cccc(F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8972594,False
16887,N#CC1Cc2ccccc2C(N2CCN(c3ccc(Cl)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.40982553,False
16888,O=C(CN1CCN(Cc2ccccc2)C1=O)NC1COc2ccccc21,[*]N1CCN([*])C1=O,0.17892429,False
16889,O=C(NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2-3)CC1)c1ccccc1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52039474,False
16890,O=C(NCC=CCN1CCN(c2ccc3c(c2)OCO3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36858684,False
16891,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NC(=O)c1ccc[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8574214,False
16892,O=C1N(CCN2CCCCCC2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.6664598,False
16893,O=C1N(CCN2CCc3c(Cl)cccc32)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.5057124,False
16894,O=C1N(c2ccc(Cl)c(Cl)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.29763746,False
16895,CC1(C)CC2CCC(CN(CN3CCN(c4cccc(Cl)c4)C3=O)C2)C1,[*]N1CCN([*])C1=O,0.6588597,False
16896,CCCCN(CC)C1COc2c(cccc2C(=O)c2cc3ccccc3[nH]2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.35145107,False
16897,CCCN1CCc2ccccc2C1C(O)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.56548315,False
16898,CCCc1cccc2c1OCC(N(CO)Cc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5419416,False
16899,CCOc1c(C)ccc(Br)c1C(=O)NCC1CCCN1C(C)=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15977861,False
16900,CN(C)c1ccc(N2CCN(CC=CCNC(=O)c3cccc(OCCF)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37775588,False
16901,COc1c(C(=O)NCCN2CCN(c3ccc(N(C)C)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.85653126,False
16902,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4CCF)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3900179,False
16903,COc1cccc(CN2CCC(N3CCN(c4cc(Cl)cc(Cl)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.61540455,False
16904,C[N+](=O)c1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9052122,False
16905,Cc1ccccc1-c1c(C(=O)NCCN2CCN(CO[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.27699107,False
16906,O=C(NCC=CCN1CCN(c2ccc3ccc(O)nc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5264004,False
16907,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cc[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8703191,False
16908,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccccc2c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90964663,False
16909,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccoc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9238972,False
16910,O=C(NCC=CCN1CCN(c2cccc(Oc3ccccc3F)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4188409,False
16911,O=C(NCC=CCN1CCN(c2sc3ccccc3c2O)CC1)c1cc(Cl)cc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47812518,False
16912,O=C1N(CCF)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.42827633,False
16913,O=C1N(CCN2CCC3CCCc4ccccc4CC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6552101,False
16914,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.70372903,False
16915,O=C1N(CCN2CCCc3sccc3C2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.5591906,False
16916,O=C1N(Cc2ccccc2)CCN1C1COc2ccccc2C1,[*]N1CCN([*])C1=O,0.5547375,False
16917,CCCN(CC)C1COc2c(Cc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.66708434,False
16918,CCCN(CCC)C1COc2c(cccc2C(C)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7279047,False
16919,CCCc1ccc(C)c(OCC)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1564035,False
16920,CCN(CC(F)(F)F)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5621416,False
16921,CCN1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1C,[*]N1CCN([*])C1=O,0.7328992,False
16922,CCc1ccc(F)c(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25216115,False
16923,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C(C)=O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4738033,False
16924,COc1c(C(=O)NCCN2CCN(C=Cc3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.44982907,False
16925,COc1ccc(-c2cccc(C(=O)NCC=CCN3CCN(c4ccc(Cl)cc4)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4942113,False
16926,COc1ccc(-c2ccccc2C(=O)NCC=CCN2CCN(c3ccc(OCCF)cc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3831602,False
16927,COc1cccc(O)c1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9348922,False
16928,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(F)cc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5121824,False
16929,COc1ccccc1N1CCN(CC=CCNC(=O)C2=C[N+]c3ccccc3C=C2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7444466,False
16930,Cc1c(Cl)cccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7425863,False
16931,Cc1ccc(O)nc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40382397,False
16932,N#Cc1ccc2c(c1)C(CN1CCN(c3cccc(Cl)c3)C1=O)NCC2,[*]N1CCN([*])C1=O,0.5591657,False
16933,N#Cc1ccccc1C1CCN(CCN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.708072,False
16934,O=C(NCC=CCN1CCN(c2c[nH]c3ccc(O)cc23)CC1)c1ccccc1CF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4908331,False
16935,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1[nH]ccc1-c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86944723,False
16936,O=C1N(CC2CNCCO2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5638123,False
16937,O=C1N(CCN2C3CCCCC2CCC3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.53640026,False
16938,O=C1N(c2ccc3c(c2)Cc2ccccc2C3)CCN1c1ccc2c(c1)NCCC2,[*]N1CCN([*])C1=O,0.3972836,False
16939,CCOc1c(C)ccc(SO)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14491206,False
16940,CN1Cc2cccc(CN3CCN(c4cccc(Cl)c4)C3=O)c2CC2CC21,[*]N1CCN([*])C1=O,0.67260987,False
16941,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([S+](C)N)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3826446,False
16942,COc1ccc2[nH]cc(N3CCN(CC=CCNC(=O)c4ccccc4F)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48255727,False
16943,COc1cccc(N2CCN(CC(=O)NCc3cccc(C)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.115266934,False
16944,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(O)nc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44969994,False
16945,Cc1ccc(CN(C)CCN2CCN(Cc3cccc(Cl)c3)C2=O)s1,[*]N1CCN([*])C1=O,0.3457284,False
16946,Cc1ccc(O)c(OCl)c1C(=O)NCC1CCCN1CC[O-],[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.3383456,False
16947,Cc1cccc(-c2c(C(=O)NCCN3CCN(C=O)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39128298,False
16948,Cc1cccc(N2CCN(CCN3CCCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7744815,False
16949,Cc1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3N)CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7671724,False
16950,Nc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91117173,False
16951,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.15211558,False
16952,O=C(NCC=CCN1CCN(C2=CC=Cc3ccc(O)cc3O2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.27505952,False
16953,O=C(NCC=CCN1CCN(c2cc3ccccc3[nH]2)CC1)c1cccc(OCCF)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43739447,False
16954,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54314506,False
16955,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9627235,False
16956,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.9008722,True
16957,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc([N+](=O)[O-])cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7013073,False
16958,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1C(F)(F)F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7908067,False
16959,O=C1N(CCN2CCN(CC(F)(F)F)CC2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.68239546,False
16960,O=C1N(CCN2CCNCC2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.5073316,False
16961,O=C1N(CCN2CCc3ccccc3CC23CCCCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6066159,False
16962,CC(C)Oc1ccccc1N1CCN(c2ccc3ccccc3c2)C1=O,[*]N1CCN([*])C1=O,0.18954064,False
16963,CC1c2ccccc2CN1CCN1CCN(c2cccc3ccoc23)C1=O,[*]N1CCN([*])C1=O,0.5642878,False
16964,CCCN(CCC)C1COc2c(cccc2-c2ccccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7031356,False
16965,CCCc1cccc2c1OCC(N(CO)C(=O)c1ccc3[nH]ccc3c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.18982327,False
16966,CCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7004902,False
16967,COc1cc(OC)c(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)cc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9243479,False
16968,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1CO,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3653282,False
16969,COc1ccc(O)c(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88503265,False
16970,COc1cccc(N2CCN(CNCC34CCCC(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.38209993,False
16971,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(O)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4458008,False
16972,COc1ccccc1N1CCN(CC=CCNC(=O)c2c(Cl)cccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8710177,False
16973,Cc1cc(O)n(N2CCN(CC=CCNC(=O)c3cccc(OCCF)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.21218078,False
16974,Cc1ccc(N2CCN(CC3NCCc4oc(C)cc43)C2=O)cc1,[*]N1CCN([*])C1=O,0.34309,False
16975,Cc1ccc(N2CCN(CC3c4ccccc4CN3C)C2=O)cc1,[*]N1CCN([*])C1=O,0.550664,False
16976,O=C(NCC=CCN1CCN(c2cc3ccccc3o2)CC1)c1ccccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.31934476,False
16977,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NC(=O)c1ccc(F)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9064871,False
16978,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(O)c2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.907089,False
16979,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccn(-c2ccccn2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8710426,False
16980,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4944449,False
16981,O=C(NCC=CCN1CCN(c2ccncc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56256324,False
16982,O=C1N(CC2(CF)CCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.47190076,False
16983,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccon1,[*]N1CCN([*])C1=O,0.75500894,False
16984,O=C1N(Cc2cccc(Cl)c2)CCN1C(Cc1ccccc1)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.4838905,False
16985,CC(C)N(C)Cc1cccc(N2CCN(c3ccc(Cl)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.25812384,False
16986,CC1CCCCN(CCN2CCN(c3cc(Cl)ccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.5254056,False
16987,CCCN(CC1COC2(CCCC2)CC1=O)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41805142,False
16988,CCCN(CCC)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7825303,False
16989,CCCN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.38646203,False
16990,CCCc1cccc2c1OCC(N(CCC)Cc1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.72507554,False
16991,CCOc1c(OC)ccc(CCCCl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.263008,False
16992,CN1CC2(CN3CCN(c4cccc(Cl)c4)C3=O)CCC1Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.7053969,False
16993,COc1cc(Br)cc(N2CCN(CC=CCNC(=O)c3ccccc3C)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43090668,False
16994,COc1ccc(Br)c(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48687983,False
16995,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(O)n4)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3802144,False
16996,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93719476,False
16997,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2-c2cccc(F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8983647,False
16998,N#Cc1cc(N2CCN(C(F)(F)F)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.22793351,False
16999,O=C(NCC=CCN1CCN(C2Cc3ccccc3-c3ccccc3C(O)C2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47938323,False
17000,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9249414,False
17001,O=C(NCC=CCN1CCN(c2ccccc2-c2cccc(CO)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.800165,False
17002,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc2nccnc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76181984,False
17003,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccccc2O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8699694,False
17004,O=C1N(CC2CCCCN2Cc2ccccc2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.36858106,False
17005,O=C1N(CCN2CC3CCCC(C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8959558,False
17006,O=C1N(CCN2CC3CCc4ccccc4CC2CC3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.62776464,False
17007,O=C1N(CCN2Cc3ccccc3O2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7589149,False
17008,O=C1N(Cc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.46658182,False
17009,C=C(C)CN(CCC)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5309726,False
17010,CC(C)NCN1CCN(c2cccs2)C1=O,[*]N1CCN([*])C1=O,0.15681128,False
17011,CC12CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC(C)(C1)C(C)(C)C2,[*]N1CCN([*])C1=O,0.828786,False
17012,CCCN(C)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5666221,False
17013,CCCN(CO)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6295201,False
17014,CCCSN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16268933,False
17015,CN(Cc1cccc(F)c1)CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.76828873,False
17016,COc1c(C(=O)NCCN2CCN(c3ccc(Cl)c([N+](=O)[O-])c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7740174,False
17017,COc1cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc(OC)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4411445,False
17018,COc1ccccc1C(=O)NCC=CCN1CCN(c2c[nH]c(F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40428615,False
17019,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(C)ccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47661722,False
17020,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OC)c([N+](=O)[O-])c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37692028,False
17021,COc1ccccc1N1CCN(CC=CCNC(=O)CC2c3ccccc3-c3ccccc32)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71572584,False
17022,Cc1ccccc1-c1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8411146,False
17023,O=C(NCC=CCN1CCN(c2ccc3c(c2)CNCC3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49686626,False
17024,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Cl)cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9299266,False
17025,O=C(NCC=CCN1CCN(c2cccc3c2CC(O)c2ccccc2Cc2ccccc2-3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7094094,False
17026,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc2ccsc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67975307,False
17027,O=C1N(CCN2CCCC(C(F)(F)F)CC2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.8763587,False
17028,O=C1N(CN2CC3CCCc4ccccc4CC2CC3)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.52362126,False
17029,C=Cc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4121419,False
17030,CCCCN(OC(F)(F)c1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51060873,False
17031,CCCN(C(=O)c1ccco1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.31239173,False
17032,CCCN(Cc1ccc(C(F)(F)F)cc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6171373,False
17033,CCCc1ccc(OC)c(C(=O)NCC2CCCN2Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2579961,False
17034,CCN1CCCC1CNC(=O)c1c(Br)ccc(CO)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9050997,False
17035,CCc1cccc2c1OCC(N(CC(C)=O)C(C)(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.29250595,False
17036,COc1cccc(N2CCN(CC34CCC3CC(C)(C)C4)C2=O)c1,[*]N1CCN([*])C1=O,0.46258524,False
17037,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3ccccc3nc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5099382,False
17038,COc1ccccc1CN1C2CCC1CC(CN1CCN(c3ccccc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.31239748,False
17039,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(F)c(N)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8567036,False
17040,COc1cccnc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.896176,False
17041,Cc1ccc(N2CCN(CCN3CCN(C(C)C)C3=O)CC2)cc1,[*]N1CCN([*])C1=O,0.5390105,False
17042,Cc1ncc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1-c1ccccc1,[*]N1CCN([*])C1=O,0.7568703,False
17043,N#Cc1cccc(CN2CCN(CCN3CCC(c4ccccc4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.84130293,False
17044,O=C(CN1CCN(CC(F)(F)F)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.18052934,False
17045,O=C(NCC=CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1SCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38567072,False
17046,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1-c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88267386,False
17047,O=C1N(CCN2CCCCc3ccccc3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5993487,False
17048,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.75743866,False
17049,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cnc2ccccc2c1,[*]N1CCN([*])C1=O,0.6713034,False
17050,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccccc1-c1ccccc1,[*]N1CCN([*])C1=O,0.7452123,False
17051,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)Cc1ccccc1S2,[*]N1CCN([*])C1=O,0.8619454,False
17052,CCCN(C1COc2c(cccc2C(C)C)C1)n1cc(C(F)(F)F)ccc1=O,[*]CN([*])C1COc2c([*])cccc2C1,0.46320298,False
17053,CCCN(CCC)C1COc2c(Cc3ccsc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8169528,False
17054,CCCc1cccc2c1OCC(N(CC)Cc1ccc(CC(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6335326,False
17055,CCN(CCN1CCN(c2cccc(Cl)c2)C1=O)C1CCCc2ccccc21,[*]N1CCN([*])C1=O,0.7220798,False
17056,COCC1C2CC(N3CCN(c4cccc(Cl)c4)C3=O)CC1N(C)C2,[*]N1CCN([*])C1=O,0.52480507,False
17057,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2CO)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.41345456,False
17058,COc1c(C(=O)NCCN2CCN(c3ccc(OCc4ccccc4)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.83095247,False
17059,COc1cc(F)ccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40070778,False
17060,COc1ccc(CCF)cc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85954404,False
17061,COc1ccc(OCCF)c(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9773279,False
17062,COc1ccc2nc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36590457,False
17063,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(C)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51926,False
17064,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8611189,False
17065,Cc1cc2ccccc2cc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8226827,False
17066,Cc1ccccc1N1CCN(CCN2CCCCC2C)C1=O,[*]N1CCN([*])C1=O,0.36361074,False
17067,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(-c2cccnc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4991956,False
17068,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1ccc([N+](=O)[O-])cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4490743,False
17069,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2ccc(O)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93500245,False
17070,O=C(NCC=CCN1CCN(c2ccn[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42173418,False
17071,O=C1N(CCN2CC=Cc3ccsc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.6820148,False
17072,O=C1N(Cc2cc3ccccc3s2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.2806245,False
17073,O=C1N(c2ccccc2)CCN1C1CCCc2ccccc2C1O,[*]N1CCN([*])C1=O,0.30660868,False
17074,CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.33420137,False
17075,CC1Cc2ccccc2N1C(=O)CN1CCN(c2ccc3ccccc3c2)C1=O,[*]N1CCN([*])C1=O,0.31684119,False
17076,CCCN(CC(F)(F)F)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5881388,False
17077,CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1CO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.33965808,False
17078,CCc1ccc(C)c(C(=O)NCC2CCCN2S(C)=O)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17382327,False
17079,COCc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.85769594,False
17080,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc([N+](=O)[O-])s2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.31462497,False
17081,COc1cc[nH]c1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40514258,False
17082,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3ccc(O)cc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41278514,False
17083,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(O)cn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87260866,False
17084,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)NC(=O)CC3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80058914,False
17085,Cc1ccc(CN2CCCCCC2)cc1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.358557,False
17086,Cc1nc(F)ccc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9037382,False
17087,Cc1nc2ccc(N3CCN(c4cccc(Cl)c4)C3=O)cc2s1,[*]N1CCN([*])C1=O,0.19312266,False
17088,O=C(NCC=CCN1CCN(c2ccc3ccsc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3511475,False
17089,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)c(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.933615,False
17090,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)N(c1ccccc1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87281215,False
17091,O=C1N(C2CCOOC2)CCN1C1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.3034683,False
17092,O=C1N(CC2CCc3ccccc32)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.47361174,False
17093,O=C1N(CCc2cccc(Cl)c2)CCN1CC(=O)N1CCc2ccccc21,[*]N1CCN([*])C1=O,0.279492,False
17094,O=C1N(Cc2ccc(F)cc2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.3576584,False
17095,O=C1N(Cc2cccc(Cl)c2)CCN1CC1(O)CCNCC1,[*]N1CCN([*])C1=O,0.23360386,False
17096,CC1(CN2CCN(c3cccc(Cl)c3)C2=O)CCNCC1,[*]N1CCN([*])C1=O,0.5111109,False
17097,CCCN(COC)C1COc2c(CCCN3C(=O)CCC4(CCCC4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.584096,False
17098,CCCN(Cc1ccccc1C(C)C)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57552046,False
17099,CCCN(Cc1cnc[nH]1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6088419,False
17100,CCCc1cccc2c1OCC(N(CC(C)=O)C1CCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.32499608,False
17101,CCCc1cccc2c1OCC(N(CCC)Cc1ccc(-c3ccc(OC)cc3)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6993424,False
17102,CCN(C)CCN1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.5987643,False
17103,CCc1ccc(Br)c(C(=O)NCC2CCCN2S)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25488365,False
17104,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3)cn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39156425,False
17105,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2NC(C)=O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5229056,False
17106,Cc1ccc(C)c(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.24775283,False
17107,Cc1cccc(CN(C)CCN2CCN(c3cccc(C)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.66556245,False
17108,Cc1cccc(CN(C)CN2CCN(c3ccccn3)C2=O)c1,[*]N1CCN([*])C1=O,0.25309372,False
17109,O=C(NCC=CCN1CCN(C(=O)c2ccc(F)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.20034394,False
17110,O=C(NCC=CCN1CCN(c2ccc(Cl)c(F)c2)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59892815,False
17111,O=C(NCC=CCN1CCN(c2ccc(O)nc2-c2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64131397,False
17112,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1coc2ccc(O)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77480495,False
17113,O=C1N(CC2CCNCC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.61969393,False
17114,O=C1N(CCN2CC3CCCCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7189078,False
17115,O=C1N(CCN2CCc3ncccc3C2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.6721561,False
17116,O=C1N(Cc2ccc3sccc3c2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.2782543,False
17117,O=C1N(c2ccc3c(c2)OCOC3)CCN1C1CCCc2sccc2C1,[*]N1CCN([*])C1=O,0.340232,False
17118,O=C1N(c2cccc(C(F)(F)F)c2)CCN1c1cccc2c1OCCC2,[*]N1CCN([*])C1=O,0.25523433,False
17119,CC(CN1CCN(c2ccccc2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.3638736,False
17120,CCCc1cccc2c1OCC(N(CCC)c1ccc(Cl)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.61178833,False
17121,CCc1ccc(C)c(C(=O)NCC2CCCN2C)c1OF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17234229,False
17122,CCc1cccc2c1OCC(N(CC(C)C)c1ccc([N+](=O)[O-])cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3479531,False
17123,CNc1c(OC)cccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(F)cc3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3943463,False
17124,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(Cl)c2Cl)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38798997,False
17125,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2[N+](=O)c2ccccc2[N+](=O)[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39035794,False
17126,COc1c([O-])cccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.84712833,False
17127,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(C)cc3C)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39743954,False
17128,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3976333,False
17129,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(C)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8118951,False
17130,Cc1nc2c(N3CCN(Cc4cccc(Cl)c4)C3=O)cccc2s1,[*]N1CCN([*])C1=O,0.21907844,False
17131,O=C(NCC=CCN1CCN(c2ccc(-c3ncc[nH]3)cc2)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5804859,False
17132,O=C(NCC=CCN1CCN(c2ccc(-n3ccnc3)cc2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49959627,False
17133,O=C(NCC=CCN1CCN(c2ccc(O)c([N+](=O)[O-])c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39139578,False
17134,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(Cl)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54118264,False
17135,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(O)c(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8813529,False
17136,O=C(NCCN1CCN(O[N+](=O)[O-])CC1)c1cc(Br)c2ccccc2c1-c1ccccc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.30187964,False
17137,O=C1N(CC2C3CCCNC2CC3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.3910529,False
17138,O=C1N(CC2CCCNCC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.39257815,False
17139,O=C1N(c2ccc(Cl)c(Cl)c2)CCN1C1CCCN(Cc2cccc(OC(F)(F)F)c2)C1,[*]N1CCN([*])C1=O,0.3610962,False
17140,CCCCN(CC)C1COc2c(cccc2C(=O)C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4425953,False
17141,CCCN(CCC)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.66187054,False
17142,CCc1ccc(O)c(C(=O)NCC2CCCN2O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2390942,False
17143,CCc1ccc(OC)c(OS(C)=O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2761521,False
17144,CCc1cccc2c1OCC(N(CC(C)C)C(=O)c1ccco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.25677612,False
17145,CN1CCCN(CCN2CCN(c3ccccn3)C2=O)C1,[*]N1CCN([*])C1=O,0.6237869,False
17146,CN1CCN(c2cccc(C#N)c2)C(CN2CCN(CC(F)(F)F)C2=O)C1,[*]N1CCN([*])C1=O,0.467439,False
17147,COCC1Cc2ccccc2CC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5642635,False
17148,COc1c(C(=O)NCCN2CCN(c3cc(Cl)ccc3Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7839161,False
17149,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(Cl)ccc2N)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55081713,False
17150,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(CCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47183672,False
17151,COc1ccccc1N1CCN(CCN2CC3CCc4ccccc4CC2CC3)C1=O,[*]N1CCN([*])C1=O,0.5230116,False
17152,Cc1ccc(N2CCN(CCN3CC4CCCC3Cc3ccccc3C4)C2=O)s1,[*]N1CCN([*])C1=O,0.500581,False
17153,Cc1cccnc1-c1ccc(N2CCN(CC=CCNC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42644978,False
17154,N#CC1CCCCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.75027376,False
17155,O=C(NCC=CCN1CCN(c2cc3ccccc3s2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42015916,False
17156,O=C(NCC=CCN1CCN(c2ccc3nc[nH]c3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3926873,False
17157,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc[nH]c1-c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84433794,False
17158,O=C1N(CC2CCc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.62564886,False
17159,O=C1N(CCN2CCC3CCC(CC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.9101718,False
17160,O=C1N(CCN2CCCC(Cc3ccc(F)cc3)C2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.5174331,False
17161,O=C1N(c2cccc(CN3CCCCC3)c2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.39526054,False
17162,CCCc1cccc2c1OCC(N(CCC)c1cccc(Cl)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.56483954,False
17163,CCN1CCCC1CNC(=O)c1c(Br)ccc(Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.89173967,False
17164,CCOCN1CCN(CN2CCN(C(C)C)Cc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.33000213,False
17165,CN1C=CC=CC=C1CCC(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6971673,False
17166,COCC1CCCN1CN1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.35513067,False
17167,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(C)c2[N+])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34733734,False
17168,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2ccccc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6400974,False
17169,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)cc1N,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9498765,False
17170,COc1ccc2c(c1)CCc1cc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)ccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43373007,False
17171,COc1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3[N+](=O)[O-])CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.73022217,False
17172,COc1ccccc1Cc1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4324966,False
17173,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(F)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9126916,False
17174,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88738,False
17175,Cc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36033615,False
17176,Cc1cccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59175646,False
17177,N#Cc1cccc(CN2CCCC(N3CCN(c4cccc(Cl)c4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.4508053,False
17178,O=C(NCC=CCN1CCN(c2ccc(-c3ncco3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48636785,False
17179,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(OCc2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92383945,False
17180,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(-c2cccc(O)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7931636,False
17181,O=C1N(CCN2CC3CCc4ccccc4CC2CC3)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.59625125,False
17182,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc2c1CCOC2,[*]N1CCN([*])C1=O,0.6439563,False
17183,O=C1N(CCN2Cc3ccccc3CC3CCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.77514577,False
17184,C=S(=O)(O)CN(c1ccoc1)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41675174,False
17185,CC(C)Nc1cccc(N2CCN(C3CCCCCN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.22592328,False
17186,CC(CN1CCN(c2ccccc2)C1=O)OCC#N,[*]N1CCN([*])C1=O,0.2093857,False
17187,CC1(C)C2CCC1(CN1CCN(c3cccc(Cl)c3)C1=O)CCNC2,[*]N1CCN([*])C1=O,0.6423308,False
17188,CC1(C)CCCNC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.64862126,False
17189,CC1CCCCN(CN2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.41503367,False
17190,CC1CCc2ccccc2N1CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.5516914,False
17191,CCCCN(C1COc2c(CC)cccc2C1)S(=O)(=O)c1cccs1,[*]CN([*])C1COc2c([*])cccc2C1,0.53465617,False
17192,CCc1ccc(CC)c(C(=O)NCC2CCCN2C)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2172337,False
17193,CCc1ccc(F)c(C(=O)NCC2CCCN2Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21221842,False
17194,COCN(C(C)=O)C1COc2c(CCCN3C(=O)CC4(CCCC4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43250006,False
17195,COc1cccc(C2CCCN(CCN3CCN(Cc4ccccc4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.7034252,False
17196,Cc1cccc(N2CCN(CC34CCCCC(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.4293526,False
17197,Cc1cncc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89100957,False
17198,O=C(CN1CCN(c2ccc(Cl)cc2Cl)C1=O)N1CCCCCC1,[*]N1CCN([*])C1=O,0.0652869,False
17199,O=C(NCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1cc(Br)c2ccccc2c1Cl,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.698799,False
17200,O=C(NCCN1CCN(c2ccccc2)CC1)c1cc(Br)c2ccccc2c1Cl,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8275298,False
17201,O=C1N(CCN2CC3CCCc4ccccc4CC2CC3)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.55739623,False
17202,O=C1N(CCN2CCC(c3ccccc3)CC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.7525406,False
17203,O=C1N(CCN2CCc3ccccc32)CCN1Cc1cccs1,[*]N1CCN([*])C1=O,0.45717147,False
17204,O=C1N(CN2CC3CCc4ccccc4CC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.52190304,False
17205,O=C1N(CN2CCCc3sccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.62837255,False
17206,O=C1N(c2ccccc2Cl)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.24903183,False
17207,CC1=CC=CCN(CCN2CCN(C)C2=O)C1,[*]N1CCN([*])C1=O,0.49359086,False
17208,CC1Cc2ccccc2N1C(=O)CN1CCN(c2cc(F)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.3500104,False
17209,CCCCN(CC)C1COc2c(cccc2-c2cc(C(C)=O)cs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.34620744,False
17210,CCCCN(CCCN1CCC(C)(C)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5894882,False
17211,CCCCN(OC)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5653858,False
17212,CCCN(C(C)C)C1COc2c(Cc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6543362,False
17213,CCCN(CO)C1COc2c(CCNC(C)=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45591974,False
17214,CCCN(COc1ccc(C(F)(F)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.59411925,False
17215,CCCOC1CCCc2cccc(N3CCN(c4cccc(Cl)c4)C3=O)c21,[*]N1CCN([*])C1=O,0.4117646,False
17216,CCc1cccc2c1OCC(N(Cc1ccsc1)C(C)CC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4154235,False
17217,CN(Cc1ccc(F)cc1)CN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.43851998,False
17218,COCC1Cc2ccccc2C1N1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.43479812,False
17219,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(CN(C)C)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34201506,False
17220,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)nc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43574947,False
17221,COc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40510577,False
17222,Cc1ccccc1Oc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8735168,False
17223,O=C(NCC=CCN1CCN(c2cc(-c3ccccc3)ccc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59872365,False
17224,O=C(NCC=CCN1CCN(c2ccc[nH]2)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4126853,False
17225,O=C(NCN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1)c1ccccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.27633977,False
17226,O=C1N(CC2Cc3ccccc3N2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6763782,False
17227,O=C1N(CCN2CC3CCCC2CC3)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.5536464,False
17228,O=C1N(CCN2CCCCCC2)CCN1c1cccc([N+](=O)[O-])c1,[*]N1CCN([*])C1=O,0.6077588,False
17229,O=C1N(Cc2ccc(Cl)cc2)CCN1Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.3492922,False
17230,O=C1N(c2cc(F)cc(Cl)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.28040588,False
17231,CC(C)c1cccc(N2CCN(CC3CCCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.45439595,False
17232,CCCc1cccc2c1OCC(N(CCC)C1(C(C)C)CCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.58540165,False
17233,CCN1Cc2ccsc2CCCC1N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.46415505,False
17234,CCOc1c(C)ccc(Cl)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1713733,False
17235,CN1CCCC(N2CCN(Cc3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.51776534,False
17236,CN1CCCCCC1CN1CCN(c2ccccn2)C1=O,[*]N1CCN([*])C1=O,0.41693807,False
17237,COCCN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.40461087,False
17238,COc1c(C(=O)NCCN2CCN(c3ccc4c(c3)OCO4)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7560251,False
17239,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(Cl)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6910158,False
17240,COc1ccc(Oc2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9097359,False
17241,COc1ccc2c(c1)CCOC2N1CCN(CC=CCNC(=O)c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34247786,False
17242,COc1cccc(F)c1C(=O)NCC=CCN1CCN(c2ccc3cccc(OC)c3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31290787,False
17243,COc1cccc(N2CCN(C3CCC(OC(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.2152654,False
17244,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(O)o3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87239856,False
17245,Cc1ccc(O)cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47134435,False
17246,Cc1cccc(N2CCN(CC3CC(C)(C)CCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.5537881,False
17247,O=C(CN1CCN(c2ccccc2Cl)C1=O)c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.16017498,False
17248,O=C(NCC=CCN1CCN(c2c(F)cccc2Cl)CC1)c1ccc(-c2cccc(O)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44807634,False
17249,O=C(NCC=CCN1CCN(c2cc(F)ccc2F)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68522114,False
17250,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1)c1ccc2c(c1)C(=O)c1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5221667,False
17251,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5294981,False
17252,O=C1N(CC2CCc3ccccc3N2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6338796,False
17253,CC1(C)C2CCCC1(CNCCN1CCN(c3ccccc3Cl)C1=O)CC2,[*]N1CCN([*])C1=O,0.3604848,False
17254,CCCCN(CC)C1COc2c(cccc2OS(=O)(=O)c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.36632982,False
17255,CCCN(C(C)C)C1COc2c(cccc2-c2cccc(F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.60031927,False
17256,CCCN(CCC)C1COc2c(cccc2C(=O)c2coc3ccccc23)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6104275,False
17257,CCCN(CCc1ccc(OC)cc1)C1COc2c(cccc2C2CCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.73411983,False
17258,CCCN1c2ccccc2CCCCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.56454945,False
17259,CN(C)c1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8864645,False
17260,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC12CCC(CC1)C(C)(C)C2,[*]N1CCN([*])C1=O,0.79422724,False
17261,COc1c(C(=O)NCCN2CCN(c3ccccc3-c3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8964871,False
17262,COc1ccc(C)c(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4962697,False
17263,COc1ccc2nccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.58958274,False
17264,COc1cccc(CCN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.6698024,False
17265,COc1cccc(CCNCN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.35619077,False
17266,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2C=O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94972813,False
17267,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccnc2-c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8844676,False
17268,Cc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)ncc1-c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.24745925,False
17269,Cc1csc(N2CCN(CC3CCCCN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.35583395,False
17270,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6139071,False
17271,O=C(NCC=CCN1CCN(c2ccc(O)c(Br)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46466473,False
17272,O=C(NCC=CCN1CCN(c2cccc3c2-c2ccccc2CC3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.61818194,False
17273,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccc(O)nc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8494807,False
17274,O=C1N(CCN2CCN(CC(F)(F)F)CC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.7616086,False
17275,CC1CCCC(CN2CCN(c3ccc(F)c(Cl)c3)C2=O)N1,[*]N1CCN([*])C1=O,0.44915128,False
17276,CC1Cc2ccccc2N1CCN1CCN(Cc2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.5022459,False
17277,CCCN(C(C)C)C1COc2c(cccc2-c2ccc(C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5270641,False
17278,CCCN(CCc1ccoc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6601833,False
17279,CCCc1ccc(SC)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.691944,False
17280,CCCc1cccc2c1OCC(N(C)CO)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5149812,False
17281,CCCc1cccc2c1OCC(N(CCC)c1ccc(=O)oc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.52336174,False
17282,CN1CC2CCC1CC(CN1CCN(c3cccc(Cl)c3)C1=O)OC2,[*]N1CCN([*])C1=O,0.5920872,False
17283,COc1cc2cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96080744,False
17284,COc1ccc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)c(Cl)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.48225725,False
17285,COc1ccc(-c2cc(N3CCN(CC=CCNC(=O)c4cccc(OC)c4Cl)CC3)c[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43647656,False
17286,COc1ccc2c(c1)CC(CN1CCN(c3cccs3)C1=O)CC2,[*]N1CCN([*])C1=O,0.47329143,False
17287,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)sc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94966847,False
17288,COc1ccccc1N1CCN(CC=CCNC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87129873,False
17289,Cc1ccc([N+](=O)[O-])c(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78823406,False
17290,Cc1ccc2c(c1)CN(CCN1CCN(c3cccc(C(F)(F)F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.6992607,False
17291,O=C(NCC=CCN1CCN(c2cc3ccccc3[nH]2)CC1)c1ccc(OCCF)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44611102,False
17292,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C(=O)OCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85762805,False
17293,O=C1N(CC(F)(F)F)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.29187572,False
17294,O=C1N(CCN2CC3CCC2Cc2ccccc2C3)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.66175663,False
17295,O=C1N(CCNC2CCc3sccc3C2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.55449057,False
17296,C=[N+]([O-])c1cccc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.29509857,False
17297,CC(C)N1CCN(CCN2CCN(c3cccs3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6056703,False
17298,CC(C)c1cccc(N2CCN(CCCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6904746,False
17299,CC1(C)CCC2(CCCCN(CCN3CCN(c4cc(Cl)ccc4F)C3=O)C2)C1,[*]N1CCN([*])C1=O,0.52354133,False
17300,CC1Cc2ccccc2N1C(=O)CN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.35262966,False
17301,CCCCN(CCC)C1COc2c(cccc2OCc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7394035,False
17302,CCCN(CCC)C1COc2c(cccc2-c2ccsc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.66579384,False
17303,CCCc1cccc2c1OCC(N(CC)Cc1ccc(OC)cc1OC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5929087,False
17304,CCCc1cccc2c1OCC(N(CC)Cc1cccc(Cl)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5122968,False
17305,CCCc1cccc2c1OCC(N(CO)C1CCC(C(C)=O)CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3576214,False
17306,CCN1CCCC1CNC(=O)c1c(C)ccc(Br)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6892196,False
17307,CCN1CCCC1CNC(=O)c1c(OC)ccc(CS)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.91890365,False
17308,CCc1cccc2c1OCC(N(CC(C)C)CC(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.48997185,False
17309,COCC1CNCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.45538846,False
17310,COc1cccc(N2CCN(CCOC3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.6624953,False
17311,COc1cccc2c1CCN2CCN1CCN(c2ccc3sccc3c2)C1=O,[*]N1CCN([*])C1=O,0.4110699,False
17312,Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.8670469,False
17313,O=C(NCC=CCN1CCN(c2cc3cccc(O)c3[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45639896,False
17314,O=C(NCC=CCN1CCN(c2ccc(O)c(OCF)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43240184,False
17315,O=C1N(CC2CCCCN2)CCN1c1cccc(OCCF)c1,[*]N1CCN([*])C1=O,0.61099625,False
17316,CCCCN(CC)C1COc2c(Cc3ccc(OC)cc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53655565,False
17317,CCCCOc1c(Br)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19053479,False
17318,CCCCc1cccc2c1OCC(N(CC)CC(=O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.35326797,False
17319,CCCN(CC(=O)c1ccoc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39303285,False
17320,CCCN(CC)C1COc2c(cccc2C(=O)C2(C)CCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53102356,False
17321,CCCc1cccc2c1OCC(N(C)Cc1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.61689365,False
17322,CCN(C)CCN1CCN(c2ccc(OC)cc2Cl)C1=O,[*]N1CCN([*])C1=O,0.44115183,False
17323,CCN(CC(C)C)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.58931065,False
17324,CCN1CCCC1CNC(=O)c1c(C)ccc(F)c1OF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7187332,False
17325,CCON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(Cl)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.418438,False
17326,CCc1cccc2c1OCC(N(CC)COC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.49956805,False
17327,CN(CC1CCCCC1)CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.41057125,False
17328,COCC1CCCN1CCN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6065928,False
17329,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C2=CC=CC=C[N+]C(C)=C2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34545684,False
17330,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C=N)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4310106,False
17331,COc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.936811,False
17332,O=C(NCC=CCN1CCN(C=Cc2ccc(OCCF)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31460026,False
17333,O=C(NCC=CCN1CCN(c2ccc3ccc(O)cc3n2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4208775,False
17334,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(F)nc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9611484,False
17335,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2c(O)cccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93929,False
17336,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.977101,False
17337,O=C(NCC=CCN1CCN(c2ccncn2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4333031,False
17338,O=C1N(Cc2ccsc2)CCN1CC1COCCN1,[*]N1CCN([*])C1=O,0.2988195,False
17339,O=C1N(c2cccc(-c3ccsc3)c2)CCN1c1ccc2c(c1)CNCC2,[*]N1CCN([*])C1=O,0.31315282,False
17340,CC(C)c1ccccc1N1CCN(CC=CCNC(=O)c2ccc(CCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72538716,False
17341,CC1(C)CC2CCC(CN3CCN(c4ccccc4)C3=O)(C1)C2(C)C,[*]N1CCN([*])C1=O,0.41868734,False
17342,CCCCN(F)C1COc2c(CCCN3C(=O)CC4(CCCC4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57101345,False
17343,CCCCN(O)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39418188,False
17344,CCCCN(c1cnco1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4897435,False
17345,CCCOC1CCCc2cc(CN3CCN(c4cc(Cl)cc(Cl)c4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.43681955,False
17346,CCCc1cccc2c1OCC(N(CCC)C(=O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4033807,False
17347,CN(C)c1ccc(C(=O)C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.831471,False
17348,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4OC)CC3)nc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69436646,False
17349,COc1ccc(Br)c(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9105578,False
17350,COc1cccc(C(=O)N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.15360418,False
17351,COc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41797787,False
17352,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2-c2cccnc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6848967,False
17353,Cc1ccccc1N1CCN(CCc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.2872123,False
17354,N#Cc1ccc2sc(CN3CCN(c4ccc(Cl)c(Cl)c4)C3=O)cc2c1,[*]N1CCN([*])C1=O,0.31858233,False
17355,O=C(NCC=CCN1CCN(C2=CC=Cc3cccc(-c4ccccc4)c3C2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.24786068,False
17356,O=C(NCC=CCN1CCN(c2ccc(-c3ncc[nH]3)cc2)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4796469,False
17357,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ncccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9101323,False
17358,O=C1N(CC2CCNCC2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.44737518,False
17359,O=C1N(CN2CCC(OCC(F)(F)F)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.66540647,False
17360,O=C1N(COCc2cccc(Cl)c2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.32903233,False
17361,O=C1N(Cc2cccc(OC3CCNCC3)c2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.4059841,False
17362,CCC1CCOCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7340082,False
17363,CCCCCN(C(=O)c1ccsc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.25798613,False
17364,CCCCN(c1cc(C)cs1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47714588,False
17365,CCCCN(c1ccc(N)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4870009,False
17366,CCCCc1ccc(S(=O)(=O)OC)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2088425,False
17367,CCCc1ccc(C)c(OO)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17749031,False
17368,CCc1cccc2c1OCC(N(CC(C)C)C(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.45903087,False
17369,CN(C)Cc1coc(CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.45146784,False
17370,CN1CCCCCC1CN1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.5362239,False
17371,CNCC1CCC(CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5884252,False
17372,COc1c(C(=O)NCCN2CCN([N+](=O)c3cccc(C)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38726452,False
17373,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48421308,False
17374,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)cc1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4297353,False
17375,COc1ccc2oc(C(=O)NCC=CCN3CCN(c4ccc(OCCF)cc4)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39083272,False
17376,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccnc2c(OCCF)cccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7670443,False
17377,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1cccc2c1-c1ccccc1CC2O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64227647,False
17378,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccc(OCCF)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.98791045,False
17379,O=C1N(CCCN2C3CCCCC2Cc2ccccc2C3)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.42324057,False
17380,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(CO)c1,[*]N1CCN([*])C1=O,0.82386863,False
17381,O=C1N(CCN2CCCCCC2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.42046207,False
17382,O=C1N(COCC2CCCCC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.3499374,False
17383,O=C1N(c2cccc(Cl)c2)CCN1C1CCCNC1O,[*]N1CCN([*])C1=O,0.329642,False
17384,CC1Cc2ccccc2N1CCN1CCN(Cc2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.48334882,False
17385,CCCN(CCC)C1COc2c(cccc2S(=O)(=O)c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.74637914,False
17386,CCOCN1CCN(CCN2CCN(CC(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.5110148,False
17387,CCc1cccc2c1OCC(N(CC(C)C)c1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.471351,False
17388,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1scc2ccccc12,[*]N1CCN([*])C1=O,0.7587025,False
17389,CN1C2CCC1CC(OCCN1CCN(c3ccc(Cl)cc3)C1=O)C2,[*]N1CCN([*])C1=O,0.5040005,False
17390,COCC1CCN1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6031105,False
17391,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2C=O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.44264022,False
17392,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2COc2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.44675902,False
17393,COc1ccc(C)c2c(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7945399,False
17394,COc1ccc(F)cc1N1CCN(CC=CCNC(=O)c2ccccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6164587,False
17395,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OCCF)cc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51236707,False
17396,Cc1ccccc1-c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.29639843,False
17397,O=C(NCC=CCN1CCN(c2ccc(-n3cccn3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52521604,False
17398,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60379875,False
17399,O=C(NCC=CCN1CCN(c2ccc(O)cc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5805763,False
17400,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc2ccc(O)nc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93343985,False
17401,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5672884,False
17402,O=C(NN1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1)c1ccc(-c2ccsc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.22186251,False
17403,O=C1N(CC2COCO2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.26659533,False
17404,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.78629667,False
17405,O=C1N(CCc2cccc(F)c2)CCN1C1COCCN1,[*]N1CCN([*])C1=O,0.33557707,False
17406,O=C1N(COCCc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4955797,False
17407,O=C1N(Cc2ccccc2Cl)CCN1C1COc2ccccc2C1,[*]N1CCN([*])C1=O,0.49701086,False
17408,CC(C)N1CCN(CCN2CCN(c3cccc(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.88975257,True
17409,CC1(C)CCN(CCN2CCN(Cc3ccc(F)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6152966,False
17410,CC1CCN(CCN2CCN(c3cccc(C(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.91582876,False
17411,CCCCN(C1COc2c(CC)cccc2C1)S(=O)(=O)c1ccccc1,[*]CN([*])C1COc2c([*])cccc2C1,0.46792147,False
17412,CCCCN(Cc1ccc(C(F)(F)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48220393,False
17413,CCCCSc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6076218,False
17414,CCCN(CC(C)(C)c1ccsc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.65596426,False
17415,CCN1CCCCC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6112923,False
17416,CCc1cccc2c1OCC(N(CCC(C)C)c1ccco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3821591,False
17417,CCc1cccc2c1OCC(N(CO)CC(C)[O-])C2,[*]CN([*])C1COc2c([*])cccc2C1,0.38813916,False
17418,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c2cc(OC)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54969573,False
17419,COc1ccc(-c2ccccn2)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91153985,False
17420,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc(N)c3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8021409,False
17421,O=C(NCC=CCN1CCN(c2cc(O)ccc2Cl)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6035398,False
17422,O=C(NCC=CCN1CCN(c2ccc(-c3ccc[nH]3)cc2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4301293,False
17423,O=C(NCC=CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33058584,False
17424,O=C(NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2-3)CC1)c1ccccc1C(F)(F)F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51960677,False
17425,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(-c2cccnc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.756443,False
17426,O=C(NCCN1CCN([N+](=O)[O-])CC1)c1cc(Br)c2ccccc2c1-c1ccccc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3089564,False
17427,O=C1N(CCN2CC3CCc4ccccc4CC2CC3)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.50165844,False
17428,O=C1N(CCOCC2CCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6862142,False
17429,CC(NCc1cccs1)N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.18440282,False
17430,CC(c1ccccc1)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.80113924,False
17431,CC1(C)CC(c2ccccc2)CN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.8274555,False
17432,CCCCN(CC)C1COc2c(cccc2-c2ccccn2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46561128,False
17433,CCCN(CCC)C1COc2c(cccc2S(=O)(=O)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6750959,False
17434,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2CN2CCN(c3cccc(C)c3)C2=O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34363386,False
17435,COc1cc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cc(F)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7809332,False
17436,COc1ccc(F)cc1C(=O)NCC=CCN1CCN(c2ccc(Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48927933,False
17437,COc1ccc(OCCF)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85876006,False
17438,COc1cccc(CN(C)CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.4882701,False
17439,COc1cccc(N2CCN(CCN3CCCc4sccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.74378234,False
17440,COc1ccccc1N1CCN(CC=CCNC(=O)CNC(=O)c2ccc(-c3ccccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89757293,False
17441,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(O)c3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8454533,False
17442,Cc1cccc(-c2c(C(=O)NCCN3CCN(CO)CC3)cc(Br)c3ccccc23)c1C,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33223423,False
17443,Cc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82488585,False
17444,Cc1ccccc1Oc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37399167,False
17445,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1nc2ccccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47954467,False
17446,O=C(NCC=CCN1CCN(c2ccc(N(CCF)c3ccccc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46050122,False
17447,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9124142,False
17448,O=C1N(CC2CCNCC2)CCN1c1cccc2c1OCC2,[*]N1CCN([*])C1=O,0.41601232,False
17449,O=C1N(CCN2CCCCCC2c2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6648209,False
17450,O=C1N(CCN2Cc3ccccc3C2)CCN1C1CCCCCC1,[*]N1CCN([*])C1=O,0.7526161,False
17451,O=C1N(Cc2ccccc2)CCN1CC1CCCCCC1,[*]N1CCN([*])C1=O,0.42123657,False
17452,O=C1N(c2cccc(F)c2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.25910193,False
17453,CC(C)Oc1cccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6680648,False
17454,CC1CNc2c(cccc2N2CCN(CCN3Cc4ccccc4C3)C2=O)C1,[*]N1CCN([*])C1=O,0.6656035,False
17455,CCCCCN(c1ccc(OC)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.508724,False
17456,CCCCN(CC)C1COc2c(cccc2OS(=O)(=O)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4515841,False
17457,CCCCOc1c(CC)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.28989488,False
17458,CCCN(CCC(=O)N1CCCCC1)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.31602633,False
17459,CCCN(CCC)C1COc2c(cccc2C(=O)c2cc(C)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46230724,False
17460,CCc1ccc(OC)c(OCSC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24486244,False
17461,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)C1CCCc2ccccc21,[*]N1CCN([*])C1=O,0.7726843,False
17462,CN1C2CCC(CN3CCN(c4cc(Cl)cc(Cl)c4)C3=O)OCC1CC2,[*]N1CCN([*])C1=O,0.34970465,False
17463,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc([N+](=O)[O-])c(OC)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33772382,False
17464,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)-c2ccccc2C3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9094835,False
17465,Cc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c2ccc(Cl)cc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83259624,False
17466,Cc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(F)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6875499,False
17467,N#Cc1cccc(N2CCN(CCN3CCCC(Cc4ccccc4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.69496864,False
17468,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(O)o3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43524316,False
17469,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.532378,False
17470,O=C1N(CC(F)(F)F)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.38901907,False
17471,O=C1N(CC2CCCNC2)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.41157874,False
17472,O=C1N(CCN2CCc3sccc3C2)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.63866544,False
17473,O=C1N(CN2CCNCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.56073385,False
17474,O=C1N(Cc2ccco2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3922335,False
17475,CC1CCCN(CCN2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.83061,False
17476,CCCN(C(C)C)C1COc2c(cccc2C(=O)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37103277,False
17477,CCCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.83778894,False
17478,CCN(CO)C1COc2c(cccc2C(C)[O-])C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5206752,False
17479,CCN1CCCC1CNC(=O)c1c(C)ccc(O)c1OF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7268473,False
17480,CCOc1c(CC)ccc(C)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17985316,False
17481,CCOc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3466636,False
17482,CCOc1cccc(N2CCN(CC3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.5675513,False
17483,CCc1ccc(C)c(C(=O)NCC2CCCN2C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20860326,False
17484,CN1CCCCC1CN1CCN(C2CCCOC2)C1=O,[*]N1CCN([*])C1=O,0.34650192,False
17485,CN1CCCCCC1N1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.32997778,False
17486,CN1Cc2ccccc2CC2CCC1CC2N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.4700109,False
17487,COCCN1CCN(c2ccccc2C)C1=O,[*]N1CCN([*])C1=O,0.3246764,False
17488,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cc([N+](=O)[O-])ccc2N)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35883936,False
17489,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3980436,False
17490,COc1cccc(N2CCN(CCN3CCN(C(C)C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.90712696,True
17491,Cc1ccnc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36396563,False
17492,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(F)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95061827,False
17493,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97475255,False
17494,O=C1N(CCN2CC3CCCC2Cc2ccccc2C3)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.4974667,False
17495,O=C1N(CCN2CC3CCCCC(CC3)C2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.7662361,False
17496,O=C1N(CCN2Cc3ccccc3C2)CCN1CNCc1ccccc1Cl,[*]N1CCN([*])C1=O,0.65332645,False
17497,O=C1N(CCN2Cc3ccccc3C2CF)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.6272646,False
17498,O=C1N(Cc2ccc(Cl)cc2)CCN1CC1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.6294408,False
17499,CC(C)OCN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.4121553,False
17500,CC(CN1CCN(c2cccc(C#N)c2)C1=O)N1CCc2ccccc21,[*]N1CCN([*])C1=O,0.39192402,False
17501,CC(F)(F)OC1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.91743016,False
17502,CCCN(CCC)C1COc2c(cccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.83848786,False
17503,CCN1CCCC1CNC(=O)c1c(OC)ccc(S(=O)(=O)O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.84187615,False
17504,CCc1ccc(O)c(C(=O)NCC2CCCN2OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27960262,False
17505,CN(C)CCN1CCN(C2CCOC2)C1=O,[*]N1CCN([*])C1=O,0.4264944,False
17506,COc1c(C(=O)NCCN2CCN(c3cccc(-c4ccccc4)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8646519,False
17507,COc1cccc(N2CCN(C3CCCN(Cc4cccc(Cl)c4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.55213934,False
17508,COc1cccc(N2CCN(c3ccc4c(c3)CCN4C(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.2673906,False
17509,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(-c3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3990288,False
17510,Cc1coc(CN2CCN(c3csc4ccccc34)C2=O)c1,[*]N1CCN([*])C1=O,0.23068382,False
17511,N#Cc1cccc(C2CNCCC2N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.37696716,False
17512,N#Cc1cccc(N2CCN(CCN3CCCCC(C(F)(F)F)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7677406,False
17513,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1)c1cc2cc(O)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5586559,False
17514,O=C(NCC=CCN1CCN(c2cccc(O)n2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5099865,False
17515,O=C1N(CC2COc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6894082,False
17516,O=C1N(CCN2CC3CCCC2Cc2ccccc2C3)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.5250319,False
17517,O=C1N(CCN2CCc3ccsc3C2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.63124573,False
17518,O=C1N(COC2CCNCC2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.47943002,False
17519,O=C1N(c2cccc(Cl)c2)CCN1c1cccc2c1-c1ccccc1C2,[*]N1CCN([*])C1=O,0.366543,False
17520,CC(C)N(CCCCN1C(=O)CCCC1=O)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51789796,False
17521,CC(C)N1CCN(CCN2CCN(CC#N)C2=O)CC1,[*]N1CCN([*])C1=O,0.5263637,False
17522,CCC1CC2CC(C)(C)C2N(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.63646185,False
17523,CCN1CCCC1CNC(=O)c1c(OC)ccc(SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9452561,True
17524,COc1c(C(=O)NCCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.83882964,True
17525,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68005055,False
17526,COc1cc2ccc(O)cc2cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56230605,False
17527,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3ccnn3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3871961,False
17528,N#Cc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1F,[*]N1CCN([*])C1=O,0.8394756,False
17529,O=C(NCC=CCN1CCN(c2[nH]c(O)cc2-c2ccc(Cl)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32331818,False
17530,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1ccc([N+](=O)[O-])cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37583047,False
17531,O=C(NCC=CCN1CCN(c2ccc3cc(O)ncc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46061563,False
17532,O=C(NCC=CCN1CCN(c2ccc3cc(OCCF)ccc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46730804,False
17533,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Br)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8472212,False
17534,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(CCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8361316,False
17535,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)NC(=O)c1ccc(-c2ccsc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8963704,False
17536,O=C1N(CCC2CCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7886583,False
17537,O=C1N(CCN2CCNC(C(F)(F)F)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.87339467,False
17538,O=C1N(CCN2Cc3ccccc3C2)CCN1c1coc2ccccc12,[*]N1CCN([*])C1=O,0.6797711,False
17539,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.5438445,False
17540,O=C1N(Cc2ccccc2CN2CCCCCC2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.42656982,False
17541,CC1(C)CC2CCCN2CC(C)(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.4084354,False
17542,CC1CCCN(CCN2CCN(c3ccc(Cl)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.6718947,False
17543,CCCCCC1C2CC2CN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6900803,False
17544,CCCN(O)C1COc2c(CCc3ccsc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6489549,False
17545,CCc1ccc(C)c(C(=O)NCC2CCCN2Cl)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17404015,False
17546,CN(C)CCN1CCN(C2CCCOC2)C1=O,[*]N1CCN([*])C1=O,0.38268256,False
17547,COC(C)C1CCCN(CCN2CCN(c3cccc(C(F)(F)F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.78965443,False
17548,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccsc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39940256,False
17549,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2[N+](=O)c2ccc(C)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34546947,False
17550,COc1c(C(=O)NCCN2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.31290004,False
17551,COc1cc(F)ccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8721875,False
17552,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc4c(c3)OCO4)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.285038,False
17553,COc1ccccc1C(=O)NCC=CCN1CCN(Oc2ccc(-c3ccsc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.25615045,False
17554,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6084454,False
17555,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(-c3ccccc3)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8980091,False
17556,Cc1cc(F)cc(N2CCN(Cc3cccc(N)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3343419,False
17557,N#CCN1Cc2ccsc2CCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5321787,False
17558,N#Cc1cccc2c1CCN(CCN1CCN(c3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.72798145,False
17559,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(O)n3)cc2)CC1)c1c(Cl)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43472657,False
17560,O=C(NCC=CCN1CCN(c2ccccc2O)CC1)c1cccc(F)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8282514,False
17561,O=C1N(CCN2CCCc3ccc(F)cc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8367451,False
17562,O=C1N(CNC2CCCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.48113117,False
17563,CC1CCCCCN1CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.41023692,False
17564,CCCCN(COC)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5237042,False
17565,CCCN(CCC)C1COc2c(cccc2OCc2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.808522,False
17566,CCN1CCCC1CNC(=O)c1c(O)ccc(C)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.658025,False
17567,CCOc1c(Cl)ccc(CCCF)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17804326,False
17568,CN1C2CCC1(C)CC(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.7361455,False
17569,CN1CC2CCC1CC(C)(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.7079579,False
17570,COc1cc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)ccc1Cl,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.43682918,False
17571,COc1cccc(-c2c(C(=O)NCCN3CCN(CO[O-])CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.23606704,False
17572,COc1cccc(OC)c1-c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3981156,False
17573,COc1ccccc1-c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4287647,False
17574,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cnn[nH]3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97547364,False
17575,COc1ccccc1N1CCN(Cc2ccc3cccnc3c2)C1=O,[*]N1CCN([*])C1=O,0.22272536,False
17576,Cc1cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)ccc1-c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36691698,False
17577,Cc1cccc(-c2c(C(=O)NCCN3CCN(Cl)CC3)cc(Br)c3ccccc23)c1C,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34662658,False
17578,Cc1sccc1CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.70310915,False
17579,NC(=O)c1c(O)cccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9345605,False
17580,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2c(CO)cccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8609594,False
17581,O=C1N(CCN2CCCCCC2)CCN1CC1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.73258334,False
17582,O=C1N(CCN2CCCCCC2)CCN1Cc1ccc(F)cc1,[*]N1CCN([*])C1=O,0.57976794,False
17583,O=C1N(CCN2CCCCCCC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.8295203,False
17584,O=C1N(CCN2CCNCC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.7079805,False
17585,O=C1N(CCN2Cc3ccccc3C2)CCN1CC1COOC1,[*]N1CCN([*])C1=O,0.8039512,False
17586,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.93642724,True
17587,O=C1N(CCc2cccc(Cl)c2)CCN1CC1CCCOC1,[*]N1CCN([*])C1=O,0.28015825,False
17588,CC(C)c1cccc(CCN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.41938046,False
17589,CC1(C)CC2CCC(CN3CCN(c4cccc(Cl)c4)C3=O)(C2)C1,[*]N1CCN([*])C1=O,0.59895945,False
17590,CC1(CN2CCN(c3ccccc3)C2=O)CCCCN1,[*]N1CCN([*])C1=O,0.28330147,False
17591,CCCN(Cc1ccc(N)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6809279,False
17592,CCCN1CCCCC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.68234926,False
17593,CCCc1cccc2c1OCC(N(CC)COS(=O)(=O)c1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.36217242,False
17594,CCc1ccc(C)c(OS(C)=O)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18410166,False
17595,CN(C)Cc1cccc(CN2CCN(c3cc4ccccc4s3)C2=O)c1,[*]N1CCN([*])C1=O,0.35888922,False
17596,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(C)c3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35357264,False
17597,COc1cccc(CN2CCN(CCN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.6069596,False
17598,COc1ccccc1C(=O)NCC=CCN1CCN(c2coc3ccccc3c2=O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43804148,False
17599,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Br)cc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85980123,False
17600,Cc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6966348,False
17601,Cc1cccc(CNC(=O)CN2CCN(c3cccc(Cl)c3)C2=O)n1,[*]N1CCN([*])C1=O,0.13761148,False
17602,O=C(NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4479814,False
17603,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64242965,False
17604,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cccc(OCCF)c2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7308059,False
17605,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1sccc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82220614,False
17606,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(Oc2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9331833,False
17607,O=C(NCC=CCN1CCN(c2ccnc(-c3ccccc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46062368,False
17608,O=C1N(CCN2CCC(c3cccc(F)c3)CC2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.85757256,False
17609,O=C1N(CCN2CCc3c(Cl)cccc3C2)CCN1c1ccc2occc2c1,[*]N1CCN([*])C1=O,0.7408083,False
17610,O=C1N(Cc2cccnc2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.28324565,False
17611,CC(C)N1CCN(CCN2CCN(Cc3cccc(OC(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6049565,False
17612,CC(C)NC1CCc2cccc(N3CCN(C(C)C)C3=O)c21,[*]N1CCN([*])C1=O,0.30865657,False
17613,CC1CCN(CC2CCC(N3CCN(c4cccc(C#N)c4)C3=O)CC2)CC1,[*]N1CCN([*])C1=O,0.61815125,False
17614,CCCCCN(CC)C1COc2c(cccc2-n2ccc(C(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54031014,False
17615,CCCCN(CC)C1COc2c(cccc2C(=O)c2cc[nH]c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39827475,False
17616,CCCN(CCC)C1COc2c(cccc2S(=O)(=O)c2ccccn2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6626513,False
17617,CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7125618,False
17618,CCCc1cccc2c1OCC(N(CCC)C(=O)OC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.40500847,False
17619,CCN(Cc1ccoc1)C1COc2c(CC(C)C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54800594,False
17620,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4C(F)(F)F)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40044713,False
17621,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(Br)nc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45596913,False
17622,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)OCO3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76721925,False
17623,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2CNC(=O)c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8838655,False
17624,Cc1ccc(N2CCN(CC=CCNC(=O)c3c(Cl)cccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35250565,False
17625,O=C(NCC=CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38407427,False
17626,O=C1N(CC2(F)CCCCN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.49618995,False
17627,O=C1N(CC2CCNCC2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.42640066,False
17628,O=C1N(CCN2CCNCC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.65517837,False
17629,O=C1N(CCNCC2CCCCC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.2602651,False
17630,O=C1N(CCc2cccc(Cl)c2)CCN1CCN1CCCCCC1,[*]N1CCN([*])C1=O,0.6960308,False
17631,O=C1N(Cc2cccc(Cl)c2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.35620308,False
17632,O=C1N(Cc2cccc(Cl)c2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.30615914,False
17633,O=C1N(Cc2ccccn2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.2950342,False
17634,O=C1N(c2cccc(Cl)c2)CCN1c1cccc(C2CCCCC2)c1,[*]N1CCN([*])C1=O,0.4092577,False
17635,C#CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.35697109,False
17636,CCCCN(c1cccc(OC)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.44471082,False
17637,CCCN(CCC)C1COc2c(cccc2-c2ccc(C(C)(C)C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8680306,False
17638,CCCN(c1ccc(C)cc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46264973,False
17639,CCN(C)CCN1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.76440156,False
17640,CCN(c1ccccc1)c1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87149644,False
17641,CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1967532,False
17642,CCOc1c(CCl)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.26351944,False
17643,CN1CCCC(N2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.5099875,False
17644,CNCCOc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88157463,False
17645,COc1cccc(-c2c(N)cccc2N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6843276,False
17646,COc1cccc(CN2CCN(c3cccc4ccsc34)C2=O)c1,[*]N1CCN([*])C1=O,0.258513,False
17647,COc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7165564,False
17648,Cc1nc2cc(N3CCN(Cc4cccs4)C3=O)ccc2s1,[*]N1CCN([*])C1=O,0.28093642,False
17649,N#CCn1cc(N2CCN(c3ccccc3)C2=O)cc1-c1ccccc1,[*]N1CCN([*])C1=O,0.38476086,False
17650,Nc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3CF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8486658,False
17651,O=C(CN1CCN(C2COOC2)C1=O)NCc1ccc(F)cc1,[*]N1CCN([*])C1=O,0.10626866,False
17652,O=C(NCC=CCN1CCN(C2=C3C=CC=CC=C3C=CC=C2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42654458,False
17653,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1cccc([N+](=O)[O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36677542,False
17654,O=C(NCC=CCN1CCN(c2ccc3[nH]c(O)nc3c2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47872913,False
17655,O=C1N(CCc2ccccc2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.45699826,False
17656,O=C1N(CCc2nc3ccccc3s2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.48746994,False
17657,O=C1N(CNC2CCCCCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.2897051,False
17658,O=C1N(c2ccccc2F)CCN1C(F)(F)C1CCCCC1,[*]N1CCN([*])C1=O,0.20483692,False
17659,CCCN(CC)C1COc2c(CCCN3C(=O)CC(C)(C)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.608894,False
17660,CCCN(Cc1ccc2sccc2c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4283131,False
17661,CCCc1cccc2c1OCC(N(CC)Cc1cccc(C)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5472834,False
17662,CCc1ccc(C)c(C(=O)NCC2CCCN2Br)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14204434,False
17663,CCc1ccc(CC)c(C(=O)NCC2CCCN2CC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.841064,False
17664,CCc1ccc(OC)c(OCS)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.26211852,False
17665,COc1cc(F)cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4638628,False
17666,COc1ccc2[nH]cc(N3CCN(CC=CCNC(=O)c4ccccc4Cl)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50676745,False
17667,COc1cccc2c(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8840151,False
17668,COc1ccccc1C(=O)NCC=CCN1CCN(C(=O)C2=CC=CC=CN2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.17899501,False
17669,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3)nn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84492165,False
17670,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3ccc(F)cc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91016793,False
17671,N#Cc1cccc(N2CCN(CCN3CC4CCCCC3CCC4)C2=O)c1,[*]N1CCN([*])C1=O,0.5970521,False
17672,Nc1ccccc1-c1ncccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69695085,False
17673,O=C(NCC=CCN1CCN(c2ccc(-c3ccc[nH]3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40866747,False
17674,O=C(NCC=CCN1CCN(c2ccc(Br)cn2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4430473,False
17675,O=C(NCC=CCN1CCN(c2ccc3nc[nH]c3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43599394,False
17676,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1csc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96206677,False
17677,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(F)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8949151,False
17678,O=C1N(CC2CCC3CCCCC3N2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.64158654,False
17679,O=C1N(CC2CCCNCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.49523753,False
17680,O=C1N(CC2CNCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.67179555,False
17681,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8110215,False
17682,O=C1N(Cc2ccc3ccccc3c2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.37001893,False
17683,CC1CCN(C)c2ccc(N3CCN(C(C)C)C3=O)cc2Cc2ccccc21,[*]N1CCN([*])C1=O,0.5006091,False
17684,CCCCN(O)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48305494,False
17685,CCCN(COS(=O)(=O)C(F)(F)F)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.59385395,False
17686,CCCc1cccc2c1OCC(N(CC)CCc1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.66633314,False
17687,CCCc1cccc2c1OCC(N(CO)C1(C(C)=O)CCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.2854659,False
17688,CNCc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4452647,False
17689,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4)CC3)o2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33409008,False
17690,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(F)c2[N+](=O)[O-])CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7433344,False
17691,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccn3nccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8715327,False
17692,COc1ncccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36192256,False
17693,Cc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37707338,False
17694,O=C(CCF)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75388885,False
17695,O=C(NCC=CCN1CCN(c2c[nH]c3ccccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6516273,False
17696,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53034955,False
17697,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c(-c2ccc(O)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88121307,False
17698,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44885778,False
17699,O=C(NCC=CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37128288,False
17700,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.7916035,False
17701,O=C1N(CCN2CCCC(C(F)(F)F)CC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.80223286,False
17702,O=C1N(CCN2CCCc3sccc3C2)CCN1C1CCOCC1,[*]N1CCN([*])C1=O,0.45020568,False
17703,O=C1N(CCN2c3ccccc3CC3CCC2CC3)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.59814227,False
17704,O=C1N(Cc2ccccc2)CCN1Cc1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.3157916,False
17705,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1Cc2ccccc2CC12CCCCC2,[*]N1CCN([*])C1=O,0.27114362,False
17706,O=C1N(c2cccc(Cl)c2)CCN1C(F)C1CCNCC1,[*]N1CCN([*])C1=O,0.38827187,False
17707,CC1CCCN(CCN2CCN(c3cc(Cl)ccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.54633147,False
17708,CC1c2ccccc2CCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7914418,False
17709,CCCN(C(C)C)C1COc2c(cccc2C(=O)O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46635234,False
17710,COCC1C2CC(N3CCN(c4cccc(Cl)c4)C3=O)CCC1N(Cc1ccccc1)C2,[*]N1CCN([*])C1=O,0.5102234,False
17711,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cc([N+](=O)[O-])ccc2O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.36721516,False
17712,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc3c(c2)C(=O)N(c2ccccc2)CO3)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37032166,False
17713,COc1c(C(=O)NCCN2CCN(c3cccc([N+](=O)[O-])c3[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8230251,False
17714,COc1cccc(CN2CCN(Cc3cccc(C)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.2870792,False
17715,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3cc(O)c(O)cc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4003306,False
17716,Cc1cccc(N2CCN(Cc3cccs3)C2=O)c1,[*]N1CCN([*])C1=O,0.32569346,False
17717,N#Cc1cc(F)ccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8072666,False
17718,Nc1c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cccc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9375716,False
17719,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(O)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5026721,False
17720,O=C(NCC=CCN1CCN(c2cccc3c2-c2ccccc2C3O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6821162,False
17721,O=C(NCC=CCN1CCN(c2ccccc2-c2ccccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68157506,False
17722,O=C(NCC=CCN1CCN(n2cccn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3438616,False
17723,O=C1N(CCN2Cc3ccc(cc3)C2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.5915575,False
17724,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.9249344,True
17725,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccccc1F,[*]N1CCN([*])C1=O,0.840331,False
17726,O=C1N(Cc2ccccc2Cl)CCN1CC1CCCCCN1,[*]N1CCN([*])C1=O,0.35527584,False
17727,O=C1N(c2cccc(Cl)c2)CCN1c1cccc2c1C1CCCCC(C2)CN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.51632845,False
17728,CC(C)CN1CCN(c2cccc(S(C)(=O)=O)c2)C1=O,[*]N1CCN([*])C1=O,0.31022072,False
17729,CC(N1CCN(CCN2Cc3ccccc3C2)C1=O)n1cccc1,[*]N1CCN([*])C1=O,0.8683857,False
17730,CC1(C)CN(CCN2CCN(c3ccccc3)C2=O)Cc2ccccc21,[*]N1CCN([*])C1=O,0.7103613,False
17731,CCCCN(C(C)=O)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4105997,False
17732,CCCN(Cc1cccc(OC)c1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5049162,False
17733,CN(C)CCN1CCN(c2ccccc2F)C1=O,[*]N1CCN([*])C1=O,0.41158435,False
17734,CNc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9487201,False
17735,COC1CCCCc2ccc(CN3CCN(c4cccc(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.53632474,False
17736,COc1ccc(C)c(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32581913,False
17737,COc1ccc(C)cc1C(=O)NCC=CCN1CCN(c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95427614,False
17738,COc1cccc([N+](=O)[O-])c1-c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33414236,False
17739,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64976585,False
17740,COc1ccccc1N1CCN(CC=CCNC(=O)C2CCCc3ccccc32)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6051949,False
17741,Cc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36582127,False
17742,O=C(NCC=CCN1CCN(c2ccc(Br)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44604373,False
17743,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63565046,False
17744,O=C(NCC=CCN1CCN(c2ccc3c(O)cccc3n2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44651076,False
17745,O=C(NCC=CCN1CCN(c2cccc(-c3ccc[nH]3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4794334,False
17746,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(Cl)ccc1[N+](=O)O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90445715,False
17747,O=C1N(CCN2CC3CCCc4sccc4C2CC3)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.6722668,False
17748,O=C1N(CCN2CCC3CCC2CC3c2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6418521,False
17749,O=C1N(c2cc(Cl)ccc2F)CCN1C1CCCNCC1,[*]N1CCN([*])C1=O,0.28901893,False
17750,O=C1N(c2cccc(Cl)c2)CCN1c1ccc2c(c1)C(O)CCCC2,[*]N1CCN([*])C1=O,0.43103626,False
17751,CCCCN(CC)C1COc2c(C#Cc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.583244,False
17752,CCCN(C(C)=O)C1COc2c(cccc2C(=O)O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5080476,False
17753,CCCN(C)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.74948454,False
17754,CCCN(CCC)C1COc2c(cccc2-c2occc2C(=O)O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6216694,False
17755,CCCOc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87309533,False
17756,CN(CN1CCN(c2cccc(C(F)(F)F)c2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.5649921,False
17757,CN1CC(N2CCN(c3cccc(F)c3)C2=O)CC2(CCCC2)C1=O,[*]N1CCN([*])C1=O,0.38881707,False
17758,CNC(=O)CN1CCN(CCN2CCN(c3cccc(Cl)c3)C2)C1=O,[*]N1CCN([*])C1=O,0.44906342,False
17759,COc1c(C(=O)NCCN2CCN(C(=O)c3ccccc3Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.29630217,False
17760,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Cl)ccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8704743,False
17761,Cc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3Cl)CC2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36123544,False
17762,O=C(CNC(=O)c1ccc(-c2cccc(O)n2)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82082045,False
17763,O=C(NCC=CCN1CCN(C2=CC3=c4ccccc4=C(C=CC=C3)S2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39873716,False
17764,O=C(NCC=CCN1CCN(c2cc(Cl)ccc2F)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.62694895,False
17765,O=C(NCC=CCN1CCN(c2ccc(F)cc2)CC1)c1c(O)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5122556,False
17766,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2cc[nH]c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8743367,False
17767,O=C(NCC=CCN1CCN(c2cccc3c2Cc2ccccc2Cc2ccccc2-3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74392754,False
17768,O=C1N(CC2CN(Cc3cccc(Cl)c3)CCO2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.49747574,False
17769,O=C1N(CCN2CCCCCC2)CCN1c1ccc2c(c1)Cc1ccccc1CC2,[*]N1CCN([*])C1=O,0.86611503,False
17770,O=C1N(CCNC2CCCc3sccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5817685,False
17771,O=C1N(Cc2ccc3c(c2)Cc2ccccc2C3)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.419897,False
17772,O=C1N(Cc2cccc(Cl)c2)CCN1CC1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.5302075,False
17773,CC(C)N1CCN(CCN2CCN(Cc3ccccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.6721622,False
17774,CC(C)c1cccc(N2CCN(Cc3ccc4c(c3)C(O)CCCC4)C2=O)c1,[*]N1CCN([*])C1=O,0.3919497,False
17775,CC1CCCC(N2CCN(c3cccc(Cl)c3)C2=O)N1,[*]N1CCN([*])C1=O,0.42110234,False
17776,CCCCc1ccc(OC)c(C(=O)NCC2CCCN2CC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8132198,False
17777,CCCN(C(C)C)C1COc2c(cccc2C(=O)c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41309452,False
17778,CCCN(CCC)C1COc2c(cccc2-c2cccc(F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.79811823,False
17779,CCCN(CCC)C1COc2c(cccc2-c2coc(C(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7516234,False
17780,CCCc1cccc2c1OCC(N(CCCN1C(=O)CCC(C)C1=O)CC(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.49220356,False
17781,CCc1ccc(C)c(OSC)c1C(=O)NCC1CCCN1CCCF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.37173134,False
17782,CN1CCCCC1N1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.40676823,False
17783,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([N+](=O)[O-])c2Cl)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.36322457,False
17784,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2[N+](C)=Cc2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39728066,False
17785,COc1cccc(CN2CCN(c3cccc(C(C)C)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.34335834,False
17786,Cc1ccc(OCCF)cc1N1CCN(CC=CCNC(=O)c2cccc(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4483611,False
17787,Cc1ccccc1-c1ccnc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37118214,False
17788,Cc1ccccc1CNCCN1CCN(c2cccs2)C1=O,[*]N1CCN([*])C1=O,0.19697043,False
17789,O=C(NCC=CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(Cl)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3765146,False
17790,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51028234,False
17791,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2Br)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9382818,False
17792,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(O)cc1CF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9203989,False
17793,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(NCc2ccccc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7974241,False
17794,O=C1N(CCN2CCCCCC2)CCN1Cc1ccc(F)cc1Cl,[*]N1CCN([*])C1=O,0.6110559,False
17795,C#CC12CC(CNCCN3CCN(c4cccc(Cl)c4)C3=O)CCC(C1)C2,[*]N1CCN([*])C1=O,0.5569809,False
17796,CC1CC2CC(C)(C)CC2N(CCN2CCN(c3cccc(C#N)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.5836497,False
17797,CCN(C)CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.63081694,False
17798,CCOc1c(C)ccc(N)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15865794,False
17799,CN(CCN1CCN(c2ccc3sccc3c2)C1=O)Cc1cccs1,[*]N1CCN([*])C1=O,0.53231794,False
17800,CN(CCN1CCN(c2cccc(Cl)c2Cl)C1=O)Cc1ccsc1,[*]N1CCN([*])C1=O,0.5208348,False
17801,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2c(C)cccc2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.36923784,False
17802,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([N+]([O-])(F)F)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33960703,False
17803,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc3c2CCO3)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3603461,False
17804,COc1ccc(CNc2cccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8329619,False
17805,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c(OC)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.524643,False
17806,COc1cccc(N2CCN(CCN3CCCC(c4cccc(Cl)c4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.83572507,False
17807,COc1cccc2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9355893,False
17808,COc1ccccc1-c1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89372677,False
17809,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(O)c([N+](=O)[O-])c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33753145,False
17810,Cc1csc(CNCN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.21991307,False
17811,N#Cc1ccc2c(c1)CCNC2CN1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.54219306,False
17812,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(O)cn3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44160372,False
17813,O=C(NCC=CCN1CCN(c2cccc(Cl)n2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4926916,False
17814,O=C(NCC=CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56126297,False
17815,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1cccc(O)c1,[*]N1CCN([*])C1=O,0.8015986,False
17816,CC(=O)N1CCN(CCN2CCN(c3ccc(F)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.46813682,False
17817,CC(C)(C)OC(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90932184,False
17818,CC(C)C1CCN(CCN2CCN(c3ccccc3)C2=O)CN1,[*]N1CCN([*])C1=O,0.7363505,False
17819,CC1Cc2ccccc2N1C(=O)CN1CCN(Cc2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.3509214,False
17820,CCCN(CC1(C(F)(F)F)CCCC1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5487159,False
17821,CCCN(CC1CCCC1)C1COc2c(cccc2C(=O)c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4553688,False
17822,CCN1CCCC1CNC(=O)c1c(C)ccc(Cl)c1OF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6753153,False
17823,CN(C)c1ccccc1C(=O)NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43642682,False
17824,CN1CCN(CCCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7466071,False
17825,CNCCN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.73887336,False
17826,COCc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97530854,False
17827,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(C)[nH]3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49467006,False
17828,COc1ccc2oc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40497658,False
17829,COc1ccc2scc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49512154,False
17830,COc1ccccc1N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5164133,False
17831,Nc1ccccc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47257218,False
17832,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1csc(-c2ccc(F)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9382461,False
17833,O=C1N(CCN2C3CCCC(C3)C2c2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.72427714,False
17834,O=C1N(CCN2CCc3ccccc32)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.47853532,False
17835,O=C1N(CCN2CCc3sccc3C2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.6138309,False
17836,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccsc1-c1ccccc1,[*]N1CCN([*])C1=O,0.86592066,False
17837,O=C1N(CN2CC3CCCCCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.64638996,False
17838,C=Cc1cccc2c1OCC(N(CCC)Cc1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.66465527,False
17839,CC1=C(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)C=CC=C[N+]1N,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7336962,False
17840,CCCN(CC(F)(F)F)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6271387,False
17841,CCCN(CCC)C1COc2c(cccc2-n2cccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7785938,False
17842,CCCSOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18238734,False
17843,CCN1CCCCCC1N1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.23802885,False
17844,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC1CCC2CC2CC1,[*]N1CCN([*])C1=O,0.7228668,False
17845,COC(C)N1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.3478333,False
17846,COCc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9752449,False
17847,COc1ccc2scc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5862762,False
17848,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(-c4ccccn4)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4612816,False
17849,COc1cccc2nc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39725962,False
17850,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c(-c3ccccc3)c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9106655,False
17851,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9738877,False
17852,Nc1ncccc1C(=O)NCC=CCN1CCN(c2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66794413,False
17853,O=C(NCC=CCN1CCN(c2ccc(-c3cccs3)[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42231756,False
17854,O=C(NCC=CCN1CCN(c2ccc(F)nc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4644266,False
17855,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1cc[nH]n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72234726,False
17856,O=C1N(CC2CCCNC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.4479788,False
17857,O=C1N(CC2CCOCN2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.40908855,False
17858,O=C1N(CCc2ccccc2)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.47106642,False
17859,O=C1N(Cc2cc3ccccc3o2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.3710008,False
17860,O=C1N(c2cccc(Cl)c2)CCN1c1ccc2c(c1)C(c1ccccc1)CNCC2,[*]N1CCN([*])C1=O,0.52108634,False
17861,O=C1N(c2cccc([N+](=O)[O-])c2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.2514164,False
17862,O=C1N(c2ccccc2)CCN1C1CCCCCC1,[*]N1CCN([*])C1=O,0.2683821,False
17863,CC1(CN2CCN(c3cccc(Cl)c3)C2=O)CCC2CCN(CC2)C1,[*]N1CCN([*])C1=O,0.5192135,False
17864,CCCCN(O)C1COc2c(cccc2-c2ccc(Br)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5055244,False
17865,CCCN(COCc1ccc(C(F)(F)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.60676175,False
17866,CCCN(c1ccc(C(F)(F)F)cc1)C1COc2c(cccc2C(C)CC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6097746,False
17867,CCOc1c(C)ccc(SSC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17040062,False
17868,COCc1cccc(N2CCN(CC3CCCC4(CCc5ccccc5C4)N3)C2=O)c1,[*]N1CCN([*])C1=O,0.54622614,False
17869,COc1c(C(=O)NCCN2CCN(c3cc[s+]cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.90217376,False
17870,COc1cccc(CN2CCN(C3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.49064815,False
17871,COc1ccccc1N(CCF)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92398804,False
17872,Cc1ccc(CN(C)CN2CCN(c3ccccc3)C2=O)s1,[*]N1CCN([*])C1=O,0.27743968,False
17873,Cc1ccc(N2CCN(CCN3CCCC(c4ccccc4)C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.7047984,False
17874,O=C(NCC=CCN1CCN(c2c[nH]c(-c3ccc(F)cc3)c2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5624707,False
17875,O=C(NCC=CCN1CCN(c2cc(Br)ccc2OCCF)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50085396,False
17876,O=C(NCC=CCN1CCN(c2cc(Cl)ccc2Cl)CC1)c1cc2ccccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59783626,False
17877,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1cccc(C(F)(F)F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43258265,False
17878,O=C(NCC=CCN1CCN(c2ccccc2-c2ccccn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7878675,False
17879,O=C1N(CCN2CCCC3CCCCC32)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.39434347,False
17880,O=C1N(CCN2CCCN(Cc3cccc(Cl)c3)CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.7648475,False
17881,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(F)c(F)c1Cl,[*]N1CCN([*])C1=O,0.8735174,False
17882,CC(C)Oc1cccc(N2CCN(CCN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8028275,False
17883,CC(C)c1cccc(N2CCN(C3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.24196784,False
17884,CC(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCc2ccccc21,[*]N1CCN([*])C1=O,0.41129714,False
17885,CC12CCC(CC(N3CCN(c4cccc(Cl)c4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.43608811,False
17886,CCC(C)c1cccc2c1OCC(N(CC)CO)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5885328,False
17887,CCCCN(CC)C1COc2c(Cc3ccco3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39419612,False
17888,CCCN(Cc1ccccc1OC)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5429743,False
17889,CCN(C(=O)c1ccccc1)c1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8847723,False
17890,COc1c(C(=O)NCCN2CCN(c3ccc(Cl)cc3Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8169949,False
17891,COc1cc2c[nH]c(O)c2cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49887022,False
17892,COc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3O)CC2)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.88998514,False
17893,COc1cccc(Cl)c1N1CCN(CC=CCNC(=O)c2cc(C)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2876375,False
17894,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Cl)cc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.62709206,False
17895,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccoc3)cs2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8323356,False
17896,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1-n1ccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86285955,False
17897,O=C(NCC=CCN1CCN(c2cccc3ccccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74779296,False
17898,O=C1N(CC(F)(F)F)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.44702765,False
17899,O=C1N(CC2CCCC3CCCCN32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5084064,False
17900,O=C1N(CCN2CC3CCCC(CC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.87153053,False
17901,O=C1N(CCN2CC3Cc4ccccc4CCCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6981993,False
17902,O=C1N(CCN2CCN(Cc3cccs3)CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.7676007,False
17903,O=C1N(Cc2ccc3c(c2)N(Cc2ccccc2)CC3)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.44175777,False
17904,CC1CCCCCN1CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4635207,False
17905,CC1CCCCN1CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.5718253,False
17906,CCC(C)N(CC1CC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62379986,False
17907,CCCN(CCC)C1COc2c(cccc2OC(=O)c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5468969,False
17908,CCCc1cccc2c1OCC(N(CC)Cc1ccc(C(=O)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3404228,False
17909,COC(C)CN1CCN(CC(F)(F)F)C1=O,[*]N1CCN([*])C1=O,0.26151472,False
17910,COCC1Cc2ccccc2N1CCN1CCN(c2ccc(C)cc2)C1=O,[*]N1CCN([*])C1=O,0.54102165,False
17911,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(C(=O)c3ccccc3)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39076492,False
17912,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccccc2-c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6920148,False
17913,COc1ccccc1-c1cc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77960014,False
17914,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(-c3cccnc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4322474,False
17915,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3c(C)cc(O)cc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87578315,False
17916,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(OCc2ccccc2)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88348657,False
17917,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)cc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89721596,False
17918,O=C(NCC=CCN1CCN(c2cccc(OCCF)n2)CC1)c1cc2cc(O)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43309635,False
17919,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cc[nH]n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77539366,False
17920,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccco1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82555157,False
17921,O=C(NCC=CCN1CCN(c2nccc3cc(O)ccc23)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37885517,False
17922,O=C1N(CC2CCCCN2Cc2cc3ccccc3s2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.446967,False
17923,O=C1N(CCN2CCCCCC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.7955524,True
17924,O=C1N(CCN2CCN(Cc3cc4ccccc4[nH]3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.76112986,False
17925,O=C1N(CCN2Cc3ccccc3C2)CCN1C1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.70335007,False
17926,CC(C)N(CO)C1COc2c(cccc2C2CCCC(=O)C2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.30341086,False
17927,CC(C)N1CCN(CCN2CCN(c3cccnc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.80057925,False
17928,CC(C)c1cccc(N2CCN(CCN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8380963,False
17929,CC12CCCCC(CC1)CN2CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.53974515,False
17930,CCC1Cc2ccccc2N(C(=O)CN2CCN(c3ccc(Cl)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.31616694,False
17931,CCCCN(C(=O)c1cc(C)cs1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2261587,False
17932,CCCCN(CC)C1COc2c(cccc2-n2ccc(C(=O)O)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3161284,False
17933,CCCCN(c1ccc(C=O)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45029873,False
17934,CCCCc1ccc(C)c(OCC)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14587899,False
17935,CCCOc1c(Cl)ccc(SC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25589487,False
17936,CCN1CCCC1CNC(=O)c1c(C)ccc(S(C)(=O)=O)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5651961,False
17937,CCSN1CCCC1CNC(=O)c1c(CC)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19703388,False
17938,COCc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9500497,False
17939,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)CCc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73285556,False
17940,COc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85767615,False
17941,COc1ccccc1NC(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44601247,False
17942,COc1ccccc1[N+](=O)c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8892495,False
17943,N#Cc1cccc(NCCN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.457807,False
17944,Nc1ccc(N2CCN(CC=CCNC(=O)c3cccc(C(F)(F)F)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43988863,False
17945,O=C1N(CC2CCNCC2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.37522882,False
17946,O=C1N(CCN2CCc3ccccc32)CCN1c1ccc(F)c(Cl)c1Cl,[*]N1CCN([*])C1=O,0.48602745,False
17947,O=C1N(Cc2ccccc2)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.4431198,False
17948,CC(C)CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.79145724,False
17949,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41856885,False
17950,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.884891,False
17951,CN(CCN1CCN(c2cccc(Cl)c2F)C1=O)CC12CCC(CC1)C(C)(C)C2,[*]N1CCN([*])C1=O,0.5237703,False
17952,COc1c(C(=O)NCCN2CCN(c3ccc(C)c(-c4ccccc4)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.84544927,False
17953,COc1ccc(-c2cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8458911,False
17954,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1Oc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9210817,False
17955,COc1cccc(CN2CCN(CCOc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.4336366,False
17956,COc1cccc(Oc2cccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8851458,False
17957,COc1ccccc1N1CCN(CC=CCNC(=O)CCN[N+](=O)c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68334293,False
17958,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Cc3ccccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.883635,False
17959,Cc1ccc([N+](=O)[O-])cc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6250646,False
17960,Cc1cccc(N2CCN(C3CCCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.17356868,False
17961,O=C(CCOc1ccc(F)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.715445,False
17962,O=C(NCC=CCN1CCN(COc2ccc3nc(O)ccc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.29469398,False
17963,O=C(NCC=CCN1CCN(c2c[nH]c3c(F)cccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5980973,False
17964,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(F)cc3)[nH]2)CC1)c1cccc(Cl)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49598262,False
17965,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccoc2cc1C=CC=N2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7288867,False
17966,O=C1N(CC2CCCCN2Cc2ccc(F)cc2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.3387602,False
17967,O=C1N(CCN2CC3CCC2CC3)CCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.489711,False
17968,O=C1N(CCN2CCC3CCC2C(O)c2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6502514,False
17969,O=C1N(CCN2CCCOC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.76015276,False
17970,O=C1N(CNC2CCCC3CCC2Cc2ccccc2C3)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.39704114,False
17971,O=C1N(c2cccc(Cl)c2)CCN1c1ccccc1COC1CCCCC1,[*]N1CCN([*])C1=O,0.4623932,False
17972,C#Cc1cccc2c1OCC(N(CCC)Cc1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.68524116,False
17973,C=CCOc1c(CCC)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23853672,False
17974,CC1CN(C)c2ccc(N3CCN(c4cccc(Cl)c4)C3=O)cc2Cc2ccccc21,[*]N1CCN([*])C1=O,0.5767227,False
17975,CCCN(CC(C)C)C1COc2c(cccc2C(=O)c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45410305,False
17976,CCCN(CCC)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7076188,False
17977,CCCc1cccc2c1OCC(N(CCC)C(C)(C)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6476309,False
17978,CCc1cccc2c1OCC(N(CCC(C)C)c1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5057864,False
17979,CN1Cc2ccccc2-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc21,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90357834,False
17980,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2sccc2Cl)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.46913263,False
17981,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6427275,False
17982,COc1cccc(N2CCN(CCN3CCN(CC(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8245823,False
17983,Cc1ccc(CN2CCN(c3ccccc3)C2=O)cn1,[*]N1CCN([*])C1=O,0.20451377,False
17984,Cc1cccc(N2CCN(CCN3CCOCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.4362993,False
17985,Cc1nc2cc(CN3CCN(c4cccc(Cl)c4)C3=O)ccc2s1,[*]N1CCN([*])C1=O,0.36778137,False
17986,N#Cc1cccc(CN2CCN(Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3701542,False
17987,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9347205,False
17988,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccn2nccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8963016,False
17989,O=C(NCC=CCN1CCN(c2cn[nH]c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4836954,False
17990,O=C1N(CCN2CCN(Cc3cccs3)CC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.67509675,False
17991,O=C1N(Cc2cc3ccccc3s2)CCN1CC(F)(F)c1ccccc1,[*]N1CCN([*])C1=O,0.36753032,False
17992,O=C1N(c2ccc(Cl)cc2)CCN1C1CCC2(CC1)Cc1ccccc1CN2,[*]N1CCN([*])C1=O,0.31323734,False
17993,O=C1N(c2cccc(Cl)c2)CCN1c1cc2ccccc2o1,[*]N1CCN([*])C1=O,0.33883208,False
17994,CC(C)N1CCN(CCN2CCN(Cc3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.66889155,False
17995,CCCCN(C(=O)c1ccc(S(C)(=O)=O)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.17905933,False
17996,CCCCN(CN1C=C(C(F)(F)F)C(=O)CC1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5509148,False
17997,CCCN(CO)C1COc2c(CC3CCC4(CCCC4)CC(=O)C3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4432052,False
17998,CCCN(Cc1ccc(OC)cc1OC)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.61914515,False
17999,CCN1CCCC1CNC(=O)c1c(CCCCl)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.83046407,False
18000,CCN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38758305,False
18001,CCOc1c(Cl)ccc(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2747736,False
18002,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OCCF)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39049312,False
18003,CN1CCCC(N2CCN(c3cccc(C#N)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.44865626,False
18004,CNc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3F)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54499286,False
18005,COc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40056637,False
18006,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(Cl)nc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51435804,False
18007,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccnc(Br)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9372876,False
18008,Cc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)[nH]c1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28078052,False
18009,Cc1cccc2c1OCC(N(CC(C)C)c1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4265901,False
18010,Nc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44448254,False
18011,O=C(NCC=CCN1CCN(c2cc3c(OCCF)cccc3s2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39650008,False
18012,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1N(CCO)C1CCOC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84929883,False
18013,O=C1N(CCN2CCCC(C(F)(F)F)CC2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.65715,False
18014,O=C1N(CCN2CCCCCCC2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.6139175,False
18015,O=C1N(c2ccc(Cl)c(Cl)c2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.3180375,False
18016,C=CCOc1c(C)ccc(SC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16897264,False
18017,CCCCCN(CC)C1COc2c(cccc2C(=O)c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37833643,False
18018,CCCCN(C1COc2c(O)cccc2C1)C1CCC(=O)C=C1CC,[*]CN([*])C1COc2c([*])cccc2C1,0.46311557,False
18019,CCCCN(CC)C1COc2c(cccc2-c2coc(C)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4027137,False
18020,CCCCc1ccc(COC)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25162935,False
18021,CCCc1cccc2c1OCC(N(CCc1ccsc1)c1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5966377,False
18022,CCN(CO)C1COc2c(CC(C)=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.33492386,False
18023,CN1CCCCC1CN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5840182,False
18024,COCC1CCc2cccc(N3CCN(c4cccc(Cl)c4)C3=O)c21,[*]N1CCN([*])C1=O,0.55000997,False
18025,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(CF)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38921726,False
18026,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3OC)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5010525,False
18027,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(OCCF)cc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37981403,False
18028,COc1ccc(N2CCN(CC=CCNC(=O)c3ccc(Cl)cc3OCCF)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44536102,False
18029,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(Br)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54026634,False
18030,Cc1ccc(N2CCN(CCN(C)Cc3cccs3)C2=O)cc1,[*]N1CCN([*])C1=O,0.5404431,False
18031,N#Cc1cc(N2CCN(CC3CCc4ncccc4C3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.54297644,False
18032,O=C(NCC=CCN1CCN(c2cc3ccccc3[nH]2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40329766,False
18033,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4610074,False
18034,O=C(NCC=CCN1CCN(c2cccc([O-])c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47993034,False
18035,O=C(NCCN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cc(Br)c2ccccc2c1O,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7070332,False
18036,O=C1N(CCN2c3ccccc3CC23CCCCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5687818,False
18037,CCCCN(CC)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5882059,False
18038,CCCN(CO)C1COc2c(cccc2C2CCCC3(CCC(=O)C(=O)C3)C2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42299387,False
18039,CCCOc1ccccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.71734464,False
18040,CCN1CCCC1CNC(=O)c1c(C)ccc(Br)c1OC=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6155415,False
18041,COCC1C2CCC1CC(N1CCN(Cc3ccc(Cl)cc3)C1=O)C2,[*]N1CCN([*])C1=O,0.3425188,False
18042,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccsc3)ccc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52266014,False
18043,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccnc(O)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41537982,False
18044,COc1ccccc1CN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.3463076,False
18045,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(F)c(F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8770055,False
18046,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3cc(F)cc(C)c3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8732663,False
18047,Cc1cc(CN2CCN(Cc3ccc(Cl)cc3)C2=O)on1,[*]N1CCN([*])C1=O,0.16857332,False
18048,Cc1ccccc1N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.61591786,False
18049,Cc1nc(C)c(CN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)s1,[*]N1CCN([*])C1=O,0.67274296,False
18050,N#Cc1ccc2sc(N3CCN(CCN4Cc5ccccc5C4)C3=O)cc2c1,[*]N1CCN([*])C1=O,0.8473679,False
18051,O=C(NCC=CCN1CCN(c2ccc(C#Cc3ccccc3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4584308,False
18052,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1-c1cccc(F)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87178296,False
18053,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1sccc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8971781,False
18054,O=C(NCC=CCN1CCN(c2cccc3nc(O)ccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6703534,False
18055,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82813793,False
18056,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7667163,False
18057,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(F)cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8808935,False
18058,O=C1N(CCN2CC3CCCCC2Cc2ccccc2C3)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.45679465,False
18059,O=C1N(CCN2CCCC(c3ccccc3)C2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.77753234,False
18060,CC1(C)C2CCC1(CN(Cc1ccccc1)CN1CCN(c3ccc(F)cc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.47053486,False
18061,CC1(C)CCN(CCN2CCN(c3ccc(F)c(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7702935,False
18062,CCCCN(CSC)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5279274,False
18063,CCCN(O)C1COc2c(Cc3ccsc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6129839,False
18064,CCCc1cccc2c1OCC(N(CO)C(=O)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.22707796,False
18065,CCNC(=O)Oc1c(C)ccc(Br)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18053916,False
18066,CCOc1c(OC)ccc(C)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16192904,False
18067,CN1CCCC(CN2CCN(c3ccc4c(c3)COCC4)C2=O)C1,[*]N1CCN([*])C1=O,0.44467443,False
18068,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1N,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9367843,False
18069,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(Br)ccc2OCCO)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5298973,False
18070,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(N(C)C)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37640873,False
18071,COc1ccccc1C(=O)NCC=CCN1CCN(c2sc3ccccc3c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4433643,False
18072,COc1ccccc1N1CCN(CC=CCNC(=O)CNc2ccccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81806487,False
18073,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3ccccc3o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9517454,False
18074,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3c2Cc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.870901,False
18075,Cc1ccc(N2CCN(Cc3cc4ccccc4s3)C2=O)cc1,[*]N1CCN([*])C1=O,0.27535453,False
18076,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(-c2ccccc2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5122272,False
18077,O=C(NCC=CCN1CCN(c2ccc3c(c2)C(F)=CC=CC3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48517454,False
18078,O=C1N(CCN2CC3CCCCC(CC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8787342,False
18079,O=C1N(CCN2CCCCCC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.9283396,True
18080,O=C1N(Cc2cccc(F)c2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.31304532,False
18081,O=C1N(c2cccc(Cl)c2)CCN1C1CCCCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.42273834,False
18082,CC(C)N1c2ccccc2CC1CN1CCN(c2ccc3c(c2)OCCC3)C1=O,[*]N1CCN([*])C1=O,0.4858729,False
18083,CC(C)OCC1CCCN(CN2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.43668583,False
18084,CC(CN1CCN(c2cc(Cl)ccc2Cl)C1=O)N1CCCCC1Cc1ccccc1,[*]N1CCN([*])C1=O,0.34950194,False
18085,CC(CN1CCN(c2cccc(Cl)c2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.4926183,False
18086,CC1(C)C2CCC1(CN1CCN(C3COOC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.45520076,False
18087,CC1(C)Cc2ccccc2N1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5614262,False
18088,CC1C2CCCNC(C2)CN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.67129195,False
18089,CC1Cc2cc(N3CCN(c4ccc(Cl)cc4)C3=O)ccc2[N+]([O-])(O)c2ccccc21,[*]N1CCN([*])C1=O,0.29324317,False
18090,CCCCN(CC1NC(=O)CC(=O)C1C)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.451891,False
18091,CCCN(CC)C1COc2c(cccc2C(=O)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5201743,False
18092,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41055536,False
18093,COc1ccccc1C(=O)NCC=CCN1CCN(c2cnc(-c3ccc(Br)cc3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5489113,False
18094,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4c(F)cccc4Cl)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.353779,False
18095,N#CC1c2ccccc2CN1CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.63063115,False
18096,Nc1cc2cc(N3CCN(c4cccc(Cl)c4)C3=O)ccc2s1,[*]N1CCN([*])C1=O,0.34539855,False
18097,O=C(NCC=CCN1CCN(c2ccc3c(c2)Nc2ccccc2C3)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43172118,False
18098,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1nc(-c2ccccc2O)cs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8448985,False
18099,O=C(NCC=CCN1CCN(c2cccc(Cl)c2O)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75629115,False
18100,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c[nH]c2cc(O)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9265438,False
18101,O=C(NCC=CCN1CCN(c2cccs2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46045792,False
18102,O=C(NCC=CCN1CCN(c2ccsc2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44950366,False
18103,O=C1N(CC2(c3ccccc3)CCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.47408804,False
18104,O=C1N(CCC2CCCc3ccccc32)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.6574128,False
18105,CC(C)N(CC1CC1)C1COc2c(Cc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5405105,False
18106,CC1CCC(N2CCN(c3cccc(Cl)c3)C2=O)CN1,[*]N1CCN([*])C1=O,0.42825508,False
18107,CCOc1c(OC)ccc(C(C)C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24215189,False
18108,CN(C)CC12CCC(CC(N3CCN(c4cc(F)cc(Cl)c4)C3=O)C1)CC2(C)C,[*]N1CCN([*])C1=O,0.35252625,False
18109,COCc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8425736,False
18110,COc1cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4218627,False
18111,COc1ccc(Cl)cc1N1CCN(CC=CCNC(=O)c2cccc3c2-c2ccccc2C3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6105243,False
18112,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cnc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8191651,False
18113,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(Br)cc3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9376963,False
18114,Cc1ccc(N2CCN(CCN3CCCc4sccc4C3)C2=O)s1,[*]N1CCN([*])C1=O,0.57876503,False
18115,Cc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8026201,False
18116,Cc1csc2c(N3CCN(CCN4Cc5ccccc5C4)C3=O)cccc12,[*]N1CCN([*])C1=O,0.72711647,False
18117,N#Cc1cccc(N2CCN(CCN3c4ccccc4CC4CCC3CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.5884041,False
18118,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cncnc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9241238,False
18119,O=C1N(CC2CCCCN2)CCN1c1nc2ccccc2s1,[*]N1CCN([*])C1=O,0.45534387,False
18120,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1Cc1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.7921282,False
18121,O=C1N(CNCc2cccc(Cl)c2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.2615109,False
18122,O=C1N(Cc2cc3ccccc3s2)CCN1C1CCc2ccsc2CC1,[*]N1CCN([*])C1=O,0.46522996,False
18123,O=C1N(c2cccc(Cl)c2Cl)CCN1C1CCCCNC1,[*]N1CCN([*])C1=O,0.20817593,False
18124,O=C1c2ccccc2CCN1CCN1CCN(c2csc3ccccc23)C1=O,[*]N1CCN([*])C1=O,0.63439703,False
18125,CC(C)N1CCN(CCN2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.6705476,False
18126,CC(C)c1cccc(N2CCN(C3CCNCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.28416657,False
18127,CCCCN(C(C)=O)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41780633,False
18128,CCCCN(CCC)C1COc2c(cccc2-c2cccnc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6040997,False
18129,CCCN(CC(C)C)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49437147,False
18130,CCCc1cccc2c1OCC(N(CC)CC(=O)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.30391252,False
18131,CCOc1ccc(Br)c(C(=O)NCC2CCCN2C)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23477276,False
18132,CCc1ccc([O-])c(C(=O)NCC2CCCN2Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22017561,False
18133,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.43522146,False
18134,COc1c(C(=O)NCCN2CCN(c3ccccc3OSC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.86460245,False
18135,Cc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1-c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8022702,False
18136,Cc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8007431,False
18137,Cc1cccc(N2CCN(CC3CCCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.509593,False
18138,Cc1ccccc1-c1c(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33480906,False
18139,N#Cc1cc(N2CCN(CCN3CCCc4sccc4C3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.6719201,False
18140,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1cccc(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4725718,False
18141,O=C1N(CC2CCNCC2)CCN1c1ccc2occc2c1,[*]N1CCN([*])C1=O,0.5355985,False
18142,O=C1N(CCN2CCCC3CCCC2C3)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3922946,False
18143,O=C1N(CCN2CCc3ccsc3CC2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.5726211,False
18144,O=C1N(CCN2Cc3ccccc3C2)CCN1c1sccc1-c1cccs1,[*]N1CCN([*])C1=O,0.8624487,False
18145,O=C1N(CN2Cc3ccccc3C2)CCN1C1CCOC1,[*]N1CCN([*])C1=O,0.4937081,False
18146,O=C1N(Cc2cccc(Cl)c2)CCN1Cc1cccc2c1Cc1ccccc1-2,[*]N1CCN([*])C1=O,0.46343705,False
18147,CC1(C)CC2CC1(C)CC(CN1CCN(c3cccc(Cl)c3)C1=O)N2,[*]N1CCN([*])C1=O,0.6282229,False
18148,CCCN(CCc1ccccc1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.77788025,False
18149,CCCc1cccc2c1OCC(N(CC(=O)c1ccoc1)SC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.30672035,False
18150,CCOc1c(SC)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25392368,False
18151,CCc1ccc(F)c(C(=O)NCC2CCCN2C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23707983,False
18152,CN(CN1CCN(c2ccccc2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.57883966,False
18153,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)sc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93486935,False
18154,COc1cccc(N2CCN(CC3CNCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.60921925,False
18155,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3cc(O)ccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39778206,False
18156,COc1ccccc1C(=O)NCC=CCN1CCN(c2sccc2-c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38912052,False
18157,Cc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34591836,False
18158,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1cccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46043995,False
18159,O=C(NCC=CCN1CCN(c2cccc(-c3ccccc3)n2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4427415,False
18160,O=C(NCC=CCN1CCN(c2cccc3cccc(O)c23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7005761,False
18161,O=C1N(CCC2c3ccccc3C[S+]2[O-])CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6688321,False
18162,O=C1N(CCN2CCCC(Cc3ccccc3)C2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.65929633,False
18163,O=C1N(CCN2CCCc3ccsc3C2)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.67000526,False
18164,O=C1N(Cc2ccc(CN3CCCCCC3)o2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.43566132,False
18165,O=C1N(Cc2cccc(Cl)c2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.23049507,False
18166,O=C1N(c2cccc(CN3CCCCC3)c2)CCN1c1cccc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.35957634,False
18167,CC1(C)C2CCC1N(CCN1CCN(c3ccccc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.5010329,False
18168,CCCCN(CC)C1COc2c(cccc2-c2cccnc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45841357,False
18169,CCCN(Cc1ccc(OC(F)(F)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62233603,False
18170,CCOc1c(C)ccc([N+](=O)[O-])c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.11191916,False
18171,CN1CCCCCC1N1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.3608273,False
18172,COc1cc(Cl)cc(N2CCN(CCN3CCCCC3C)C2=O)c1,[*]N1CCN([*])C1=O,0.49365804,False
18173,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89831275,False
18174,COc1cccc(CN2CCN(Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.30174005,False
18175,COc1cccc(Cl)c1-c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37790197,False
18176,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(OCCF)cc2N)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9252696,False
18177,Cc1ccccc1-c1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8291439,False
18178,N#Cc1cccc(CN2CCN(c3ccc4sccc4c3)C2=O)c1Cl,[*]N1CCN([*])C1=O,0.4127924,False
18179,O=C(CNC(=O)c1ccccn1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77982247,False
18180,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1sc2ccccc2c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89680487,False
18181,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccc(F)cc2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8844219,False
18182,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83331096,False
18183,O=C1N(CCN2Cc3ccccc3CC3CCCCC32)CCN1Cc1cccs1,[*]N1CCN([*])C1=O,0.46903235,False
18184,O=C1N(CCn2ccc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.662924,False
18185,O=C1N(Cc2cccc(Cl)c2F)CCN1CC1CCCCN1,[*]N1CCN([*])C1=O,0.424233,False
18186,O=C1N(c2cccc(Cl)c2)CCN1C1Cc2ccsc2CCN1,[*]N1CCN([*])C1=O,0.45269987,False
18187,O=Cc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9626166,False
18188,CC1(C)CC2(C)CCCN(CN3CCN(c4cccc(Cl)c4)C3=O)C2(C)C1,[*]N1CCN([*])C1=O,0.4387704,False
18189,CC12CCC(CN(CCN3CCN(c4ccccc4)C3=O)C(C)(C)C1)C2,[*]N1CCN([*])C1=O,0.54420173,False
18190,CCCCc1ccc(OCl)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8190802,False
18191,CCCN(CCC)C1COc2c(cccc2-c2ccc(C=O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8093958,False
18192,CCN(CF)C1COc2c(CC(C)C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57459205,False
18193,CCc1cccc2c1OCC(N(Cc1cc[nH]c1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.53628945,False
18194,COc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8985501,False
18195,COc1cccc(C2CCCN(CN3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.6062244,False
18196,Cc1cc(CN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)ccn1,[*]N1CCN([*])C1=O,0.60683846,False
18197,Cc1cccc(CN2CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.7168566,False
18198,O=C(NCC=CCN1CCN(c2cc(F)cc(F)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5016591,False
18199,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(F)cc3)s2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4401091,False
18200,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccsn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9357887,False
18201,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45566612,False
18202,O=C(NCCN1CCN(O)CC1)c1cc(Br)c2ccccc2c1-c1cccc(Cl)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39215916,False
18203,O=C1N(CC2(O)CCNCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4165478,False
18204,O=C1N(CC2CCN(CC(F)c3cccc(F)c3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.61799514,False
18205,O=C1N(CCN2CCC3CCCc4ccccc4CC2C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5142927,False
18206,O=C1N(CCN2CCOCC3CCCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5237103,False
18207,O=C1N(CNCC2CCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.34404406,False
18208,O=C1N(Cc2cccc(Cl)c2)CCN1CC1CCC2Cc3ccccc3CCCN2C1,[*]N1CCN([*])C1=O,0.49602506,False
18209,CC(C)(C)c1ccc(N2CCN(CC3CCCCN3)C2=O)cc1,[*]N1CCN([*])C1=O,0.46581772,False
18210,CCNCOc1c(C)ccc(Br)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15411556,False
18211,CCOOc1c(CC)ccc(C)c1C(=O)NCC1CCCN1SC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15790245,False
18212,CCOc1c(Cl)ccc(C(C)=O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2405283,False
18213,CCc1ccc(C)c(C(=O)NCC2CCCN2Br)c1O[O-],[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.13146159,False
18214,COc1c(C(=O)NCCN2CCN(c3cc(Cl)ccc3N)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.75988734,False
18215,COc1c(C(=O)NCCN2CCN(c3ccccc3[SH](C)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7921705,False
18216,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42464903,False
18217,COc1cccc(N2CCN(CCNCC34CCCCC3CCC4)C2=O)c1,[*]N1CCN([*])C1=O,0.51416254,False
18218,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccn3nc(O)cc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8317012,False
18219,N#Cc1ccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.8346602,False
18220,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccc(F)cc2)co1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.875938,False
18221,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc([N+](=O)[O-])nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89911723,False
18222,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccccc2c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92337316,False
18223,O=C(NCC=CCN1CCN(c2cccc3c2C(O)c2ccccc2Cc2ccccc2-3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7318196,False
18224,O=C(NCC=CCN1CCN(c2ccccc2-c2ccc[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.787182,False
18225,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1cccc([N+](=O)[O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.569892,False
18226,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1cccc([N+](=O)[O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3445066,False
18227,O=C1N(CCN2CC3CCC(Cc4ccccc4C3)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.582785,False
18228,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccco1,[*]N1CCN([*])C1=O,0.8163547,False
18229,O=C1N(CCNCc2ccncc2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.34198526,False
18230,O=C1N(c2cccc(Cl)c2)CCN1C1CCC(NOCc2cccc(Cl)c2)CC1,[*]N1CCN([*])C1=O,0.38786516,False
18231,O=C1N(c2cccc(Cl)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3702984,False
18232,C=CN(Cc1ccoc1)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56259483,False
18233,CC(=O)CN(C(C)C)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.25463033,False
18234,CCCCN(C)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57436293,False
18235,CCc1ccc(C)c(OSC)c1C(=O)NCC1CCCN1CO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.44577378,False
18236,CCc1ccc(OS(C)(=O)=O)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.802671,False
18237,CN(C)Cc1cccc(CN2CCN(c3ccc(Cl)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.3177221,False
18238,CN(CC12CCCC(CC1)C2(C)C)N1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.38046503,False
18239,CN1CCCCC1CN1CCN(c2ccc(C(F)(F)F)cc2)C1=O,[*]N1CCN([*])C1=O,0.46957922,False
18240,COc1c(C(=O)NCCN2CCN([N+](=O)c3cccc([N+](=O)[O-])c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3509076,False
18241,COc1ccc(OCCF)c(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4118841,False
18242,COc1ccc2c(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc(F)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5443786,False
18243,COc1cccc(C(=O)NCC=CCN2CCN(c3ccccn3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49230456,False
18244,COc1cccc(CN2CCCC(N3CCN(c4cccc(Cl)c4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.46395358,False
18245,Cc1ccc(C=O)cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4350572,False
18246,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(OCF)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95055234,False
18247,O=C(NCC=CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccc(Cl)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42523715,False
18248,O=C1N(CCN2CCCCCC2)CCN1c1nccs1,[*]N1CCN([*])C1=O,0.6484198,False
18249,O=C1N(CCN2CCN(Cc3ccc(Cl)cc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8188811,False
18250,O=C1N(CCN2CCc3ccsc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.6650133,False
18251,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5740914,False
18252,O=C1N(c2ccccc2)CCN1C1CCCCC1OCc1ccccc1,[*]N1CCN([*])C1=O,0.2919039,False
18253,CC1(C)c2ccccc2CN1CCN1CCN(c2ccc3ccccc3c2)C1=O,[*]N1CCN([*])C1=O,0.64786744,False
18254,CCCCN(CC)C1COc2c(C=S(=O)(O)c3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.38272402,False
18255,CCCN(CO)C1COc2c(CCCN3C(=O)CC(C)(C)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5468112,False
18256,CCCc1cccc2c1OCC(N(COC)C1CCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.51901853,False
18257,CCOOc1c(CC)ccc(C)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1079412,False
18258,CN(C)[N+](=O)c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42200586,False
18259,CN1CCc2ccc(N3CCN(CCc4ccccc4)C3=O)cc2C1,[*]N1CCN([*])C1=O,0.5546846,False
18260,COCC1CC2CCCC(C1)N2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.74752474,False
18261,COc1c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc2cc(O)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92258286,False
18262,COc1ccc(-c2cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)on2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3539346,False
18263,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7548646,False
18264,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(F)cc3)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9235708,False
18265,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(F)cn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9499539,False
18266,Cc1ccc(C)c(C(=O)NCC=CCN2CCN(c3ccccn3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34554195,False
18267,Nc1ccccc1C(=O)NCC=CCN1CCN(c2cc(Cl)ccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.578268,False
18268,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc(-c2ccccc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9113265,False
18269,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccc(-c2cnc[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40550184,False
18270,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(Cl)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84827286,False
18271,O=C1N(CC2(F)CCCNC2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.4098214,False
18272,O=C1N(CCN2CCC3CCCCC3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7091993,False
18273,O=C1N(CCN2CCCC(c3ccccc3)C2)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.59769434,False
18274,CC(=O)c1cccc2c1OCC(N(O)CC(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.2737807,False
18275,CC1(C)CC2CCC(C)(CN2CCN2CCN(c3ccc(Cl)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.565557,False
18276,CCCCCN(c1ccccc1OC)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5095137,False
18277,CCCN(CCC)C1COc2c(cccc2C(=O)C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.684686,False
18278,CCCN1CCN(c2cccc(OC)c2)C1=O,[*]N1CCN([*])C1=O,0.6177077,False
18279,CCN1CCCC1CNC(=O)c1c(C)ccc(Br)c1O[N+](=O)[O-],[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5377875,False
18280,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C2=CC=C(C)[N+]C=CC=C2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.23856904,False
18281,COc1c(C(=O)NCCN2CCN(C(=O)c3cccc(C)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.25524035,False
18282,COc1cccc(-c2c(C(=O)NCCN3CCN(CO)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.30817416,False
18283,COc1cccc(-c2ccccc2C(=O)NCC=CCN2CCN(c3cccc(OC)n3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36747873,False
18284,COc1cccc(CN2CCN(CCCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.74094814,False
18285,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3c(c2)CCNc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41381964,False
18286,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(C)c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6334857,False
18287,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69844884,False
18288,Cc1ccc2c(c1)CCN(CCN1CCN(c3ccc(Cl)cc3)C1=O)C2,[*]N1CCN([*])C1=O,0.6496291,False
18289,Cc1ccccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)ccn1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8091686,False
18290,Cc1ccccc1N1CCN(CCN2CCN(c3cccc(Cl)c3)C2)C1=O,[*]N1CCN([*])C1=O,0.58977413,False
18291,N#Cc1cccc(C2CCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.91579163,False
18292,O=C(NCC=CCN1CCN(c2cc(-c3ccccc3)n[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46817318,False
18293,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52036214,False
18294,O=C(NCC=CCN1CCN(c2ccc(O)cc2OCCF)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5921529,False
18295,CC(C)N1CCN(C2COCCN2)C1=O,[*]N1CCN([*])C1=O,0.20723471,False
18296,CC(C)c1cccc(N2CCN(Cc3ccc(Cl)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.3550542,False
18297,CC(CN1CCN(c2cccc(Cl)c2)C1=O)NC1CCCc2sccc2C1,[*]N1CCN([*])C1=O,0.46097007,False
18298,CC(CN1Cc2ccccc2C1)CN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6868259,False
18299,CC(CN1Cc2ccccc2C1)N1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.46954924,False
18300,CC1CCCC12CCCN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.8236528,False
18301,CCCc1cccc2c1OCC(N(CC)CC(F)(F)c1ccc(F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.60478413,False
18302,CCN1CCN(Cc2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.22885191,False
18303,CN(C)CCN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.80460423,False
18304,CN1CCc2ccc(CN3CCN(c4cc(Cl)cc(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.4917284,False
18305,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2SC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4285121,False
18306,COc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)cc1[N+](=O)[O-],[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8299415,False
18307,COc1ccc2[nH]c(N3CCN(CC=CCNC(=O)c4ccccc4F)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33497483,False
18308,COc1ccccc1CNN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.20387675,False
18309,COc1ncccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9113041,False
18310,Cc1cc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)ccc1-c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8148728,False
18311,N#Cc1c(F)cccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.7901208,False
18312,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1ccc(-c2cc(O)ccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4800904,False
18313,O=C(NCC=CCN1CCN(c2cc(Br)cs2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3991897,False
18314,O=C1N(CC2CCC(Cc3ccccc3)NC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6173305,False
18315,O=C1N(CCN2CCN(Cc3ccsc3)CC2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.7289541,False
18316,C=CN(CCCC)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.587339,False
18317,CC(O)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9108501,False
18318,CC1(C)CC2CCC(CNCN3CCN(c4ccccc4)C3=O)(C1)C2(C)C,[*]N1CCN([*])C1=O,0.35881105,False
18319,CC1Cc2ccccc2N1CCN1CCN(c2ccc3c(c2)OCC3)C1=O,[*]N1CCN([*])C1=O,0.5222975,False
18320,CCC1CC2(C)CC1C(C)(C)C2CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.47792855,False
18321,CCCCN(C(=O)c1cccc(OC)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.24610919,False
18322,CCCN(C(C)C)C1COc2c(cccc2-c2cccc(OC)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5720872,False
18323,CCN1CCCC1CNC(=O)c1c(C)ccc(S(=O)(=O)O)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5732334,False
18324,CCOc1c(C)ccc(Br)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14865515,False
18325,CN(CN1CCN(c2cccc(Cl)c2)C1=O)CC12CCC(CC1)CC2(C)C,[*]N1CCN([*])C1=O,0.777379,False
18326,CN(c1ccccc1)c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9335656,False
18327,COc1cc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8820552,False
18328,COc1ccc(F)cc1C(=O)NCC=CCN1CCN(c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9888503,False
18329,COc1ccc2c(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)csc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84553295,False
18330,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(F)c3Cl)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.854978,False
18331,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(O)c3)cc2)CC1)c1cccc(Cl)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5669028,False
18332,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(Oc2ccccc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8715163,False
18333,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9118776,False
18334,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1c[nH]c2ccc(O)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59249014,False
18335,O=C1N(CCN2CCC3CCCCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.79906416,False
18336,O=C1N(CCN2CCOCC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.39753538,False
18337,O=C1N(c2ccc(F)c(Cl)c2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.24515836,False
18338,CC1(C)CC2CCC(C)(CN2CCN2CCN(c3cccnc3)C2=O)C1,[*]N1CCN([*])C1=O,0.51597583,False
18339,CCCN(C(C)C)C1COc2c(cccc2-c2ccc(O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54015446,False
18340,CCCN(CC1CCCC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6391203,False
18341,CCCc1ccc(OCC)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2606241,False
18342,CCCc1cccc2c1OCC(N(CC(C)=O)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3012006,False
18343,CCN1CCCC1CNC(=O)c1c(OC)ccc(CCCCS)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.85128087,False
18344,CCOc1c(CO)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22084934,False
18345,CCc1cccc2c1OCC(N(CC(C)=O)C(C)CC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.29834437,False
18346,CCc1cccc2c1OCC(N(COC(C)=O)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.2313072,False
18347,CN1CCCC(N2CCN(Cc3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.40036702,False
18348,COCC1CCCN1c1cccc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.4968001,False
18349,COc1ccc(C)c(C(=O)NCC=CCN2CCN(c3cc(C)ccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39820042,False
18350,COc1cccc(C(C)N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.30005085,False
18351,COc1cccc(C2CCCN(CCN3CCN(c4ccccc4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.89479166,False
18352,COc1cccc2c(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)coc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5054849,False
18353,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4cccc(OCCF)c4)CC3)[nH]c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37146574,False
18354,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Cl)c(Br)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94977427,False
18355,Cc1ccc(F)cc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38047108,False
18356,N#Cc1cccc(N2CCN(CCN3CCN(Cc4cccc(Cl)c4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.7503036,False
18357,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc2c(O)c[nH]c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8867836,False
18358,O=C1N(CCNC#Cc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.56220317,False
18359,O=C1N(Cc2cccc(Cl)c2)CCN1C1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.53209203,False
18360,CC(C)N1CCCN(CCN2CCN(c3cccc(S(C)(=O)=O)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.80977786,False
18361,CC(C)N1CCN(CCN2CCCCC2)C1=O,[*]N1CCN([*])C1=O,0.47499305,False
18362,CC12CCC(CCC(N3CCN(c4cccc(Cl)c4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.3771925,False
18363,CCCCCC1C2CCC2N1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7234457,False
18364,CCCCN(C1CCCC1)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43610674,False
18365,CCCCN(C1COc2c(CC)cccc2C1)C(F)(F)c1cccc(C(F)(F)F)c1,[*]CN([*])C1COc2c([*])cccc2C1,0.4353103,False
18366,CCCN(CO)C1COc2c(Cc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5906455,False
18367,CCCN(c1ccc(C(F)(F)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5933252,False
18368,CCCc1cccc2c1OCC(N(CC)Cc1ccccc1C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4913078,False
18369,CCN(CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O)C1CCCCC1,[*]N1CCN([*])C1=O,0.5273295,False
18370,COc1c(C(=O)NCCN2CCN(c3ccc([N+](=O)O)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8717697,False
18371,COc1cccc2[nH]c(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9663258,False
18372,COc1cccc2c1NC(C(=O)NCC=CCN1CCN(c3ccccc3OCCF)CC1)=CC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8341968,False
18373,Cc1cscc1N1CCN(c2csc3ccccc23)C1=O,[*]N1CCN([*])C1=O,0.15315345,False
18374,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1coc(-c2ccc(O)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8379622,False
18375,O=C1N(CCN2CCCC(C(F)(F)F)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.91554636,False
18376,O=C1N(CCN2CCCCCC2)CCN1Cc1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.5853472,False
18377,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc2ccsc12,[*]N1CCN([*])C1=O,0.73631376,False
18378,O=C1N(CCN2Cc3ccccc3C2CF)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.55508804,False
18379,O=C1N(Cc2cc3ccccc3s2)CCN1c1cccc(OCCF)c1,[*]N1CCN([*])C1=O,0.37290993,False
18380,O=C1N(Cc2cccnc2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3012631,False
18381,CC(C)N1CCN(CCN2CCN(c3ccc(Cl)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.74263954,False
18382,CC12CCC(CN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC1)C2(C)C,[*]N1CCN([*])C1=O,0.7442847,False
18383,CCCCN(O)C1COc2c(Cc3ccc(C)cc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3399572,False
18384,CCCN(CC)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.73644423,False
18385,CCCN(CCC)C1COc2c(cccc2S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5245091,False
18386,CCCN(CS(C)(=O)=O)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6086139,False
18387,CCN(CC(C)=O)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.36338088,False
18388,CCNCCN1CCN(C2COOC2)C1=O,[*]N1CCN([*])C1=O,0.4035258,False
18389,CCOc1ccc2c(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46521404,False
18390,CN(C)c1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8438833,False
18391,CN(Cc1cc2ccccc2s1)CN1CCN(c2cccnc2)C1=O,[*]N1CCN([*])C1=O,0.30894512,False
18392,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(C)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3376854,False
18393,COc1ccc(C)cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4967786,False
18394,COc1ccc2[nH]c(C(=O)NCC=CCN3CCN(c4ccc(Cl)cc4)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46197537,False
18395,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c(-c3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8711009,False
18396,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Br)cc(OC)c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9888503,False
18397,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccnc3Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8839908,False
18398,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccn(C)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94342834,False
18399,O=C(NCC=CCN1CCN(c2c[nH]c(-c3ccc(Cl)cc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4515541,False
18400,O=C(NCC=CCN1CCN(c2cc(-c3ccccc3)ccn2)CC1)c1cccc(C(F)(F)F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38848758,False
18401,O=C(NCC=CCN1CCN(c2cc(-c3ccccc3)cs2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3685188,False
18402,O=C(NCC=CCN1CCN(c2ccc3c(OCCF)cccc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4047446,False
18403,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(NC(=O)c2ccc(O)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71308255,False
18404,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1sccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8997024,False
18405,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.6462037,False
18406,CC1(C)C2CCC1(CNCCN1CCN(c3cccc(C#N)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.53639174,False
18407,CCC1C2C(C)(C)CC2(C)CN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7415299,False
18408,CCCCN(C(C)=O)C1COc2c(cccc2C(=O)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.34339055,False
18409,CCCc1cccc2c1OCC(N(CCC)C(C)(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.68487173,False
18410,CCN1CCCC1CNC(=O)c1c(C)ccc(C)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.65519077,False
18411,CCOc1c(C)ccc(S)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1665456,False
18412,CCc1ccc(C)c(O[SH](C)C)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17843018,False
18413,CCc1cccc2c1OCC(N(C)Cc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.46354458,False
18414,CN1CCCCC1CN1CCN(C2CCCCC2)C1=O,[*]N1CCN([*])C1=O,0.41831753,False
18415,COC1=CC=CC=c2[nH]cc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c2=C1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4784195,False
18416,COc1c(C(=O)NCCN2CCN(c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.75080407,False
18417,COc1c(OCCF)cccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6869303,False
18418,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)ccc1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2680482,False
18419,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OC)c(-c3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39548922,False
18420,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(C)c2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.615328,False
18421,N#Cc1cccc(CN2CCN(c3cccs3)C2=O)c1,[*]N1CCN([*])C1=O,0.27395597,False
18422,Nc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5036971,False
18423,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NC(=O)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9228542,False
18424,O=C1N(CC2NCCc3c(CO)cccc32)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.33242798,False
18425,O=C1N(CN2CCCCCC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.38495642,False
18426,O=C1N(Cc2ccccc2F)CCN1CC1CCCCN1,[*]N1CCN([*])C1=O,0.39735302,False
18427,CC(C)(F)Oc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8616383,False
18428,CC(C)N(C)Cc1cccc(N2CCN(c3cccnc3)C2=O)c1,[*]N1CCN([*])C1=O,0.19726934,False
18429,CC(C)N(CCC1CC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46610293,False
18430,CC(NC1CCC(CN2CCN(c3cccc(Cl)c3)C2=O)CC1)c1ccccc1,[*]N1CCN([*])C1=O,0.39492324,False
18431,CC(c1ccc(Cl)cc1)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7811098,False
18432,CC1CCCN(CCN2CCN(c3ccc4sccc4c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.66965324,False
18433,CCCN(C(C)C)C1COc2c(cccc2OC(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7068018,False
18434,CCc1ccc(CC)c(C(=O)NCC2CCCN2Cl)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20908031,False
18435,CCc1ccc(CCO)c(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23109691,False
18436,COCc1ccc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.41068473,False
18437,COc1c(C(=O)NCCN2CCN(c3c(C)cccc3O)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.83120763,False
18438,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccncc3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32376373,False
18439,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2CCO)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73920494,False
18440,Cc1cccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45964456,False
18441,Cc1cccc(CN(C)CCN2CCN(c3cccc(Cl)c3Cl)C2=O)c1,[*]N1CCN([*])C1=O,0.4808444,False
18442,O=C(NCC=CCN1CCN(c2ccc(OCCF)c(F)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43048978,False
18443,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1cccc(Cl)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5776884,False
18444,O=C(NCC=CCN1CCN(c2ccc3ccccc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49814078,False
18445,O=C(NCC=CCN1CCN(c2cccc(Cl)c2CF)CC1)c1cc2ccccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7383104,False
18446,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.77905935,False
18447,O=C1N(Cc2cc3ccccc3s2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.30125815,False
18448,O=C1N(Cc2cccc(Cl)c2)CCN1CC1CCCCN1,[*]N1CCN([*])C1=O,0.36165193,False
18449,CC(C)N1CCN(CCN2CCN(c3cc4ccccc4s3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7396946,False
18450,CCCCc1ccc(CC)c(OC)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24246313,False
18451,CCCN(Cc1ccc(C)cc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5823303,False
18452,CCCc1cccc2c1OCC(N(CCC)c1ccc3ccccc3c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.56955427,False
18453,CCN1CCCC1CNC(=O)c1c(C)ccc(O)c1OCNC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7083376,False
18454,CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5936508,False
18455,CCc1ccc(CCCCl)c(C(=O)NCC2CCCN2Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24512316,False
18456,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7095909,False
18457,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c(N)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.924625,False
18458,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39792368,False
18459,COc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3CO)CC2)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.86352146,False
18460,COc1ccc2nc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87062925,False
18461,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(N)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42766038,False
18462,O=C(Cc1ccccc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7751282,False
18463,O=C(NCC=CCN1CCN(CCc2ccccc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4276025,False
18464,O=C(NCC=CCN1CCN(c2ccc(Oc3ccccc3)cc2OCCF)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6346318,False
18465,O=C(NCC=CCN1CCN(c2ccccc2C(F)(F)F)CC1)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.844303,False
18466,O=C1N(CCN2CC3CCCc4ccccc4CC2CC3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5887426,False
18467,O=C1N(CCN2CCC(c3ccccc3)CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.84036505,False
18468,O=C1N(CCN2CCC3Cc4ccccc4CCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5979161,False
18469,O=C1N(CCN2CCCc3sccc3C2)CCN1c1cc(Cl)ccn1,[*]N1CCN([*])C1=O,0.54570025,False
18470,O=C1N(Cc2cccc3c2CNCC3)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.40869418,False
18471,O=C1N(Cc2ccncc2)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.38302857,False
18472,CC(C)c1cccc2c1OCC(N(C)Cc1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5184787,False
18473,CC1(C)c2ccccc2CC2CCC1CCN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.74368745,False
18474,CC1CC(N2CCN(c3ccc(F)c(Cl)c3)C2=O)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.46288118,False
18475,CCCCN(Br)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5430751,False
18476,CCCCN(CC)C1COc2c(cccc2S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.32795346,False
18477,CCCN(CC(O)c1ccc(C)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47335708,False
18478,CCN1CCN(CC2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.36916456,False
18479,CCOc1c(Br)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24079747,False
18480,CN(CN1CCN(c2cccc(F)c2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.56701076,False
18481,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2Cc2c[nH]c3ccccc23)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.40761274,False
18482,COc1c(C(=O)NCCN2CCN(Cc3ccccc3Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.354204,False
18483,COc1c(C(=O)NCCN2CCN(c3ccc(C(C)=O)c(Cl)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8366547,False
18484,COc1ccc(Br)cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5377894,False
18485,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36560044,False
18486,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c(=O)oc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6982482,False
18487,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c(-c3ccccc3)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91066736,False
18488,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9888503,False
18489,Cc1ccc(N)cc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7535294,False
18490,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2cccnc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91068405,False
18491,O=C1N(CCN2CCN(CC#Cc3ccccc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8017947,False
18492,O=C1N(Cc2ccccc2)CCN1Cc1cccnc1,[*]N1CCN([*])C1=O,0.31204638,False
18493,CC(C)N1C2CCC(N3CCN(c4cccc(Cl)c4)C3=O)CC1CC2,[*]N1CCN([*])C1=O,0.40244395,False
18494,CC(C)N1CCN(CC2CCCCC2)C1=O,[*]N1CCN([*])C1=O,0.28309444,False
18495,CCCCN(C(=O)c1ccc(Cl)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.23274681,False
18496,CCCN(CCC)C1COc2c(cccc2C(=O)NC(C)(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6406758,False
18497,CCCc1cccc2c1OCC(N(CC)Cc1cnoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5890874,False
18498,CCCc1cccc2c1OCC(N(COC)CC1(C(C)C)CCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.55212253,False
18499,CCOc1c(O)ccc(Cl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.26050687,False
18500,CN(Cc1cc2ccccc2s1)CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.37227207,False
18501,CNc1cc(F)ccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.500522,False
18502,COc1c(C(=O)NCCN2CCN(c3cccc([N+])c3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.9117239,False
18503,Cc1c(C(=O)NCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.733254,False
18504,Cc1cccc(C(=O)NCN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.14488733,False
18505,NC(=O)c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.964598,False
18506,O=C(NCC=CCN1CCN(c2ccc(O)cc2F)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.61465955,False
18507,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1cccc(Cl)c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5416182,False
18508,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Oc2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93695754,False
18509,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(C(=O)Oc2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79451,False
18510,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccn(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83825433,False
18511,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1nc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7032645,False
18512,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1[nH]ccc1-c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87335443,False
18513,O=C(NCC=CCN1CCN(c2coc(-c3ccc(F)cc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42462996,False
18514,O=C1N(CNC2CCCCC2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.3216443,False
18515,O=C1N(c2ccsc2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.24487771,False
18516,CC(C)N1CCN(c2c(Cl)cccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.20433168,False
18517,CC(C)N1CCc2ccc(N3CCN(C4CCc5ccccc5C4)C3=O)cc21,[*]N1CCN([*])C1=O,0.3048211,False
18518,CC(NCc1cccs1)N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.33426338,False
18519,CCCCN(c1ccc(C)s1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48082617,False
18520,CCCCc1cccc2c1OCC(N(CC)CF)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5675738,False
18521,CCCc1cccc2c1OCC(N(CCC)c1cc(C(C)=O)co1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4484168,False
18522,COc1cc(Cl)cc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.7905181,False
18523,COc1ccc(Cl)cc1N1CCN(CC=CCNC(=O)c2cccc([N+](=O)[O-])c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5151378,False
18524,COc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78631985,False
18525,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3cc(Cl)ccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4667386,False
18526,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(C)cc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55080044,False
18527,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9888503,False
18528,Cc1cccc(N2CCN(CC3CCCNC3)C2=O)c1,[*]N1CCN([*])C1=O,0.45160162,False
18529,O=C(NCC=CCN1CCN(c2c[nH]c3cc(OCF)ccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5173135,False
18530,O=C(NCC=CCN1CCN(c2ccc(Cc3ccccc3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47460744,False
18531,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc(Br)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72338337,False
18532,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ncccc2O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75987244,False
18533,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c[nH]cc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8033821,False
18534,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(CF)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9120949,False
18535,O=C1N(CC2CNCc3ccccc32)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.6304281,False
18536,O=C1N(CCN2CCC(OCc3ccccc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8921295,False
18537,O=C1N(CCN2CCN(Cc3ccc(F)cc3)CC2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.6598192,False
18538,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.63428444,False
18539,O=C1N(c2cccc(Cl)c2)CCN1C1NCCC12CCc1ccccc1C2,[*]N1CCN([*])C1=O,0.39428562,False
18540,C#CCN1CCC2(CCC(CCCN3CCN(c4ccccc4)C3=O)C2(C)C)C1,[*]N1CCN([*])C1=O,0.54148465,False
18541,CC1CCCCCN1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5227388,False
18542,CC1CCc2ccc(N3CCN(c4ccc5ccccc5c4)C3=O)cc2C1O,[*]N1CCN([*])C1=O,0.33786803,False
18543,CC1CCc2ccc(N3CCN(c4cccc(OC(C)C)c4)C3=O)cc2N1,[*]N1CCN([*])C1=O,0.26885608,False
18544,CCCCN(O)C1COc2c(cccc2C2(C(C)C)CCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.44587952,False
18545,CCCN(C(C)C)C1COc2c(cccc2-c2ccncc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5746662,False
18546,CCCc1cccc2c1OCC(N(CCC)c1ccc(C(=O)C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.26148957,False
18547,CCN1CCCC1CNC(=O)c1c(Br)ccc(S(C)(=O)=O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7456102,False
18548,CCOc1c(C)ccc(S(C)=O)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17981079,False
18549,CN1CC(N2CCN(c3cccc(Cl)c3)C2=O)CCC12CCc1ccccc1C2,[*]N1CCN([*])C1=O,0.528951,False
18550,CN1CC2CCCC1CC2N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.49805284,False
18551,COC(=O)c1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.77877736,False
18552,COc1c(C(=O)NCCN2CCN(c3ccc(C)c(Cl)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.82258743,False
18553,COc1c(C(=O)NCCN2CCN(c3cccc(N)c3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.86332893,False
18554,COc1cccc(F)c1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3365022,False
18555,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)c(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91067684,False
18556,O=C1N(CN2CCCCC2COc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4745044,False
18557,O=C1N(CN2CCN(CCc3cccc(Cl)c3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5782169,False
18558,O=C1N(c2cccc(Cl)c2)CCN1C1CC2CCC(C1)N2Cc1ccccc1,[*]N1CCN([*])C1=O,0.5164614,False
18559,O=C1N(c2cccc(Cl)c2)CCN1C1CCc2sccc2C1,[*]N1CCN([*])C1=O,0.4261249,False
18560,C=CCOc1c(CC)ccc(Br)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21398073,False
18561,CC1(C)C2CCC1(CNCCN1CCN(c3cccc(C(F)(F)F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.5533497,False
18562,CC1NCCc2cc(N3CCN(c4ccccc4Cl)C3=O)ccc2[S+]([O-])c2ccccc21,[*]N1CCN([*])C1=O,0.37927446,False
18563,CCCN(Cc1cc[nH]c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6660322,False
18564,CCCc1cccc2c1OCC(N(CCC)NC(=O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.411742,False
18565,CCOc1c(C)ccc([SH](C)(=O)O)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16630267,False
18566,CCc1cccc2c1OCC(N(CO)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.40169275,False
18567,CN(C)CN1CCN(c2ccc3c(c2)Cc2ccccc2CC3)C1=O,[*]N1CCN([*])C1=O,0.4817238,False
18568,COc1ccc2c(N3CCN(CC=CCNC(=O)c4cccc(OCCF)c4)CC3)c[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47820616,False
18569,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4F)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3305853,False
18570,COc1cccc(OC)c1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4032275,False
18571,COc1ccccc1N1CCN(CC=CCNC(=O)C=CCNC(=O)c2ccccc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8292391,False
18572,Cc1cccc(N2CCN(CC3CCCCN(C)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.46635374,False
18573,O=C(NCC=CCN1CCN(c2c[nH]c3ccc(OCCF)cc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.61650485,False
18574,O=C(NCC=CCN1CCN(c2ccncc2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48436978,False
18575,O=C1N(CC2CC=Cc3ccsc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5553608,False
18576,O=C1N(CC2CCCCN2Cc2cccc(Cl)c2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.27638143,False
18577,O=C1N(CCNC2CCC3CCC(C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6019101,False
18578,O=C1N(CN2CCN(Cc3ccccc3Cl)CC2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.35418963,False
18579,O=C1N(c2cccc3ccsc23)CCN1C1COCCN1,[*]N1CCN([*])C1=O,0.15291455,False
18580,CC(C)N1CCN(c2cccc(CN3CCCCC3)c2)C1=O,[*]N1CCN([*])C1=O,0.28791136,False
18581,CC(C)N1CCc2ccccc2C1CN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.60772014,False
18582,CC(Cn1cccc1)N1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.29027715,False
18583,CC1(C)CC2CC(N(CCN3CCN(c4cccc(Cl)c4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.8038239,False
18584,CC1Cc2ccccc2CN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.74974686,False
18585,CCCCN(CC)C1COc2c(cccc2C(F)c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42958608,False
18586,CCCN(CCC)C1COc2c(cccc2C(F)(F)c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7347383,False
18587,CCCc1cccc2c1OCC(N(CC)COc1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6221616,False
18588,CCCc1cccc2c1OCC(N(CCC)Oc1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6862866,False
18589,CN(C)CCN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.6568066,False
18590,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([N+]([O-])[O-])c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33383092,False
18591,COc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44802305,False
18592,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4736832,False
18593,COc1cccc(C2CCCCN(CCN3CCN(Cc4ccc(Cl)cc4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.551413,False
18594,COc1ccccc1C(=O)NCC=CCN1CCN(C(NCC=O)c2ccc(Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.27705637,False
18595,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc4ccccc4n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8857204,False
18596,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3O)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8844792,False
18597,O=C1N(CCN2Cc3ccccc3O2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5879634,False
18598,O=C1N(CCNCC2CCCc3ccccc32)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.5956619,False
18599,O=C1N(Cc2cccc(OC(F)(F)F)c2)CCN1CC1CCCNC1,[*]N1CCN([*])C1=O,0.35625178,False
18600,O=C1N(c2ccc3ccoc3c2)CCN1C1CCCNCC1,[*]N1CCN([*])C1=O,0.36024585,False
18601,O=Cc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8734228,False
18602,CC(CN)c1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)s1,[*]N1CCN([*])C1=O,0.79573464,False
18603,CC1(C)CC2CCC1CN(CCN1CCN(c3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.64374757,False
18604,CC1Cc2ccccc2N1C(=O)CN1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.31990674,False
18605,CCCCc1ccc(CC)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8251522,False
18606,CCCN(COc1ccc(OC)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.60530883,False
18607,CCN1CCCC1CNC(=O)c1c([N+](=O)[O-])ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.72102404,False
18608,CONc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8953604,False
18609,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)s2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8966314,False
18610,COc1ccc(COc2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96211755,False
18611,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(O)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4050164,False
18612,COc1ccccc1C(=O)NCC=CCN1CCN(c2cscc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.58807456,False
18613,COc1ccccc1C(=O)NCCC(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.767387,False
18614,Cc1cccc(N2CCN(CC3Cc4ccccc4N3)C2=O)c1,[*]N1CCN([*])C1=O,0.58318233,False
18615,N#Cc1cccc(N2CCN(CC(=O)NCc3ccc(F)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.14376979,False
18616,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1=CC=Cc2cccc(O)c2C1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70369184,False
18617,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(O)ccc1-c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90959895,False
18618,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(OCCF)c(Oc2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.831935,False
18619,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(Oc2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89839524,False
18620,O=C1N(CCN2CCc3ccccc3C2)CCN1CC1COCCN1,[*]N1CCN([*])C1=O,0.55317044,False
18621,O=C1N(CCN2Cc3ccc(Cl)cc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.694691,False
18622,O=C1N(c2cccc(Cl)c2)CCN1C1CCOC1,[*]N1CCN([*])C1=O,0.39441764,False
18623,CC(C)N1CCN(CC=CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.3919535,False
18624,CC(C)Oc1cccc(N2CCN(C3CCN(Cc4cccc(Cl)c4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.5262713,False
18625,CC1(C)CC2CCC1(CNCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.6699362,False
18626,CC1Cc2ccccc2N1CCN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.5736034,False
18627,CCCN(C(C)C)C1COc2c(cccc2-c2ccc[nH]2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6067022,False
18628,CCCN(CCC)C1COc2c(COc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.770102,False
18629,CCCN(Cc1ccc(OC)cc1)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51141465,False
18630,CCCc1cccc2c1OCC(N(CCC)c1ccc(S(=O)(=O)[O-])cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.41207403,False
18631,CN1c2ccccc2CC2CCC(N3CCN(c4cccc(Cl)c4Cl)C3=O)C1CC2,[*]N1CCN([*])C1=O,0.5107971,False
18632,COc1ccccc1C(=O)NCC=CCN1CCN(c2c(C)ccc(OC)c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31944823,False
18633,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(-c3ccc(Cl)cc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48845503,False
18634,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(-c3ccccn3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93611884,False
18635,COc1ccncc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92346287,False
18636,Cc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9174091,False
18637,Cc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8463855,False
18638,Cc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30489758,False
18639,Cc1coc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.70294136,False
18640,O=C(NCC=CCN1CCN(C2=Cc3ccccc3CC=C2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3594595,False
18641,O=C(NCC=CCN1CCN(c2ccc3nccnc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.377158,False
18642,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc(-c2ccccc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9499258,False
18643,O=C1N(CCNCc2cc3ccccc3s2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.36884788,False
18644,O=C1N(Cc2ccc(Cl)cc2)CCN1CC1CCCOC1,[*]N1CCN([*])C1=O,0.31060636,False
18645,O=C1N(c2ccccc2)CCN1C1NCC2CCc3ccccc3CC1CC2,[*]N1CCN([*])C1=O,0.48727104,False
18646,CC1(C)CC2CN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC(C)(C1)C2(C)C,[*]N1CCN([*])C1=O,0.8341144,False
18647,CCCCN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.4206924,False
18648,CCCCc1ccc(C)c(OC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19077717,False
18649,CCCN(Cc1cccc(C(=O)O)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46989766,False
18650,CCCN(c1ccc(C(=O)O)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.38956764,False
18651,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC1CCCC2CC2CC1,[*]N1CCN([*])C1=O,0.6838746,False
18652,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1ccco1,[*]N1CCN([*])C1=O,0.7210915,False
18653,CN(CCc1cccs1)CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.811959,False
18654,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96316344,False
18655,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(OCCF)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47752085,False
18656,COc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3C(F)(F)F)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42711112,False
18657,COc1cccc(N2CCN(CCN3CCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.5935563,False
18658,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccn3nccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31426215,False
18659,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccnc(F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45108888,False
18660,N#Cc1cccc(N2CCN(CCN3CCc4sccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7319134,False
18661,N#Cc1cccc(N2CCN(c3ccc4c(c3)Cc3ccccc3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.49102288,False
18662,N#Cc1cccc(N2CCN(c3cccc(CC(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3777309,False
18663,O=C(NCC=CCN1CCN(c2ccc(F)nc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48737976,False
18664,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c(O)cccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7904992,False
18665,O=C1N(CC(F)(c2ccccc2)N2CCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.35065478,False
18666,O=C1N(CCN2CCCC3CCCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7357654,False
18667,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(F)c(Cl)c1Cl,[*]N1CCN([*])C1=O,0.868349,False
18668,O=C1N(Cc2ccccc2Cl)CCN1CC1CCCCN1,[*]N1CCN([*])C1=O,0.38212606,False
18669,O=C1N(c2cccnc2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.25925875,False
18670,CC(CN1CCN(c2cccc(Cl)c2)C1=O)N1c2ccccc2CC1(C)C,[*]N1CCN([*])C1=O,0.5035926,False
18671,CC(Cc1nc2ccccc2s1)CN1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.3270709,False
18672,CCCN(Cc1ccc2ccccc2c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5855853,False
18673,CCCc1cccc2c1OCC(N(CC(C)=O)c1ccc(C)s1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.26663825,False
18674,CCCc1cccc2c1OCC(N(CC)Cc1sccc1OC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.57929116,False
18675,CCCc1cccc2c1OCC(N(CCC)Cc1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.7351836,False
18676,CCN(Cc1ccoc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5002541,False
18677,CN(C)CC12CCC(CC1N1CCN(c3ccc(F)cc3Cl)C1=O)C2(C)C,[*]N1CCN([*])C1=O,0.38918638,False
18678,CN1CCc2ccsc2Cc2ccc(N3CCN(c4ccccc4)C3=O)cc21,[*]N1CCN([*])C1=O,0.2998963,False
18679,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96268725,False
18680,COc1cccc(-c2ccc(OC)c(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.58868486,False
18681,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccsc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39718542,False
18682,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2C(F)(F)F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9758151,False
18683,Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6367436,False
18684,Cc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3C)CC2)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.6170147,False
18685,Cc1cccc2cc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33612174,False
18686,Cc1nc2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3364588,False
18687,O=C(NCC=CCN1CCN(c2ccc(Br)cc2Oc2ccccc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6034223,False
18688,O=C(NCC=CCN1CCN(c2cccc(F)c2OCCF)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6838772,False
18689,O=C(NCC=CCN1CCN(c2ccccc2CF)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81819963,False
18690,O=C1N(CCN2CCC3CCCC32)CCN1Cc1ccccc1F,[*]N1CCN([*])C1=O,0.34023336,False
18691,O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.32358527,False
18692,CC1(C)C2CCCC1(CNCCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.62046826,False
18693,CC1(C)CN(CCN2CCN(c3ccc(Cl)cc3)C2=O)CC(C)(C)C1,[*]N1CCN([*])C1=O,0.65631914,False
18694,CC1CCC2(CCCCN(CCN3CCN(c4cccc(C#N)c4)C3=O)C2)C1(C)C,[*]N1CCN([*])C1=O,0.6937253,False
18695,CC1CCCCN1C(=O)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.2873119,False
18696,CCCCN(C1CCCCC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42746818,False
18697,CCCCN(C1COc2c(CC)cccc2C1)S(=O)(=O)c1ccc(C(C)(C)C)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.37340906,False
18698,CCCN(CC(=O)c1ccc[nH]1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41290042,False
18699,CCCSN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14769684,False
18700,CCc1ccc(C)c(C(=O)NCC2CCCN2S)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16104558,False
18701,COc1ccc(NN2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.23411804,False
18702,COc1cccc(N2CCN(CCN3CCC4CCc5ccccc5CC3CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.61830425,False
18703,COc1cccc(N2CCN(CCN3CCCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.9314152,False
18704,COc1cccc2cccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6411734,False
18705,Cc1ccc(C)c(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6995167,False
18706,Cc1ccc2sc(CN3CCN(c4cccc(Cl)c4Cl)C3=O)cc2n1,[*]N1CCN([*])C1=O,0.118104726,False
18707,N#Cc1cccc(N2CCN(C3CCCCN3CCc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.412181,False
18708,O=C(NCC=CCN1CCN(c2cc(Cl)co2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44837987,False
18709,O=C(NCC=CCN1CCN(c2cc(OCCF)ccc2Cl)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5880724,False
18710,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9757595,False
18711,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cccs2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.939685,False
18712,O=C1N(CC2(F)CCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.42511395,False
18713,O=C1N(CC2CCCCN2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.39754006,False
18714,CC(C)c1cccc(N2CCN(CC3NCCc4ccc(C#N)cc43)C2=O)c1,[*]N1CCN([*])C1=O,0.49428397,False
18715,CC(NCc1cc2ccccc2s1)N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.35905012,False
18716,CC1(C)Cc2ccccc2N1C(=O)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.34937346,False
18717,CC1CCc2ccc(OCCN3CCN(c4ccccc4)C3=O)cc2C1,[*]N1CCN([*])C1=O,0.56977385,False
18718,CCCCN(CC)C1COc2c(cccc2C(C)(C)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54148936,False
18719,CCCCN(CC)C1COc2c(cccc2OC(=O)c2ccc3ccccc3c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.33988565,False
18720,CCCCN(O)C1COc2c(Cc3cccs3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47294405,False
18721,CCCN(CCC)C1COc2c(cccc2-c2ccc(CNC(C)=O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.627316,False
18722,CCc1ccc(C)c(OBr)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14386116,False
18723,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1N,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89665735,False
18724,COc1cccc(N2CCN(C(C)C3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.23794787,False
18725,COc1ccccc1C(=O)NCC=CCN1CCN(C=Cc2ccc(O)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2346729,False
18726,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2N(C)C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90006846,False
18727,Cc1ccccc1-c1ccc(N2CCN(CC=CCNC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35101953,False
18728,Cc1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.70019114,False
18729,O=C(NCC=CCN1CCN(c2cc3ccc(OCCF)cc3nc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5635341,False
18730,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(Cl)c2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91056687,False
18731,O=C(NCC=CCN1CCN(c2cccc3c[nH]c(O)c23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69991654,False
18732,O=C1N(CCOCc2ccccc2)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.82172626,False
18733,O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1C1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.39010072,False
18734,CCCCN(O)C1COc2c(cccc2-c2cnco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42158094,False
18735,CCN(CC(C)C)C1COc2c(cccc2-c2ccc(C#N)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.59793526,False
18736,CCN1CCN(c2ccc3c(c2)OCO3)C1=O,[*]N1CCN([*])C1=O,0.32840797,False
18737,CCc1ccc(C)c(OCl)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7024005,False
18738,COc1c(C(=O)NCCN2CCN(c3cccc([N+]([O-])(F)F)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8005259,False
18739,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(OCF)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42737958,False
18740,COc1ccccc1N1CCN(CCN2CCCc3sccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5695178,False
18741,CS(=O)(=O)c1cccc(N2CCN(C3CCN(Cc4ccccc4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.6157304,False
18742,Cc1cccc(CN2CCN(C(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.3306436,False
18743,O=C(CCc1ccc(Cl)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71479964,False
18744,O=C(NCC=CCN1CCN(C2=C([O-])[N+](=O)C=CC=CC=C2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35316327,False
18745,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43628782,False
18746,O=C(NCC=CCN1CCN(c2ccc(OCc3ccc(O)cc3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49741235,False
18747,O=C(NCC=CCN1CCN(c2cccc(-n3ccnc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4649279,False
18748,O=C(NCC=CCN1CCN(c2ccncc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49820167,False
18749,O=C1N(CC2NCCc3ccccc32)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.53531384,False
18750,O=C1N(CCN2CCCC(C(F)(F)F)C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6601693,False
18751,O=C1N(CCN2CCCCCC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.8295203,False
18752,O=C1N(CCON2CCCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.63008696,False
18753,O=C1N(CN2CCC(C(F)(F)F)CC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.6092079,False
18754,C#Cc1ccc(C(=O)N(CCCC)C2COc3c(CC)cccc3C2)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.26072246,False
18755,C#Cc1cccc2c1OCC(N(CC)CCCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.56662196,False
18756,CC(C)Oc1cccc(N2CCN(CCN3COc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.70001096,False
18757,CC1CCCCN1CCN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.61249655,False
18758,CC1Cc2ccccc2N1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.66420525,False
18759,CCCCN(CC)C1COc2c(Cc3cccs3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5242633,False
18760,CCCN(CC(C)C)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.70581514,False
18761,CCN(CC)CCN1CCN(c2cc(F)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5357144,False
18762,CCc1ccc(C)c(C(=O)NCC2CCCN2SO)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1510425,False
18763,COc1c(Br)ccc(Br)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25450674,False
18764,COc1ccc2c(c1)NC=C(C(=O)NCC=CCN1CCN(c3ccccc3OCCF)CC1)C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8475485,False
18765,COc1cccc(N2CCN(CC=CCNC(=O)c3ccc(-c4cccc(C)n4)cc3)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6524824,False
18766,COc1ccccc1N1CCN(CC=CCNC(=O)c2[nH]ccc2-c2ccc(Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8828577,False
18767,Nc1cccc(N2CCN(CC=CCNC(=O)c3c(Cl)cccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5014165,False
18768,O=C(NCC=CCN1CCN(c2ccc(O)cc2)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4939639,False
18769,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(O)c(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93663234,False
18770,O=C1N(CC2NCCC2O)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.52989215,False
18771,O=C1N(CC2NCCc3ccc(CO)cc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.48139486,False
18772,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cc(F)ccc1Cl,[*]N1CCN([*])C1=O,0.8644961,False
18773,O=C1N(Cc2cccs2)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.35166463,False
18774,O=C1N(c2cccc(Cl)c2)CCN1C1CCCNC1Cc1ccccc1,[*]N1CCN([*])C1=O,0.5194928,False
18775,C=CCc1ccc(CC)c(C(=O)NCC2CCCN2CCCC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.429535,False
18776,CCCCN(C1COc2c(CC)cccc2C1)C(F)(F)c1ccccc1,[*]CN([*])C1COc2c([*])cccc2C1,0.39876074,False
18777,CCN(C)CCN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.5568861,False
18778,CCc1ccc(C(C)=O)c(OSC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19694045,False
18779,CN(CCN1CCN(c2ccccc2)C1=O)Cc1cc2ccccc2o1,[*]N1CCN([*])C1=O,0.5332021,False
18780,COCc1cccc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.38323238,False
18781,COc1ccc(Oc2ccccc2C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9107039,False
18782,COc1cccc(N2CCN(CC3CCC(NC(C)C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.38978428,False
18783,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c(-c3ccc(Br)cc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88429075,False
18784,COc1ccccc1N1CCN(CC=CCNC(=O)c2ncccc2[N+](=O)[O-])CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7700591,False
18785,Cc1cc(CN2CCN(Cc3ccccc3)C2=O)on1,[*]N1CCN([*])C1=O,0.20895347,False
18786,O=C(NCC=CCN1CCN(CCc2ccncc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34405583,False
18787,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NC(=O)c1cccc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9095541,False
18788,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(Br)c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8069634,False
18789,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1ccccc1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50928223,False
18790,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.81044626,False
18791,O=C1N(CCN2CC3CCCC(CC3)C2)CCN1Cc1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.5259994,False
18792,O=C1N(CCN2CCCC(c3ccccc3)C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.82343876,False
18793,O=C1N(CCN2CCCC3CCCCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.76767206,False
18794,O=C1N(CCN2CCCc3sccc3C2)CCN1c1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.64237475,False
18795,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(Cl)c(Cl)cc1F,[*]N1CCN([*])C1=O,0.8538382,False
18796,CC(C)Oc1cccc(N2CCN(CC(=O)N3c4ccccc4CC3C)C2=O)c1,[*]N1CCN([*])C1=O,0.36019132,False
18797,CC1(C)CC2CCC1CN(CCN1CCN(c3ccc(F)c(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.6730029,False
18798,CCCCN1CCCC1CNC(=O)c1c(C(C)=O)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5073822,False
18799,CCN(CC1CCCCC1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.50461257,False
18800,CCN1CCN(c2cccc(C(C)C)c2)C1=O,[*]N1CCN([*])C1=O,0.37689438,False
18801,CCc1ccc(CC)c(C(=O)NCC2CCCN2SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.26945996,False
18802,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC12CCC(CC1)CC2,[*]N1CCN([*])C1=O,0.8351816,False
18803,COCC1Cc2ccccc2C(N2CCN(c3ccc(Cl)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.44796494,False
18804,COc1ccc(Br)cc1N1CCN(CC=CCNC(=O)c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5500474,False
18805,COc1ccc2[nH]c(N3CCN(CC=CCNC(=O)c4cccc(OCCF)c4F)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36152485,False
18806,COc1cccc(C(F)(F)N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.73597866,False
18807,Cc1c(F)cccc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37876675,False
18808,Cc1ccc(N2CCN(CCN3CCCCC3(C)C)C2=O)cc1,[*]N1CCN([*])C1=O,0.4371966,False
18809,Cc1cccc(N2CCN(CCNC3CCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.5045957,False
18810,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(F)cc3)[nH]2)CC1)c1cccc(C(F)(F)F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42477635,False
18811,O=C(NCC=CCN1CCN(c2cccc(Cl)c2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7419074,False
18812,O=C1N(CCN2CCc3ccsc3C2)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.5678673,False
18813,O=C1N(Cc2ccc(F)cc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4584409,False
18814,O=C1N(c2cccc(Cl)c2)CCN1C1CNCCC12CCOc1ccccc1C2,[*]N1CCN([*])C1=O,0.33711395,False
18815,CC1CCCC23CCCC2C1CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC3,[*]N1CCN([*])C1=O,0.8360514,False
18816,CC1CCN(CCN2CCN(CC(F)(F)F)C2=O)CC1,[*]N1CCN([*])C1=O,0.6239015,False
18817,CC1Cc2ccccc2N1CCN1CCN(C2COCO2)C1=O,[*]N1CCN([*])C1=O,0.42081213,False
18818,CCCc1cccc2c1OCC(N(CO)Cc1ccc(-c3ccccc3)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.52300143,False
18819,CCN(CC(C)=O)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37049052,False
18820,CN1CCCc2ccc(N3CCN(Cc4cc5ccccc5s4)C3=O)cc21,[*]N1CCN([*])C1=O,0.3438256,False
18821,COCC1CC2(C)CN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC12,[*]N1CCN([*])C1=O,0.8546483,False
18822,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([N+]=CO)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34253561,False
18823,COc1ccc(Br)c(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.26561618,False
18824,Cc1ccc(N2CCN(CCN3CCN(C(C)C)CC3)C2=O)s1,[*]N1CCN([*])C1=O,0.72851396,False
18825,Cc1ccc(N2CCN(Cc3cccc(Cl)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.27514377,False
18826,Cc1cnccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55505586,False
18827,O=C(CCNC(=O)c1cc[nH]c1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69786114,False
18828,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1[nH]ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40330067,False
18829,O=C(NCC=CCN1CCN(c2ccc[nH]2)CC1)c1ccc(-c2ccc(F)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4208432,False
18830,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(O)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83113116,False
18831,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cn[nH]c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71860415,False
18832,O=C1N(CC2CCCCc3ccccc32)CCN1c1cccc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.64117664,False
18833,O=C1N(CCNCc2cc3ccccc3s2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.31818023,False
18834,C#CCN1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.830996,False
18835,C#Cc1cccc(C(=O)NCC(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79433495,False
18836,CC(=O)N1CCC(CN2CCN(Cc3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.127597,False
18837,CC(C)N1CCN(CN2CCN(Cc3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.39195874,False
18838,CC(C)NC1CC(CN2CCN(C3CCCOC3)C2=O)Cc2ccccc21,[*]N1CCN([*])C1=O,0.3257553,False
18839,CC(c1ccccc1)N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.21779603,False
18840,CCCCN(c1ccccc1)C1COc2c(cccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5368611,False
18841,CCCN1CCCC1CNC(=O)c1c(C)ccc(CCCCF)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.35212576,False
18842,CCOc1c(C(=O)NCCN2CCN(c3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.843812,False
18843,CCOc1c(OC)ccc(Cl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2779351,False
18844,COc1ccc(-n2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3958915,False
18845,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3Oc3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42017123,False
18846,COc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4601139,False
18847,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ncccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97527033,False
18848,N#Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46732008,False
18849,O=C(NCC=CCN1CCN(c2cc3ccccc3s2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39919978,False
18850,O=C(NCC=CCN1CCN(c2ccc(OCc3ccc(F)cc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43052554,False
18851,O=C(NCC=CCN1CCN(c2cccc(-c3cccc(O)n3)c2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47898144,False
18852,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1c[nH]c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59248877,False
18853,O=C1N(CCNC2CCc3ccsc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.46965083,False
18854,O=C1N(CCOCc2ccccn2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.44396767,False
18855,O=C1N(c2cccc(Cl)c2Cl)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.27122283,False
18856,CC(C)C1NCCCC1N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.24656412,False
18857,CC=CN(Cc1ccccc1)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5505398,False
18858,CCCCN(C1COc2c(O)cccc2C1)C1CC(=O)CC2(CCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3128235,False
18859,CCCCc1ccc(SC)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2706697,False
18860,CCCN(CCC)C1COc2c(cccc2-c2ccon2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.76956505,False
18861,CCCN(CCO)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.69667053,False
18862,CN(CCN1CCN(c2c(Cl)cccc2Cl)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.567838,False
18863,CN1CCCC(N2CCN(c3cccc(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.43062925,False
18864,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3)CC2)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35759866,False
18865,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1Oc1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93429494,False
18866,COc1ccc(Oc2ccccc2)c(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7526596,False
18867,COc1ccccc1-n1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)ccccc1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85139847,False
18868,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3)o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88489807,False
18869,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2-c2cccs2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8505341,False
18870,N#CC1OCCCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.38363034,False
18871,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(Cl)[nH]3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45550683,False
18872,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4655808,False
18873,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1c[nH]c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5324463,False
18874,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc([N+]([O-])=CO)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91310656,False
18875,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccccc1-c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45701325,False
18876,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc(-c2ccccc2)cs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7649894,False
18877,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c[nH]c2ccc(OCCF)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9006419,False
18878,O=C(NCC=CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccc(CCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6690182,False
18879,O=C1N(CC23CCCC2CNC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.56956565,False
18880,CC1Cc2ccccc2N1C(=O)CN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.35698164,False
18881,CCCCN(CCCN1C(=O)CC(C)(C)CC1=O)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5530598,False
18882,CCCN(CC1CCCCC1)C1COc2c(cccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.66560024,False
18883,CCCN(O)C1COc2c(cccc2CC(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.60658354,False
18884,CCCOC1CCc2ccc(N3CCN(Cc4cccc(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.39555478,False
18885,CCCc1cccc2c1OCC(N(CO)c1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.546651,False
18886,CCN(CC(C)C)C1COc2c(cccc2-c2ccc(-c3ccccc3)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57969666,False
18887,CN1CCC(C)(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.6063891,False
18888,CN1Cc2sccc2CCC1CN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5562748,False
18889,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2cccc(-c3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4260213,False
18890,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4477099,False
18891,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(C)cn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9263499,False
18892,Cc1ccc(N2CCN(CC3CNCc4ccccc43)C2=O)cc1,[*]N1CCN([*])C1=O,0.50838447,False
18893,Cc1cccc(N2CCN(C3CCCCCN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.27581865,False
18894,Cc1cccc2sc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8747548,False
18895,Cc1ncccc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8986929,False
18896,O=C(CN1CCN(c2ccc(F)cc2)C1=O)NCc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.06784055,False
18897,O=C(NCC=CCN1CCN(c2ccc(O)c(-c3ccccn3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50581306,False
18898,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8028286,False
18899,O=C(NCc1cccc(N2CCN(c3csc4ccccc34)C2=O)c1)c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.117305376,False
18900,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.760879,False
18901,O=C1N(c2ccc(Cl)cc2)CCN1c1ccccc1OCC1CCC2CCC(CC2)C1,[*]N1CCN([*])C1=O,0.33518517,False
18902,CCCN(C(C)C)C1COc2c(cccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.70803756,False
18903,CCCN(CCC)C1COc2c(cccc2C(=O)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6216499,False
18904,CCCN(COC)C1COc2c(CC3CCCC3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48739633,False
18905,CCCOc1c(CC)ccc(C)c1C(=O)NCC1CCCN1C=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18450822,False
18906,CCN(CC1CCCC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.534262,False
18907,CCOC1CCCc2ccc(N3CCN(c4ccccc4)C3=O)cc21,[*]N1CCN([*])C1=O,0.4398219,False
18908,CCc1ccc(C)c(OC)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21571368,False
18909,CN(C)c1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)ccc1CO,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39193502,False
18910,CN(C)c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3916877,False
18911,COc1cc2cccc(OC)c2cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5902332,False
18912,COc1ccc(-c2cc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)c[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8609559,False
18913,COc1ccc2[nH]cc(N3CCN(CC=CCNC(=O)c4ccccc4CCF)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4631603,False
18914,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(-c3ccc(Br)cc3)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3814623,False
18915,Cc1cccc(N2CCN(CC3(O)CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.2549698,False
18916,Cc1ccccc1N1CCN(CC2CCCNC2)C1=O,[*]N1CCN([*])C1=O,0.28635588,False
18917,O=C(NCC=CCN1CCN(c2c[nH]c3ccc(OCCF)cc23)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5518714,False
18918,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc[nH]2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90691066,False
18919,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)c(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8771066,False
18920,O=C(NCC=CCN1CCN(c2cscn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41489404,False
18921,O=C1N(CC(O)C2CNCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5360517,False
18922,O=C1N(CC2CCCCCN2Cc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.48832154,False
18923,O=C1N(Cc2csc3ccccc23)CCN1C1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.42026404,False
18924,O=C1N(c2ccc(F)c(Cl)c2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.2886445,False
18925,C=Cc1cccc2c1OCC(N(CCCC)OC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.606926,False
18926,CCCCN(Oc1cccc2cc(C(=O)O)ccc12)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.33524737,False
18927,CCCN(Cc1ccc(O)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.63333106,False
18928,CCN(CC)CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.57821375,False
18929,CCN(CCc1ccccc1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62196225,False
18930,CCOC1CCCc2ccc(CN3CCN(c4cccc(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.5017287,False
18931,CCc1ccc([SH](C)(=O)O)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9059329,False
18932,COc1cc(Br)ccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8094543,False
18933,COc1ccc(-c2cscc2N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6193253,False
18934,COc1ccc2ccc(N3CCN(CC=CCNC(=O)c4ccc(OCCF)cc4)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37356204,False
18935,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccc(F)cc3)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56071156,False
18936,COc1ccccc1CNC(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81950694,False
18937,COc1ccccc1N1CCN(CC=CCNC(=O)c2cnccc2-c2ccc(F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92376393,False
18938,COc1ccn2c(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37132567,False
18939,Cc1ccc(N2CCN(C(C)C)C2=O)cc1,[*]N1CCN([*])C1=O,0.121270575,False
18940,Cc1cccc(CN2CCN(c3ccc(Cl)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.319076,False
18941,Nc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76513386,False
18942,O=C1N(CC2=CCCCCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.35385337,False
18943,O=C1N(CC2CCCCCN2Cc2ccccc2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.40303603,False
18944,O=C1N(CCN2CCC(CF)CC2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.7994035,False
18945,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.8972469,False
18946,O=C1N(COCc2cccc(Cl)c2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.34741002,False
18947,O=C1N(c2ccccc2)CCN1C1CC2CCCCC(C2)C1,[*]N1CCN([*])C1=O,0.41086033,False
18948,C=CCN(CCC)C1COc2c(cccc2-c2cccc(OC)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6495667,False
18949,C=CCN(OC)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6058513,False
18950,C=Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.405507,False
18951,CC(C)(C)c1cccc(N2CCN(CC3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.49579865,False
18952,CC(C)Oc1cccc(CN2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.604674,False
18953,CC(CN1CCN(c2cccc(Cl)c2)C1=O)NC1CCCC(C)(C)C1,[*]N1CCN([*])C1=O,0.38508227,False
18954,CCCN(CC(=O)c1ccco1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37294203,False
18955,CCCN(CCC)C1COc2c(cccc2Oc2ccc(C(=O)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56091726,False
18956,CCN1CCCC1CNC(=O)c1c(OC)ccc(OSC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.882273,False
18957,CCOc1c(C)ccc(Cl)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17506815,False
18958,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccc(Cl)c(Cl)c4)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42690423,False
18959,COc1ccc(-c2ccsc2N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38243735,False
18960,COc1cccc(C(=O)NCC=CCN2CCN(c3cc(C)ccc3C)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49241495,False
18961,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41597268,False
18962,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccnc(-c3cccc(Cl)c3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84493065,False
18963,Cc1nc2c(N3CCN(c4cc(Cl)cc(Cl)c4)C3=O)c(Cl)ccc2s1,[*]N1CCN([*])C1=O,0.12275477,False
18964,O=C(NCC=CCN1CCN(CCc2ccccc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37000367,False
18965,O=C(NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2)CC1)c1ccccc1Oc1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4439931,False
18966,O=C1N(CCN2CCCOCC2)CCN1Cc1ccc(F)cc1,[*]N1CCN([*])C1=O,0.36877546,False
18967,O=C1N(Cc2cccc(Cl)c2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.39068758,False
18968,O=C1N(c2ccccc2)CCN1C1CC2CCC(C1)N2Cc1ccccc1,[*]N1CCN([*])C1=O,0.40594658,False
18969,O=C1N(c2ccccc2)CCN1C1CCc2ccsc2CC1,[*]N1CCN([*])C1=O,0.4041013,False
18970,CC12CCC(CC1)CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.8904022,False
18971,CCCN1Cc2ccccc2C1CN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.6851173,False
18972,CCN1CCCC1CNC(=O)c1c(S(C)(=O)=O)ccc(Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8010114,False
18973,CCN1CCN(CCN2CCCCC2C)C1=O,[*]N1CCN([*])C1=O,0.4009891,False
18974,CCc1ccc([O-])c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8011437,False
18975,CN(C)c1ccc(N2CCN(CC=CCNC(=O)c3ccc(OCCF)cn3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3391579,False
18976,COCC1C(CN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)CCC2CCC21,[*]N1CCN([*])C1=O,0.74658906,False
18977,COCC1CCCCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7650188,False
18978,COc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7167168,False
18979,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(Cl)ccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.57083195,False
18980,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccnc([N+](=O)[O-])c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7892664,False
18981,Cc1ccc(OCCF)c(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5246429,False
18982,Cc1ccc2c(c1)CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.78977543,False
18983,O=C(NCC=CCN1CCN(c2[nH]c(O)cc2-c2ccc(F)cc2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.353231,False
18984,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4850771,False
18985,O=C(NCC=CCN1CCN(c2c[nH]c(-c3ccc(O)cc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5293758,False
18986,O=C(NCC=CCN1CCN(c2ccccc2C(F)(F)F)CC1)c1c[nH]c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7266001,False
18987,O=C(NCC=CCN1CCN(c2ccsc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44797352,False
18988,O=C1N(CC(F)NCc2cccc(Cl)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.31628215,False
18989,O=C1N(CCCN2CCCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.82966137,False
18990,O=C1N(CCN2CCC3(CCc4cc(F)ccc4C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.72706157,False
18991,O=C1N(CCN2CCC3=CC=CC=C(C2)S3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6662806,False
18992,CC(C)N1CCc2cc(N3CCN(c4cccc(Cl)c4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.35201707,False
18993,CCCCN(C(=O)c1ccn(CCCC)n1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.36797526,False
18994,CCCN(CC1CCCC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6463929,False
18995,CCCN(CCC)C1COc2c(cccc2-c2ccc(C#N)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8720058,False
18996,CCCOc1c(OC)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.29800227,False
18997,CCOc1c(Br)ccc(Br)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2654246,False
18998,CCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18710977,False
18999,CCc1ccc(C)c(OOS)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18586095,False
19000,CN1CCN(CCN2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.6894191,False
19001,CN1Cc2ccccc2C(CN2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.56489974,False
19002,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(C)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68415815,False
19003,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6543467,False
19004,COc1ccc(C)c(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.850472,False
19005,COc1ccc(OC)c(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46844843,False
19006,N#Cc1cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)ccc1Cl,[*]N1CCN([*])C1=O,0.9160598,False
19007,Nc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78835344,False
19008,O=C(NCC=CCN1CCN(c2cc(Cl)ccc2OCCF)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.57985497,False
19009,O=C(NCC=CCN1CCN(c2cccc3c2-c2ccccc2CC3=O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5484111,False
19010,O=C(NCC=CCN1CCN(c2cccc3c2COC3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67254484,False
19011,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1c[nH]c2ccc(OCCF)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7385964,False
19012,O=C1N(CCN2CCCC3Cc4ccccc4CC2C3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5166889,False
19013,O=C1N(CCNCc2cccs2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.2699632,False
19014,O=C1N(c2cccc(Cl)c2)CCN1C1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.4177287,False
19015,CC1(C)CCC(CN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)NC1,[*]N1CCN([*])C1=O,0.39075267,False
19016,CCN1CCCC1CNC(=O)c1c(CCCl)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9346157,False
19017,CCN1CCCN(CCN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7052718,False
19018,CN1CCCCC1CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.45973313,False
19019,COCc1cccc(N2CCN(CCN3CCN(C(C)C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.84678644,False
19020,COc1c(C(=O)NCCN2CCN(C3=C(C)[N+]C=CC=C3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.78423315,False
19021,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cc3cc(OCCF)ccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67114,False
19022,COc1cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c(OC)cc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56703466,False
19023,COc1cccc2cccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5802507,False
19024,Cc1ccnc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85882276,False
19025,N#Cc1ccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.89030564,False
19026,O=C(NCC=CCN1CCN(c2cc(OCCF)ccc2F)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.58521754,False
19027,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cc(O)ccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8694256,False
19028,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1-c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91195285,False
19029,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(-c2ncc[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7688261,False
19030,O=C1N(CC2CCCCC2O)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.52028996,False
19031,O=C1N(CC2CCCCN2)CCN1c1ccc(-c2ccccc2)cc1,[*]N1CCN([*])C1=O,0.5421782,False
19032,O=C1N(CCN2CC3CCCC2Cc2ccccc2C3)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.46573597,False
19033,O=C1N(CCN2CC3CCCCCCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6228093,False
19034,O=C1N(CCN2Cc3ccccc3C2)CCN1c1snc2ccccc12,[*]N1CCN([*])C1=O,0.8032673,False
19035,O=C1N(CN2CCCCC2c2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.41404986,False
19036,C=Cc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76113534,False
19037,CC12CCc3ccccc3CC(CC1)CN2CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.39963016,False
19038,CC1c2ccccc2CN1CCN1CCN(c2csc3ccccc23)C1=O,[*]N1CCN([*])C1=O,0.62360233,False
19039,CC=Cc1cccc2c1OCC(N(CCC)Cc1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.7430769,False
19040,CCCc1cccc2c1OCC(N(CC)CC(=O)c1cc(C)co1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.25327367,False
19041,CCOc1c(CC)ccc(S)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27251148,False
19042,CCc1ccc(C)c(OS)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1537556,False
19043,CN(CCN1CCN(c2ccccc2)C1=O)CC1CCCC2CCC21,[*]N1CCN([*])C1=O,0.63763076,False
19044,CNc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6532947,False
19045,COCC1CCCN1N1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.30396932,False
19046,COc1ccc2oc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4OCCF)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35989547,False
19047,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8133525,False
19048,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(OC)c(OC)c(OC)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42287427,False
19049,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc3c(=O)[nH]c4ccccc4c23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.62130785,False
19050,COc1ccccc1C1CCCN(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.56907016,False
19051,Cc1ccc(CN2CCN(CCN3CCN(c4cc(Cl)cc(Cl)c4)C3=O)CC2)s1,[*]N1CCN([*])C1=O,0.58876157,False
19052,Cc1ccnc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3582299,False
19053,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)OCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5462566,False
19054,O=C1N(CCN2CC3COCC2CCc2ccccc2C3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.42021555,False
19055,O=C1N(CCN2CCCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.8190092,False
19056,O=C1N(CCN2CCCc3ccsc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.75298136,False
19057,O=C1N(c2cccnc2)CCN1C1COCN1,[*]N1CCN([*])C1=O,0.21621516,False
19058,C#Cc1cccc2c(CN3CCN(c4cccc(Cl)c4)C3=O)cccc12,[*]N1CCN([*])C1=O,0.45679158,False
19059,CC1(C)C2CCC1(CNCN1CCN(Cc3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.29676962,False
19060,CCC1c2ccccc2CC2CCC1CN2CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5775157,False
19061,CCCCN(C(=O)c1ccc(OC)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.253399,False
19062,CCCN(CO)C1COc2c(Cc3ccc(OC)cc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5281172,False
19063,CCN(CC(C)C)C1COc2c(cccc2-c2ccccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45497718,False
19064,CCNCCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.59376216,False
19065,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c(C)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53287977,False
19066,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc2C)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7696615,False
19067,Cc1ccc(N2CCN(CN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.52357787,False
19068,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(F)cc3)nc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41458255,False
19069,O=C(NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2-c2ccccc2-3)CC1)c1c(O)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4745641,False
19070,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Br)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84433573,False
19071,O=C(NCC=CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3332474,False
19072,O=C(NCN1CCN(CCN2CCCCCC2)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.32128447,False
19073,O=C1N(C=CCN2Cc3ccccc3C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.43091935,False
19074,O=C1N(CC2CCCCNC2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.4055963,False
19075,O=C1N(CC2CCCc3ccccc3C2O)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5298991,False
19076,O=C1N(CCN2CCCCc3ccccc3C2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.7338172,False
19077,O=C1N(CCN2CCc3ccccc3C2O)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.59557074,False
19078,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cncc(Cl)c1,[*]N1CCN([*])C1=O,0.7533803,False
19079,O=C1N(CCN2Cc3ccccc3CC3CCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.75862163,False
19080,O=C1N(CNCc2ccnc3ccccc23)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.24855103,False
19081,O=C1N(c2ccccc2)CCN1C1CCCC(c2ccccc2)C1,[*]N1CCN([*])C1=O,0.29368111,False
19082,CC(=O)c1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8215518,False
19083,CCCN(CCC)C1COc2c(cccc2C(=O)c2ccc3ccccc3c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5746891,False
19084,CCCN(Cc1ccc(C(C)=O)s1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47319752,False
19085,CCCc1cccc2c1OCC(N(CC(=O)[O-])c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.25768402,False
19086,CCN(CCN1CCN(c2ccc(Cl)c(Cl)c2)C1=O)Cc1ccccc1,[*]N1CCN([*])C1=O,0.55182177,False
19087,CCN1CCCC1CNC(=O)c1c(C)ccc(CCS)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.69518906,False
19088,CCOc1c(CC)ccc(CCCCl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25607932,False
19089,CCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OCOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7236493,False
19090,CN(CN1CCN(c2cccc(Cl)c2)C1=O)CC12CCC(CC1)CN2Cc1ccccc1,[*]N1CCN([*])C1=O,0.5650973,False
19091,CN(Cc1cc2ccccc2s1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.45188302,False
19092,COc1c(C(=O)NCCN2CCN(c3cccc(CO)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8309379,False
19093,COc1cc(OC)c(OC)c(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.58079344,False
19094,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc([N+](=O)F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4229787,False
19095,Cc1cc(CN2CCN(c3cccc(C(F)(F)F)c3)C2=O)on1,[*]N1CCN([*])C1=O,0.25670126,False
19096,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3)CC2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63043,False
19097,O=C(CCN1CCN(c2cccc(Cl)c2)C1=O)c1nc2ccccc2s1,[*]N1CCN([*])C1=O,0.43378738,False
19098,O=C(NCC=CCN1CCN(c2cc3ccccc3s2)CC1)c1cccc(Cl)c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44323185,False
19099,O=C(NCCN1CCN(CO)CC1)c1cc(Br)c2ccccc2c1-c1ccccc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37925854,False
19100,O=C1N(CCN2CCc3cccc(Cl)c3C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.73508716,False
19101,O=C1N(Cc2cc(CN3CCCCCC3)co2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.46588078,False
19102,C=CCOc1c(CCC)ccc(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2607962,False
19103,CC(=O)OC1CCc2ccc(N3CCN(c4ccc5sccc5c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.21837215,False
19104,CCCCN(O)C1COc2c(cccc2-c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5283397,False
19105,CCN(Cc1ccsc1)C1COc2c(CC(C)C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56419283,False
19106,CCOc1ccc(Cl)cc1CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.6817023,False
19107,COc1ccc2cc(O)cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54833645,False
19108,COc1ccccc1N1CCN(CC=CCNC(=O)c2cnc3ccc(O)cc3n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8578585,False
19109,Cn1c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91641295,False
19110,N#Cc1cccc(N2CCN(c3ccc4c(c3)CCCCCC4)C2=O)c1,[*]N1CCN([*])C1=O,0.39201376,False
19111,O=C(NCC=CCN1CCN(c2cc3c(s2)C=CC=CC3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4287546,False
19112,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64756536,False
19113,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94921523,False
19114,O=C(NCC=CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3845245,False
19115,O=C1N(CC2CCC(C(F)(F)F)CN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.64850885,False
19116,O=C1N(CC2COCCCN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.49070266,False
19117,O=C1N(CCN2CCCC(c3cccc(C(F)(F)F)c3)CC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.74617064,False
19118,O=C1N(CCN2c3ccccc3CC3CCCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.68370914,False
19119,O=C1N(CCOCc2ccc3sccc3c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5744066,False
19120,O=C1N(c2cccc(Cl)c2)CCN1C1COCCC1c1ccccc1,[*]N1CCN([*])C1=O,0.50356996,False
19121,CC1CCCCC1CN1CCN(c2ncco2)C1=O,[*]N1CCN([*])C1=O,0.22382744,False
19122,CCCCN(CC)C1COc2c(cccc2-c2ccc(C(F)(F)C(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5051214,False
19123,CCN1CCCC1CNC(=O)c1c(C)ccc(O)c1OCCCCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6634158,False
19124,CN1CCCCC(N2CCN(c3cccc(C(F)(F)F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.384245,False
19125,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ncccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7342067,False
19126,COc1cc(Br)cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5408669,False
19127,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(-c4ccc(F)cc4)[nH]3)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38178584,False
19128,COc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3Cl)CC2)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8627035,False
19129,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccccc3)ccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56617785,False
19130,COc1ccccc1N1CCN(CC=CCNC(=O)N2OCc3ccccc3C2=O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66213167,False
19131,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccnc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8730109,False
19132,Cc1cccc(C2CCCCC2N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.31794003,False
19133,O=C(N=Cc1ccncc1)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73859996,False
19134,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5231695,False
19135,O=C(NCC=CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3094676,False
19136,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5430478,False
19137,O=C(NCC=CCN1CCN(c2ccnc(-c3ccc(F)cc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49987674,False
19138,O=C(NCC=CCN1CCN(c2ccncn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4307392,False
19139,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.76666075,False
19140,O=C1N(CCN2CC3CCCC2Cc2ccccc2C3)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.56011385,False
19141,O=C1N(CCOCC2CCCN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.71314657,False
19142,O=C1N(Cc2cccc3ccccc23)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.31222683,False
19143,CC1CCC(NCCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6991915,False
19144,CCCCCN(CC)C1COc2c(cccc2C(=O)c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4239925,False
19145,CCCCN(CCC)C1COc2c(cccc2-c2cc(C(F)(F)F)cs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71051216,False
19146,CCc1ccc(CO)c(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23641363,False
19147,COC(=O)C1CCCN(CCN2CCN(c3cccc(C(F)(F)F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.51554483,False
19148,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2Cc2ccc(Cl)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4633777,False
19149,COc1c(C(=O)NCCN2CCN(c3ccc(C)[nH]3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7995795,False
19150,COc1cc2cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)[nH]c2cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9008929,False
19151,COc1ccc(Oc2ccc(N3CCN(CC=CCNC(=O)c4cccc(OCCF)c4)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3718701,False
19152,COc1ccc(Oc2cccc(N3CCN(CCNC(=O)c4cc(Br)c5ccccc5c4OC)CC3)c2)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8139151,False
19153,COc1ccc2[nH]c(N3CCN(CC=CCNC(=O)c4ccccc4C(F)(F)F)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37026346,False
19154,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(Cl)c(Cl)cc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5849743,False
19155,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccc(Cl)c(Cl)c4)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37187162,False
19156,N#Cc1cc(N2CCN(c3cccc(CN4CCCC4)c3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.43405658,False
19157,N#Cc1cccc(CN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.49128637,False
19158,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1cc(Br)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47954667,False
19159,O=C(NCC=CCN1CCN(c2ccc(OCCF)c(Oc3ccccc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42162123,False
19160,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1C(=O)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8733294,False
19161,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(C(F)(F)F)cs1,[*]N1CCN([*])C1=O,0.87080663,False
19162,O=C1N(CN2CCCC2COC2CCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5941718,False
19163,CCCCC1CN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC2CC1(C)C2,[*]N1CCN([*])C1=O,0.60223794,False
19164,CCCCOc1c(Br)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27877188,False
19165,CCCN(C(C)=O)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49761054,False
19166,CCCN(CO)C1COc2c(cccc2C2CCC(C)CC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6228701,False
19167,CCCc1cccc2c1OCC(N(CC)Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5360257,False
19168,CCCc1cccc2c1OCC(N(CC)Cc1ccccc1OC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5751128,False
19169,CCN1CCCC1CNC(=O)c1c(C)ccc(OC)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.80157804,False
19170,CCOc1c(CC)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18097267,False
19171,CCOc1c(O)ccc(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8753183,False
19172,CCn1ccc(N2CCN(CNC(C)c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.17419055,False
19173,CN(CCN1CCN(c2ccc3sccc3c2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.53202593,False
19174,CN1CCCN(CCN2CCN(Cc3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.66003966,False
19175,COc1ccc(F)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9490555,False
19176,COc1cccc(C(=O)NCC=CCN2CCN(c3cc4ccccc4[nH]3)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38544363,False
19177,Cc1ccc(C)c(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3755297,False
19178,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63752574,False
19179,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1cccc(F)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5204412,False
19180,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2ccnn12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8183482,False
19181,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.65628767,False
19182,O=C1N(CC2CCCCN2)CCN1C(F)(F)F,[*]N1CCN([*])C1=O,0.43216932,False
19183,O=C1N(CCN2CCCCC(C(F)(F)F)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8484156,False
19184,CC(C)c1cccc(N2CCN(CCN3C4CCCC3CCC4)C2=O)c1,[*]N1CCN([*])C1=O,0.60111845,False
19185,CC(C)c1ccccc1CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8261276,False
19186,CC(CN1CCN(CCN2CCc3ccccc3C2)C1=O)c1ccccc1,[*]N1CCN([*])C1=O,0.48996902,False
19187,CC(c1ccccc1)N1CCN(Cc2cc3ccccc3s2)C1=O,[*]N1CCN([*])C1=O,0.31335613,False
19188,CC1(C)CC2CNCCC(CN3CCN(c4cccc(Cl)c4)C3=O)C2C1,[*]N1CCN([*])C1=O,0.6007809,False
19189,CCCc1ccc(OC)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.30045182,False
19190,CCCc1cccc2c1OCC(N(CC)COCc1cccc(OC)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5565488,False
19191,CCCc1cccc2c1OCC(N(CC)Cc1ccc(C(F)(F)F)cn1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4937702,False
19192,CCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1C=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15244575,False
19193,CCc1ccc(SC)c(OBr)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21151306,False
19194,COc1ccc(Cl)cc1C(=O)NCC=CCN1CCN(c2ccc(-c3cccc(O)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41726243,False
19195,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(Br)cc3)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9226372,False
19196,O=C(NCC=CCN1CCN(c2cc(-c3ccccc3)[nH]n2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43435916,False
19197,O=C(NCC=CCN1CCN(c2ccc(Cl)[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45247936,False
19198,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Cl)c(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9606696,False
19199,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1-c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9241036,False
19200,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1-c1ccncc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8982553,False
19201,O=C1N(CC2(c3ccsc3)CCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.45752752,False
19202,O=C1N(CC2CCNCC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.50287646,False
19203,O=C1N(CCN2Cc3ccccc3C2)CCN1CC(F)(F)c1ccccc1,[*]N1CCN([*])C1=O,0.8403732,False
19204,O=C1N(CCNCC2=CC=C[S+](=O)c3ccccc32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.36388427,False
19205,O=Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3F)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33744156,False
19206,CC1(CN2CCN(Cc3ccccc3)C2=O)Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.4914614,False
19207,CCCCN(O)C1COc2c(cccc2CC(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52014244,False
19208,CCCCN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.40810812,False
19209,CN(CCN1CCN(c2cccc(F)c2)C1=O)Cc1cccs1,[*]N1CCN([*])C1=O,0.6411825,False
19210,CN1CCCOC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6443457,False
19211,COc1c(C(=O)NCCN2CCN(c3cccc(O)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.88849545,False
19212,Cc1cccc(-c2ccccc2C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8674022,False
19213,O=C(NCC=CCN1CCN(NCc2ccc(F)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.23051527,False
19214,O=C(NCC=CCN1CCN(c2cc3ccccc3s2)CC1)c1cccc(Cl)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50201637,False
19215,O=C(NCC=CCN1CCN(c2ccc(CCF)cn2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43061844,False
19216,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1)c1ccc[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5726122,False
19217,O=C(NCC=CCN1CCN(c2ccc3c(O)cccc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43784586,False
19218,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(O)cn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8463377,False
19219,O=C(NCC=CCN1CCN(c2cccc(Oc3ccccn3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47976255,False
19220,O=C1N(CCN2CCCC(C(F)(F)F)CC2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.7606188,False
19221,O=C1N(CCN2Cc3ccc(cc3)C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6317972,False
19222,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)Cc1ccccc1-2,[*]N1CCN([*])C1=O,0.8709424,False
19223,O=C1N(CCOc2cccc(Cl)c2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.48274216,False
19224,O=C1N(CCc2cccc(Cl)c2)CCN1CCN1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.67386085,False
19225,O=C1N(CN2CC3CCCC2CC3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.46724918,False
19226,O=C1N(c2csc3ccccc23)CCN1C1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.2818426,False
19227,CC1(C)CCCN(Cc2cccc(N3CCN(c4ccc(Cl)cc4)C3=O)c2)C1,[*]N1CCN([*])C1=O,0.39069846,False
19228,CC1(C)CCNC(CN2CCN(c3cccc(F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.55815285,False
19229,CC1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CN1,[*]N1CCN([*])C1=O,0.9042914,False
19230,CCCCN(CC)C1COc2c(cccc2Oc2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.61651534,False
19231,CCCN(CC(=O)OC)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42023507,False
19232,CCCN(CC(C)(F)c1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.63384044,False
19233,CCN1CCCC1CNC(=O)c1c(C)ccc(S(N)(=O)=O)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7094576,False
19234,CNc1cccc(CN2CCN(CC3CCCCN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.35674313,False
19235,COCC1CC2CCN(CN3CCN(c4cccc(Cl)c4)C3=O)CC1C2,[*]N1CCN([*])C1=O,0.61438465,False
19236,COc1cc(Br)cc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40802914,False
19237,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93553764,False
19238,COc1ccccc1-c1ccsc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7587201,False
19239,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(OC)c2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7140395,False
19240,Cc1ccnc(N2CCN(CC3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.33918884,False
19241,O=C(NCC=CCN1CCN(C(=O)c2ccc(F)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.19262569,False
19242,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnn(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8119364,False
19243,O=C(NCC=CCN1CCN(c2cccc3nccnc23)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6617645,False
19244,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2cc(OCCF)ccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9295085,False
19245,O=C1N(CCN2CCCCCC2)CCN1c1cccc(C(F)(F)F)c1Cl,[*]N1CCN([*])C1=O,0.72980076,False
19246,O=C1N(c2cccc(Cl)c2F)CCN1C(F)(F)C1CCNCC1,[*]N1CCN([*])C1=O,0.21485104,False
19247,O=C1N(c2cccs2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.19240716,False
19248,CC(CN1CCN(c2ccccc2)C1=O)N1CCCCC1O,[*]N1CCN([*])C1=O,0.21305093,False
19249,CC1(C)C2CCCCCC1N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.73139715,False
19250,CC12CCCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1CC2,[*]N1CCN([*])C1=O,0.7398676,False
19251,CC1CCCN(Cc2cccc(N3CCN(c4cccc(Cl)c4)C3=O)c2)C1,[*]N1CCN([*])C1=O,0.5527974,False
19252,CCCN(CCC)C1COc2c(cccc2Oc2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7532636,False
19253,CCCN(CS(=O)(=O)c1ccc(C(C)C)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42306146,False
19254,CCOc1c(CC)ccc(Cl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27130094,False
19255,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2ccncc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4689699,False
19256,COc1cccc(N2CCN(CCN3Cc4cscc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.82588655,False
19257,COc1ccccc1-c1c[nH]cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81193537,False
19258,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3cccc(OC)c3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37171254,False
19259,Cc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87261087,False
19260,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NC(=O)c1ccc([N+](=O)[O-])cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86291903,False
19261,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(Br)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.925354,False
19262,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.98604757,True
19263,O=C1N(CC2CCCCC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.5133111,False
19264,O=C1N(CCN2CC3CCc4ccccc4CC2CC3)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.60574514,False
19265,O=C1N(CCN2CCCCOC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7364953,False
19266,O=C1N(CCc2cccc(Cl)c2)CCN1CC1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.59943014,False
19267,O=C1N(CCn2ccc3ccccc32)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.4697406,False
19268,O=C1N(c2cccc(Cl)c2)CCN1C1COc2sccc21,[*]N1CCN([*])C1=O,0.37398544,False
19269,C#CC1NCCCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.40879437,False
19270,CC(=O)n1ccc2cc(N3CCN(CCN4Cc5ccccc5C4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.7335623,True
19271,CCCCC1C2CC2CN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6890811,False
19272,CCCc1ccc(CC)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.75615335,False
19273,CCCc1cccc2c1OCC(N(CC)C(=O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.27593884,False
19274,CCOc1c([N+](=O)[O-])ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14380096,False
19275,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2[N+](=O)c2ccsc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.36766997,False
19276,COc1c(C(=O)NCCN2CCN(c3cc(O)ccc3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8284379,False
19277,COc1ccccc1N1CCN(CC=CCNC(=O)CCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7546191,False
19278,Cc1ccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)s1,[*]N1CCN([*])C1=O,0.7513547,False
19279,Cc1cccc(N2CCN(CC3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.4570009,False
19280,Cc1cccc2sc(N3CCN(c4cccc(Cl)c4)C3=O)cc12,[*]N1CCN([*])C1=O,0.26053828,False
19281,Cc1ncsc1CNCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.16003995,False
19282,O=C(NCC=CCN1CCN(CCOc2cccc(F)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.405757,False
19283,O=C(NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2)CC1)c1cccc(Cl)c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48009712,False
19284,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1sccc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4731518,False
19285,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)NC(=O)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8945075,False
19286,O=C(NCC=CCN1CCN(c2csc(-c3ccccn3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4345728,False
19287,O=C(NCc1ccccn1)N1CCN(c2ccccn2)C1=O,[*]N1CCN([*])C1=O,0.08378424,False
19288,O=C1N(CC2CCNCc3ccccc32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5210128,False
19289,O=C1N(CCN2CCNCC2)CCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.53376424,False
19290,CC1(C)CCC2CC1(CNCCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.66791844,False
19291,CCCCN(O)C1COc2c(Cc3ccc4[nH]ccc4c3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40140617,False
19292,CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7118518,False
19293,CN(C)CC12CCC(CC(N3CCN(c4cccc(Cl)c4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.54763144,False
19294,CN(CCN1CCN(c2ccc(F)cc2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.7607265,False
19295,CNc1cccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.7017425,False
19296,COc1c(C(=O)NCCN2CCN(c3cccc(O)c3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8868869,False
19297,COc1cc(CCN2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36547112,False
19298,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c2ccccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.545161,False
19299,COc1ccc2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9632161,False
19300,Cc1ccc([N+](=O)[O-])cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86775917,False
19301,O=C(CCN1CCN(c2ccc(Cl)cc2)C1=O)c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.3705537,False
19302,O=C(NCC=CCN1CCN(c2c[nH]c(-c3ccc(Cl)cc3)c2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49955216,False
19303,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c2ncccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81770283,False
19304,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccc(Br)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44726664,False
19305,O=C1N(CC2CCOC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.3816692,False
19306,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.78063774,False
19307,O=C1N(Cc2cc3ccccc3s2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.43241063,False
19308,O=C1N(c2cc3ccccc3o2)CCN1C(F)(F)F,[*]N1CCN([*])C1=O,0.23430845,False
19309,C=S(=O)(O)c1ccc(C)c(OCC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.13672858,False
19310,CC1CCN(C)c2sc(CCN3CCN(c4cccc(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.68296003,False
19311,CCCCN(Oc1cccs1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5453734,False
19312,CCN1CCCC1CNC(=O)c1c(C)ccc(SC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.689215,False
19313,CCc1ccc(C)c(C(=O)NCC2CCCN2O)c1OCCCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19006878,False
19314,CCc1cccc2c1OCC(N(CO)C1CCCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.36578584,False
19315,COc1c(C(=O)NCCN2CCN(c3ccc4ccccc4c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.88182634,False
19316,COc1cccc2c1C=CC=Cc1ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30101216,False
19317,Cc1ccc(N2CCN(CCN3CCN(C(C)C)CC3)C2=O)cn1,[*]N1CCN([*])C1=O,0.7490892,False
19318,Cc1ccc(OCCF)c(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9273793,False
19319,Cc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78615475,False
19320,N#Cc1ccc2ccc(N3CCN(Cc4ccc(Cl)cc4)C3=O)cc2c1,[*]N1CCN([*])C1=O,0.30220994,False
19321,O=C(NCC=CCN1CCN(c2cc(-c3ccccc3)ccc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52403903,False
19322,O=C(NCC=CCN1CCN(c2ccc3ccc(O)nc3c2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48123425,False
19323,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c[nH]c2cccc(OCCF)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9276161,False
19324,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc2c(c1)Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8820581,False
19325,O=C(NCC=CCN1CCN(c2cnccc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64784956,False
19326,O=C(NCC=CCN1CCN(c2coc(O)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.366604,False
19327,O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1CC1CCCCN1,[*]N1CCN([*])C1=O,0.4992141,False
19328,O=C1N(c2cc(F)cc(Cl)c2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.26168787,False
19329,CC(CN1CCN(c2cc(F)cc(Cl)c2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.39354777,False
19330,CCCCN(c1ccccc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.44568095,False
19331,CCCc1cccc2c1OCC(N(CC)CS(C)(=O)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.45976058,False
19332,CCOc1c(CO)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16569994,False
19333,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)C1CCCC2CC2CC1,[*]N1CCN([*])C1=O,0.7552977,False
19334,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC1CCC2CC(C1)C2(C)C,[*]N1CCN([*])C1=O,0.72247386,False
19335,CN(CCN1CCN(c2cccc(Cl)c2F)C1=O)Cc1ccccc1,[*]N1CCN([*])C1=O,0.5543056,False
19336,CN1CC2CCC(Cc3ccccc31)N(CN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.51416457,False
19337,COc1c(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc(Br)c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5688827,False
19338,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4cccc(OCCF)c4)CC3)[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3512141,False
19339,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(C)s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36106518,False
19340,O=C(NCC=CCN1CCN(c2cc(CCF)ccn2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46814364,False
19341,O=C(NCC=CCN1CCN(c2ccc(-c3ccnc(F)c3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5422955,False
19342,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccc(Cl)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48913753,False
19343,O=C1N(CC2CCC3CNC3C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.42769122,False
19344,O=C1N(CCN2CCCc3ccsc3CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.6551507,False
19345,O=C1N(CCON2CCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5903765,False
19346,O=C1N(CN2CCC3(CCCCC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6156555,False
19347,O=C1N(Cc2cccs2)CCN1C1Cc2ccccc2N1,[*]N1CCN([*])C1=O,0.5136307,False
19348,O=C1N(c2cccc(C(F)(F)F)c2)CCN1C1CC2CCC(C1)N2Cc1ccccc1,[*]N1CCN([*])C1=O,0.41129953,False
19349,CC(C)NC1CCC(CN2CCN(c3ccc(F)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.32515386,False
19350,CC(C)Oc1cccc(CN2CCN(c3cccc(C#N)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.31660318,False
19351,CC(C)Oc1cccc(N2CCN(CCN3CCN(C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.74757385,False
19352,CC1(C)C2CCC1(CNCCN1CCN(c3ccccc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.51414424,False
19353,CC1(C)CCC2Cc3ccccc3CC(C1)N2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.74138093,False
19354,COc1cc2ccc(O)nc2cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5499475,False
19355,COc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3SC)CC2)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.80199283,False
19356,COc1ccc2c(c1)C1=CC=CC(Cl)=C2C(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)=CN1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4178287,False
19357,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4F)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5938724,False
19358,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Br)cc(OCCF)c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9770918,False
19359,Cc1cc(N2CCN(CC3CCCCN3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.47408277,False
19360,Cc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Cl)c(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6865682,False
19361,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4539624,False
19362,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5136764,False
19363,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc2nc[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70607144,False
19364,O=C(NCC=CCN1CCN(c2cccs2)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5393237,False
19365,O=C1N(CCN2CCCCC(c3ccccc3)C2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.65567636,False
19366,O=C1N(CCN2CCCCCCC2)CCN1c1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.8310059,False
19367,O=C1N(CCN2Cc3ccccc3C(O)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.76634693,False
19368,O=C1N(CNCc2nsc3ccccc23)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3610579,False
19369,O=C1N(Cc2ccc(Cl)cc2)CCN1C1COCCN1,[*]N1CCN([*])C1=O,0.2940604,False
19370,CC(C)N1CCC(CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.603184,False
19371,CC(C)N1CCN(CCN2CCN(c3ccc(Cl)cc3)C2=O)c2ccccc2C1,[*]N1CCN([*])C1=O,0.55597985,False
19372,CCCCCOc1c(Cl)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.30304638,False
19373,CCCCc1ccc(OC)c(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.3059351,False
19374,CCCN(C(C)C)C1COc2c(cccc2C(=O)c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.35801125,False
19375,CCCc1cccc2c1OCC(N(CO)CC1CCCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.47106275,False
19376,CCN(CO)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4901036,False
19377,CCN(Cc1ccccc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5908901,False
19378,CCOc1c(CC)ccc(C)c1C(=O)NCC1CCCN1SCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16597193,False
19379,CCOc1c(OC)ccc(CCCSC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24984276,False
19380,CCc1ccc(Cl)c(C(=O)NCC2CCCN2O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22983801,False
19381,CCc1cccc2c1OCC(N(CC(=O)c1ccoc1)CC(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.289768,False
19382,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)oc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9242658,False
19383,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42498413,False
19384,N#Cc1cccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.77339965,False
19385,O=C(CNc1ccccn1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7796553,False
19386,O=C(NCC=CCN1CCN(c2cc3cc(O)ccc3[nH]2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3987916,False
19387,O=C(NCC=CCN1CCN(c2cc3ccccc3[nH]2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47228006,False
19388,O=C(NCC=CCN1CCN(c2ccc3c[nH]cc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5009844,False
19389,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cc(F)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94900614,False
19390,O=C1N(CCN2CCC3CCC2Cc2ccccc2NC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7878354,False
19391,O=C1N(CCNCC2CCCCC2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.3409798,False
19392,O=C1N(CNCc2cccc(Cl)c2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.24390432,False
19393,O=C1N(Cc2cc3ccccc3[nH]2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.39430425,False
19394,CC(CCN1CCN(c2cccc(Cl)c2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.76321685,False
19395,CC(NCCN1CCN(c2cccc(Cl)c2)C1=O)c1cccc(C#N)c1,[*]N1CCN([*])C1=O,0.5720937,False
19396,CCCCN(CC)C1COc2c(CCCN3C(=O)c4ccccc4C3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.33993742,False
19397,CCN1CCCC1CNC(=O)c1c(Cl)ccc(Cl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.90478235,False
19398,COC(CN1CCN(c2ccccc2)C1=O)C1CC2CCC(CC2)C1,[*]N1CCN([*])C1=O,0.32272997,False
19399,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([N+]([O-])=[N+]=O)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.32371104,False
19400,COc1c(C(=O)NCCN2CCN(c3cccc(C)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.888218,True
19401,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)c(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63088393,False
19402,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OCCF)cc2N)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53988993,False
19403,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3nc(CF)c[nH]3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8588451,False
19404,COc1csc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39445236,False
19405,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44834465,False
19406,O=C(NCC=CCN1CCN(c2cc3ccccc3[nH]2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45521364,False
19407,O=C(NCC=CCN1CCN(c2ccc3cccc(O)c3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47683802,False
19408,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2nc(O)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7523117,False
19409,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc([N+](=O)[O-])cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83562255,False
19410,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(-c2nc(O)cs2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8325765,False
19411,O=C(NCC=CCN1CCN(c2ccccc2Oc2ccccc2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9318912,False
19412,O=C1N(CCN2CCCC(c3ccccc3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8912808,False
19413,O=C1N(CCN2CCc3ccccc32)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.5049323,False
19414,CC1OCCc2cc(N3CCN(CCN4Cc5ccccc5C4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.7378578,False
19415,CCCN(C(C)C)C1COc2c(C=Cc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.59909886,False
19416,CCCN(CO)C1COc2c(CC3CCCC3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51454294,False
19417,CCCOc1ccc(C)c(OCC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.12898502,False
19418,CCCc1cccc2c1OCC(N(CC(C)=O)c1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.28189945,False
19419,CCCc1cccc2c1OCC(N(COC)Cc1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.608163,False
19420,CCc1ccc(OC)c(OO)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8927965,False
19421,CN1CCCCCC1N1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.26318583,False
19422,COc1ccc(Br)c(OC)c1C(=O)NCC1CCCN1C=C(C)N,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24897397,False
19423,COc1cccc(N2CCN(CCN3CC4CC(C)(C)CC(C)(C4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7727965,False
19424,COc1ccccc1C(=O)NCC=CCN1CCN(CCOc2ccc3[nH]c(O)cc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32678553,False
19425,COc1ccccc1C(=O)NCC=CCN1CCN(c2cnc(-c3ccc(Cl)cc3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56322193,False
19426,N#Cc1cccc2c1CCN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.58025116,False
19427,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5097245,False
19428,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(C#Cc2cccc(Cl)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9365201,False
19429,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccncc1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88289726,False
19430,O=C1N(CCc2ccc3c(c2)Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6452075,False
19431,O=C1N(Cc2cccc(Cl)c2)CCN1CC1Cc2ccccc2N1,[*]N1CCN([*])C1=O,0.51438665,False
19432,O=C1Nc2ccccc2Cc2cc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)ccc21,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39508078,False
19433,CC(C)CN(O)C1COc2c(cccc2CC(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47086236,False
19434,CC1(C)CC2CCC(NCCN3CCN(c4cccc(Cl)c4)C3=O)(CC2)C1,[*]N1CCN([*])C1=O,0.65866387,False
19435,CC1Cc2ccccc2CC2CCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C2C1,[*]N1CCN([*])C1=O,0.72290397,False
19436,CC1c2ccccc2CN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.8035625,False
19437,CCCCN(CC)C1COc2c(cccc2C(C)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.50467175,False
19438,CCCc1cccc2c1OCC(N(CC)CC(=O)NC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.23323828,False
19439,CCN(C)CCN1CCN(c2cccnc2)C1=O,[*]N1CCN([*])C1=O,0.59351903,False
19440,CCOc1c(CC)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25442585,False
19441,CN(CCN1CCN(c2ccccc2Cl)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.48471797,False
19442,CN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2Cl)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38547844,False
19443,CN1CCOCC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5796272,False
19444,CNc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40894684,False
19445,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(-c3cccc(O)c3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39102894,False
19446,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccc(O)cc3)on2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7537332,False
19447,Cc1c(F)cccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7651167,False
19448,O=C(NCC=CCN1CCN(c2ccc(CCF)cc2)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5712714,False
19449,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(Nc2ccccc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7612461,False
19450,O=C1N(CCN2CCCCc3ccccc32)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.44112802,False
19451,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc2ccccc2o1,[*]N1CCN([*])C1=O,0.82310367,False
19452,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.79424465,False
19453,O=C1N(c2ccc3sccc3c2)CCN1C1NCCCC1c1ccccc1,[*]N1CCN([*])C1=O,0.2787468,False
19454,O=C1N(c2cccc(Cl)c2)CCN1C1COCCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.40015978,False
19455,CC(=O)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9755109,False
19456,CC(CN1CCN(CC2CCCCNC2)C1=O)c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.254367,False
19457,CC1(C)CC2CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C(C)(C2)C1,[*]N1CCN([*])C1=O,0.8046993,False
19458,CC1CCN(CCN2CCN(c3cccc(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8932087,False
19459,CCc1ccc(C)c(OCl)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1890157,False
19460,CCc1ccc(COC)c(OO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22855318,False
19461,CCc1cccc2c1OCC(N(CC(C)C)c1ccc(F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.47627527,False
19462,COCc1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.45318487,False
19463,COc1c(OCCF)cccc1N1CCN(CC=CCNC(=O)c2ccccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64173913,False
19464,COc1ccc2cc(OC)c(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93640625,False
19465,Cc1nc2c(N3CCN(CCN4Cc5ccccc5C4)C3=O)cccc2s1,[*]N1CCN([*])C1=O,0.7788452,False
19466,N#Cc1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.8021623,False
19467,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(Cl)cc3)cn2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45868856,False
19468,O=C(NCC=CCN1CCN(c2ccc(Oc3cccnc3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5115518,False
19469,O=C(NCCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1cc(Br)c2ccccc2c1F,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.71093744,False
19470,O=C1N(CC2CCCc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.61367226,False
19471,O=C1N(CCN2CC3CCCC2CCC3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5538855,False
19472,O=C1N(CN2CCCC(OCc3cccs3)C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.49502888,False
19473,O=C1N(c2ccc(F)c(Cl)c2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.26907554,False
19474,C=CCOc1c(C)ccc(CCCC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15525153,False
19475,CC(C)C1NCC(CN2CCN(c3cccc(Cl)c3)C2=O)c2ccccc21,[*]N1CCN([*])C1=O,0.5651257,False
19476,CC(CN1CCN(c2ccc(Cl)cc2F)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.30545577,False
19477,CCCCN(C#Cc1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47632086,False
19478,CCCN(CCC)C1COc2c(cccc2Oc2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.79328483,False
19479,CCCN1CCCC1CNC(=O)c1c(O)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.514752,False
19480,CCOc1c(CC)ccc(C)c1C(=O)NCC1CCCN1S,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1756834,False
19481,CN1CCN(CCN2CCN(c3ccc4c(c3)CCCCC4)C2=O)CC1,[*]N1CCN([*])C1=O,0.70918506,False
19482,COC(C)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8424948,False
19483,COC(CN1CCN(C(C)C)CC1)CN1CCN(CC(F)(F)F)C1=O,[*]N1CCN([*])C1=O,0.3119149,False
19484,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccnc(F)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42260033,False
19485,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C)cc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89028513,False
19486,Cc1cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cs1,[*]N1CCN([*])C1=O,0.8483677,False
19487,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)s2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8651823,False
19488,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)s2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4123844,False
19489,O=C(NCC=CCN1CCN(c2ccc(CCF)cc2)CC1)c1ccccc1OCCCl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5139699,False
19490,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(O)c(F)cc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92143726,False
19491,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cccc(O)c2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8969344,False
19492,O=C(NCC=CCN1CCN(c2cccc(Cl)n2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46779752,False
19493,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.69753927,False
19494,O=C1N(CCN2Cc3ccccc3C2)CCN1c1c(F)ccc(Cl)c1F,[*]N1CCN([*])C1=O,0.7949083,False
19495,CC(O)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7572195,False
19496,CC1(C)CC2CN(CCN3CCN(c4ccccc4Cl)C3=O)CC(C)(C2)C1,[*]N1CCN([*])C1=O,0.5744083,False
19497,CC1C2CCC1(CN(C)CCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.8193071,False
19498,CCN(CC(C)C)C1COc2c(cccc2C(=O)OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.25631166,False
19499,CN(C)CCOCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.51473975,False
19500,CN1CCc2scc(CN3CCN(c4ccccc4)C3=O)c2C1,[*]N1CCN([*])C1=O,0.39111173,False
19501,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41500852,False
19502,COc1ccc2[nH]c(N3CCN(CC=CCNC(=O)c4cccc(F)c4Cl)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40151688,False
19503,COc1ccc2c(N3CCN(CC=CCNC(=O)c4cccc(OCCF)c4Cl)CC3)c[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5156157,False
19504,COc1ccccc1-c1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)co1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38717097,False
19505,C[N+](=O)c1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9453711,False
19506,Cc1cc(N2CCN(CCN3CCc4ccccc4C3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.6886156,False
19507,Cc1coc(CN2CCN(c3ccsc3CC3CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.22513014,False
19508,Nc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9599666,True
19509,O=C(NCC=CCN1CCN(OCCNCc2ccc(CF)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.29299378,False
19510,O=C(NCC=CCN1CCN(c2cc([N+](=O)[O-])cs2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.369225,False
19511,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5378377,False
19512,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83216584,False
19513,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(Br)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8847726,False
19514,O=C1N(CC2NCCCC2O)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.3693009,False
19515,O=C1N(CCN2CCCCC2Cc2ccccc2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.40314466,False
19516,O=C1N(CCN2CCCCC2c2ccccc2)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.38422158,False
19517,O=C1N(CCOCC2CCCc3ccccc32)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.643654,False
19518,[N+]c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45494998,False
19519,CC1(C)C2CCCC1(CN1CCN(c3cccc(Cl)c3F)C1=O)CC2,[*]N1CCN([*])C1=O,0.32996,False
19520,CCCCN(C(C)C)C1COc2c(cccc2-c2cc(C(F)(F)F)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.475959,False
19521,CCCN1Cc2ccccc2CC2CC1CN2CCN1CCN(c2ccc(C)cc2)C1=O,[*]N1CCN([*])C1=O,0.48802218,False
19522,CCN1CCCC1CNC(=O)c1c(OC)ccc(COC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9458688,False
19523,COC1CCCc2ccc(N3CCN(CCN4Cc5ccccc5C4)C3=O)cc21,[*]N1CCN([*])C1=O,0.8145544,False
19524,COCC1CCCCN1CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.41336364,False
19525,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.41241387,False
19526,COc1c(O)ccc2cc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)ccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4246901,False
19527,COc1ccc(Br)c(C(=O)NCC2CCCN2C)c1OCCN,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25035313,False
19528,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cn[nH]c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43136314,False
19529,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(C)cc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51607347,False
19530,O=C(NCC=CCN1CCN(c2ccc3cc[nH]c3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4677937,False
19531,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c(-c2ccc(OCCF)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8455075,False
19532,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]nc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8328003,False
19533,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc2cc(O)ccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7752684,False
19534,O=C1N(CCN2CCCCCC2)CCN1c1cccc(O)c1,[*]N1CCN([*])C1=O,0.78696936,False
19535,O=C1N(CCN2CCNCC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5440232,False
19536,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(F)c(Cl)c1F,[*]N1CCN([*])C1=O,0.773942,False
19537,O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.37563047,False
19538,O=C1N(c2ccc3ccccc3c2)CCN1C1COc2ccccc2C1,[*]N1CCN([*])C1=O,0.4265066,False
19539,C#Cc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9888503,False
19540,CC(NCc1cccc(Cl)c1)N1CCN(c2ccc(C(C)(C)C)cc2)C1=O,[*]N1CCN([*])C1=O,0.21489306,False
19541,CC1CCC2CC(N3CCN(c4cccc(Cl)c4)C3=O)CN12,[*]N1CCN([*])C1=O,0.421111,False
19542,CC1CCN(CCN2CCN(c3cc(F)cc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.70482826,False
19543,CCCCN(C1COc2c(CC)cccc2C1)C(C)c1cccs1,[*]CN([*])C1COc2c([*])cccc2C1,0.48973233,False
19544,CCCN(CCC)C1COc2c(C=Cc3cccs3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.64568686,False
19545,CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6255715,False
19546,COCc1c(C(=O)NCCN2CCN(c3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8314851,False
19547,COc1c(C(=O)NCCN2CCN(c3ccc([O-])cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.81666267,False
19548,COc1ccc2cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)ncc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39636576,False
19549,COc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92483556,False
19550,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Cl)c(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9499486,False
19551,O=C(NCC=CCN1CCN([N+](=O)c2cccc(F)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.285849,False
19552,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1coc(-c2cccc(Br)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84485143,False
19553,O=C(NCC=CCN1CCN(c2ccccc2-c2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81309545,False
19554,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc(Br)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72239614,False
19555,O=C1N(C2CCc3ccccc3C2)CCN1C1COc2ccccc2C1,[*]N1CCN([*])C1=O,0.37177157,False
19556,O=C1N(CCN2CCCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.94315696,True
19557,O=C1N(CCN2CCN(CC(F)c3ccccc3)CC2)CCN1c1ccnc(Cl)c1,[*]N1CCN([*])C1=O,0.5765753,False
19558,O=C1N(CCN2CCNCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.66784304,False
19559,O=C1N(CCN2CCNCC2C#Cc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7656145,False
19560,O=C1N(CCNC2CCCCC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.48456416,False
19561,CC(C)N1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1=O,[*]N1CCN([*])C1=O,0.7409543,False
19562,CCCCN(CC)C1COc2c(cccc2Cn2cccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56987405,False
19563,CCCCN(CC)C1COc2c(cccc2Oc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5664545,False
19564,CCCCN(OC)C1COc2c(cccc2C2CCCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52017933,False
19565,CCCN(CCC1CCCC1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.72761464,False
19566,CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.32701242,False
19567,CCc1ccc(Cl)c(OSO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20532663,False
19568,CCc1cccc2c1OCC(N(Cc1ccc(OC)cc1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.44031164,False
19569,CN1CCN(CCN2CCN(C3CCCCC3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5221523,False
19570,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2F)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.43440613,False
19571,COc1ccc(F)c(N2CCN(CC=CCNC(=O)c3ccccc3O)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5949739,False
19572,COc1cccc(N2CCN(CCN3C=Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.665501,False
19573,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cc(O)ccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9065654,False
19574,Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc[n+]1=O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8857106,False
19575,Cc1cccc2c1OCC(N(CO)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4660737,False
19576,Cc1ccccc1-c1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3425316,False
19577,O=C(NCC=CCN1CCN(C2CCc3ccccc3O2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4622187,False
19578,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9753766,False
19579,O=C1N(CCN2CC3CCC(C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.80259985,False
19580,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc(Cl)c(F)cc1F,[*]N1CCN([*])C1=O,0.87747496,False
19581,O=C1N(CN2CC3CCCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6806121,False
19582,O=C1N(Cc2cccc(Cl)c2)CCN1CC1CCC2CCCCN21,[*]N1CCN([*])C1=O,0.3587287,False
19583,O=C1N(c2cccc(OCC(F)(F)F)c2)CCN1C1COCCN1,[*]N1CCN([*])C1=O,0.2643162,False
19584,CC(=O)CN(C(C)C)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2949786,False
19585,CC(C)ONC1CCC(N2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.34426692,False
19586,CC1CCC(CN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.687085,False
19587,CCN1CCCC1CNC(=O)c1c(OC)ccc(CSC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.92670196,False
19588,CCN1CCCCC(CN2CCN(c3cccc(F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.4007727,False
19589,CCc1ccc(CCF)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.868332,False
19590,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.71817106,False
19591,COc1cc2ccccc2cc1C(=O)NCC=CCN1CCN(c2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5757803,False
19592,COc1ccc(-c2cc[nH]c2C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8598036,False
19593,COc1ccc(CO)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9225138,False
19594,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(OC)c4Cl)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37354696,False
19595,COc1ccccc1C(=O)NCC=CCN1CCN(C2=CC3=c4ccccc4=C(C=CC=C3)S2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37092462,False
19596,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1N,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7017873,False
19597,Cc1ncccc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38582847,False
19598,O=C(NCC=CCN1CCN(CCOc2ccc3ccc(O)nc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4602994,False
19599,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(F)cn3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44373435,False
19600,O=C(NCC=CCN1CCN(c2ccc(Cl)s2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44873247,False
19601,O=C(NCC=CCN1CCN(c2cccc3c2oc(=O)c2ccccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54784393,False
19602,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cnccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7738621,False
19603,O=C1N(CCN2CC3CCCC2Cc2ccccc2C3)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.584151,False
19604,O=C1N(CCOCC2Cc3ccccc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.55388635,False
19605,CC1CCC(N2CCN(Cc3cc4ccccc4s3)C2=O)CO1,[*]N1CCN([*])C1=O,0.4411609,False
19606,CCCC1CN(CCN2CCN(c3ccccc3)C2=O)CC2CC1C2(C)C,[*]N1CCN([*])C1=O,0.65948254,False
19607,CCCN(CCC)C1COc2c(cccc2C(O)c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.712103,False
19608,CCCN(CCCN1CCC2(CCCC2)CC1=O)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.61787885,False
19609,CCCN(CS(=O)(=O)c1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6525746,False
19610,CCc1ccc(OC)c(O[SH](C)(C)=O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23229682,False
19611,CCc1cccc2c1OCC(N(CC(C)CC)c1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.39888933,False
19612,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc4cc(OCCF)ccc4c3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4383401,False
19613,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Oc3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3398193,False
19614,COc1ccccc1N1CCN(CC=CCNC(=O)C(=O)c2ccc(-c3cccc(F)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7931528,False
19615,COc1ccccc1N1CCN(CC=CCNC(=O)n2c(=O)c3ccccc3c3ccccc32)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72816455,False
19616,Cc1ccccc1N1CCN(C2CCCCCN2Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.2370756,False
19617,NS(=O)(=O)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77654845,False
19618,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55767167,False
19619,O=C(NCC=CCN1CCN(c2ccc(SCCF)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40743795,False
19620,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCF)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94674385,False
19621,O=C(NCC=CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7000605,False
19622,O=C1N(CC2NCCc3ccccc32)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.52700746,False
19623,O=C1N(CCN2CCN(Cc3csc4ccccc34)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.71854854,False
19624,O=C1N(c2ccncc2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.26000598,False
19625,C#CCN1C=Cc2ccccc2C(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.4994034,False
19626,CC(C)N1CCN(CCN2CCN(c3ccc(Cl)c(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8094308,False
19627,CC(C)N1CCN(Cc2ccncc2)C1=O,[*]N1CCN([*])C1=O,0.24902049,False
19628,CC1(C)C2CCC(N3CCN(Cc4ccccc4)C3=O)C1CC2,[*]N1CCN([*])C1=O,0.38295925,False
19629,CC1CC2CCC(C1)C(N1CCN(c3cccc(Cl)c3)C1=O)c1ccccc1C2,[*]N1CCN([*])C1=O,0.40889907,False
19630,CCCOCC1CCC2CC1CN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.746684,False
19631,CCCc1ccc(F)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27512783,False
19632,CCc1ccc(Br)c(OS)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21491608,False
19633,COc1ccc(C(=O)NCC=CCN2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4211569,False
19634,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8320045,False
19635,COc1cccc2c(C(=O)NCC=CCN3CCN(c4ccc(Cl)cc4Cl)CC3)c[nH]c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4925229,False
19636,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(-c3ccncc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40906867,False
19637,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccc(Cl)c(Cl)c4Cl)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.61908436,False
19638,Cc1cccc(CN2CCN(CCN3CCN(c4cccs4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.4930349,False
19639,Cc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5315951,False
19640,Nc1ccccc1N1CCN(CC=CCNC(=O)c2c(Cl)cccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82034785,False
19641,O=C(NCC=CCN1CCN(c2cc3cc(O)ccc3[nH]2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40967634,False
19642,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5761726,False
19643,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50132793,False
19644,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc2c(c1)-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8561515,False
19645,O=C1N(CCN2C=CC=CC2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.47134072,False
19646,O=C1N(CCN2CCCCCC2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.71993893,False
19647,CC(c1ccc2ccccc2c1)N1CCN(CCN2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.74689645,False
19648,CC1(C)C2CCC1(CNCCN1CCN(c3ccc(Cl)cc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.42481318,False
19649,CCCCN(C1COc2c(CC)cccc2C1)C(F)(F)c1ccc(C(F)(F)F)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.43528467,False
19650,CCCCN(Cc1ccc(C)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41626102,False
19651,CCCN(CCC)C1COc2c([O-])cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.797908,False
19652,CCOc1c(CC)ccc(C)c1C(=O)NCC1CCCN1SC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.214182,False
19653,CN(C)c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3CF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74896586,False
19654,CN1CCN(CCN2CCN(C3CCCOC3)C2=O)CC1,[*]N1CCN([*])C1=O,0.42248005,False
19655,CNc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49903837,False
19656,COCC1CC2CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC1C2,[*]N1CCN([*])C1=O,0.8485757,False
19657,COc1cc(N2CCN(CC=CCNC(=O)c3cccc(OC)c3F)CC2)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36442518,False
19658,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(-c4ccccc4)cc3)CC2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34347013,False
19659,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c(-c3ccc(Cl)cc3)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9085843,False
19660,Cc1ccc(Cl)cc1N1CCN(CC=CCNC(=O)c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34986,False
19661,Cc1ccc(N2CCN(c3cccc(C#N)c3)C2=O)cn1,[*]N1CCN([*])C1=O,0.26283902,False
19662,Cc1cccc(N2CCN(CC(C)N3CCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.34615386,False
19663,O=C(NCC=CCN1CCN(c2cccc3c2-c2ccccc2C3)CC1)c1cccc(Cl)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6436943,False
19664,O=C1N(CCN2CCCCC3Cc4ccccc4CC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.69448996,False
19665,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(C(F)(F)F)s1,[*]N1CCN([*])C1=O,0.8599587,False
19666,O=C1N(CNCC2CCCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5481364,False
19667,CC1(C)CC2CCNCC2(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.74316376,False
19668,CCCCCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20982651,False
19669,CCCCN(CC)C1COc2c(cccc2-c2ccc(C(=O)O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39568666,False
19670,CCCc1cccc2c1OCC(N(CC)Cc1ccc(O)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.60043144,False
19671,CN1C2CCC1CC(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.71990824,False
19672,CN1CCCCCC1CN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5300902,False
19673,CN1CCN(CCN2CCN(C3COOC3)C2=O)CC1,[*]N1CCN([*])C1=O,0.46858418,False
19674,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4201032,False
19675,COc1ccc(Br)c(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77362454,False
19676,COc1ccccc1C(=O)NCC=CCN1CCN(C2CC2c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.25608772,False
19677,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59025216,False
19678,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(-c3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9366175,False
19679,Nc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5282851,False
19680,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5195717,False
19681,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccnc(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8992844,False
19682,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(O)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.977101,False
19683,O=C(NCC=CCN1CCN(c2cccnc2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47922575,False
19684,O=C1N(CC2CCCCCN2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.45721203,False
19685,O=C1N(CCN2CC3CCC2CCCc2ccccc2C3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5389146,False
19686,O=C1N(CCN2CCCC(C(F)(F)F)CC2)CCN1c1cccc(O)c1,[*]N1CCN([*])C1=O,0.8035304,False
19687,O=C1N(CCN2CCCCC2Cc2ccccc2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.46925142,False
19688,O=C1N(Cc2cccc(F)c2Cl)CCN1C1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.48791414,False
19689,CC(CN1CCN(c2ccc3ccccc3c2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.3855703,False
19690,CC1c2ccc(C#N)cc2CCN1CCN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.6692771,False
19691,CN(C)CC12CNCCC1CC(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.6739494,False
19692,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(SC)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.28833166,False
19693,COc1cccc2c(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8746452,False
19694,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3cc(OCCF)ccc3o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43465567,False
19695,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccnc(C)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80895025,False
19696,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)Cc2ccccc2Cc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92246807,False
19697,C[N+]c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90836537,False
19698,Cc1ccc(CN2CCN(CCN3CC4Cc5ccccc5CC3C4)C2=O)cc1,[*]N1CCN([*])C1=O,0.49237257,False
19699,Cc1ccc(N2CCN(CC3CCCCN(Cc4cccc(Cl)c4)C3)C2=O)cc1C,[*]N1CCN([*])C1=O,0.2928481,False
19700,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1ccc(-c2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49038833,False
19701,O=C(NCC=CCN1CCN(c2cc([N+](=O)[O-])ccc2O)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48825014,False
19702,O=C(NCC=CCN1CCN(c2cccc3c2-c2ccccc2C3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59540784,False
19703,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7221199,False
19704,O=C1N(CCN2C3CCCCCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.728955,False
19705,O=C1N(CCN2CCCC(C(F)(F)F)CC2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.8875632,False
19706,O=C1N(CCN2CCN3CCc4ccccc4CC3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.58242923,False
19707,O=C1N(COCC2CCCCC2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.37342873,False
19708,CC(CN1CCN(c2ccc(F)c(Cl)c2)C1=O)NCc1ccccc1,[*]N1CCN([*])C1=O,0.28479812,False
19709,CC1CCCN(CCN2CCN(c3cccnc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8288295,False
19710,CCCC1CN(CCN2CCN(c3cccc(C(F)(F)F)c3)C2=O)CC2CC1(C)C2,[*]N1CCN([*])C1=O,0.61395174,False
19711,CCCCN(C#N)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52251685,False
19712,CCCCN(CC)C1COc2c(C=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5098349,False
19713,CCCCN(Oc1ccc(C(F)(F)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5331118,False
19714,CCc1ccc(C)c(C(=O)NCC2CCCN2C)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1675177,False
19715,CCc1ccc(C)c(C(=O)NCC2CCCN2SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24160081,False
19716,CN1Cc2ccccc2C(CN2CCN(c3ccccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.4642539,False
19717,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2Br)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97609204,False
19718,Cc1cccc(N2CCN(CC34CCCC(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.42115334,False
19719,N#Cc1cccc(N2CCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.4928933,False
19720,Nc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c2ccccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5730403,False
19721,O=C(NCC=CCN1CCN(c2ccc3oc(=O)ccc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45007715,False
19722,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C1CCc2ccc(O)cc2O1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6710579,False
19723,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2c[nH]c(O)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8562559,False
19724,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(-c2cnc[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.58373517,False
19725,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(-c2ccsc2)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92537373,False
19726,O=C1N(CC2CCCNC2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.43502584,False
19727,O=C1N(CN2CCN(Cc3cccc(Cl)c3)CC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.5844117,False
19728,O=C1N(c2ccccc2)CCN1C1Cc2ccc(Cl)cc2C1,[*]N1CCN([*])C1=O,0.39137334,False
19729,CC(C)Cc1cccc2c1OCC(N(CO)C1CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.45763588,False
19730,CC1(C)CC2CCC1(C)CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.83031154,False
19731,CCCN(C(C)C)C1COc2c(cccc2C(=O)c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41322437,False
19732,CCCN(CO)C1COc2c(cccc2-c2ccc(C)s2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49009025,False
19733,CCCN(Cc1ccc(OC)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6689442,False
19734,CCCN(Cc1ccccc1OC)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6296673,False
19735,CCCOc1c(OC)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.29561484,False
19736,CCNC(=O)c1ccc(C)c(OCC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18851548,False
19737,CCNCc1ccc(CC)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9066229,False
19738,CCOc1ccc(C)c(C(=O)NCC2CCCN2C)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17206916,False
19739,COC(C)(C)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.9006191,False
19740,COc1c(C(=O)NCCN2CCN(c3ccc([O-])c(Cl)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.84908086,False
19741,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(Oc4ccc(OCCF)cc4)cc3)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37611693,False
19742,COc1cccc(C(C)N2CCC(CN3CCN(Cc4cccc(Cl)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.2627663,False
19743,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46043792,False
19744,O=C(NCC=CCN1CCN(c2ccc[nH]2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42895684,False
19745,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Cl)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9226819,False
19746,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1N1CCOCC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7308967,False
19747,O=C1N(CCN2C3CCCCC2Cc2ccccc2C3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.55813134,False
19748,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.7027214,False
19749,C#CCN1CC[N+](CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.518423,False
19750,C=CCOc1c(CCCCl)ccc(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25751355,False
19751,CC(CN1Cc2ccccc2C1)N1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.43710756,False
19752,CCCN(Cc1ccc(OC)cc1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.691804,False
19753,CCN(CC(C)C)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43778816,False
19754,CCOc1c(Br)ccc(CS)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23549728,False
19755,CN(C)c1ccc(N2CCN(CC=CCNC(=O)c3cccc(OCCF)n3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.402114,False
19756,COc1c(C(=O)NCCN2CCN(c3cccc(C#N)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.864096,False
19757,COc1ccc2nc(N3CCN(CC=CCNC(=O)c4cccc(OCCF)c4)CC3)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3252504,False
19758,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3ccc(OCCF)cc3o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40285933,False
19759,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3)s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37131295,False
19760,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)NC(=O)c2ccccc2N3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.700377,False
19761,Cc1cnc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93713295,False
19762,Nc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4678896,False
19763,O=C(NCC=CCN1CCN(c2ccc(F)cc2)CC1)c1ccc(Cl)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.505115,False
19764,O=C1N(CCNC2CCCCC2)CCN1c1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.44136634,False
19765,O=C1N(CN2CCC(C#Cc3ccccc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.718254,False
19766,O=C1N(Cc2cccs2)CCN1CC1CNCCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.39404795,False
19767,C#CN(CCCC)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5184863,False
19768,CC(C)Oc1cccc(N2CCN(CC3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.48009825,False
19769,CC1(C)CC(N2CCN(c3cccc(Cl)c3)C2=O)CCN1Cc1cccc(F)c1,[*]N1CCN([*])C1=O,0.3501563,False
19770,CC1(N2CCN(Cc3ccccc3)C2=O)CC2CCC(C)(C1)C2(C)C,[*]N1CCN([*])C1=O,0.3203301,False
19771,CC1CCCN(C)c2ccc(N3CCN(c4cccc(Cl)c4)C3=O)cc2Cc2ccccc21,[*]N1CCN([*])C1=O,0.5888147,False
19772,CCCN(CC)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62984806,False
19773,CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(cccc2C(=O)OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6370539,False
19774,CCCN(COC(=O)c1ccco1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.383687,False
19775,CCCN(COC)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6208141,False
19776,CCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7680871,False
19777,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(C)n2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3449357,False
19778,COc1c(C(=O)NCCN2CCN(c3ccccc3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8833342,True
19779,COc1cccc(Cl)c1N1CCN(CC=CCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45694816,False
19780,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(O)c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7021943,False
19781,COc1ccccc1C(=O)c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.472679,False
19782,Cc1cncc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.79198134,False
19783,N#CC1CCCCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.41904613,False
19784,O=C1N(CCN2CCCC(C(F)(F)F)CC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.75717753,False
19785,O=C1N(Cc2cc(Cl)cc(Cl)c2)CCN1CC1CCCCN1,[*]N1CCN([*])C1=O,0.33516002,False
19786,O=C1N(c2cccc(Cl)c2)CCN1C1CCC(NCc2ccc(F)cc2)CC1,[*]N1CCN([*])C1=O,0.4215644,False
19787,CC1(C)CC2Cc3ccccc3N(CCN3CCN(c4ccccc4)C3=O)C(C2)C1,[*]N1CCN([*])C1=O,0.5697035,False
19788,CCCCN(CCNC(C)=O)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43058982,False
19789,CCCN(Cc1cnoc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5955509,False
19790,CCOc1c(C)ccc(Br)c1C(=O)NCC1CCCN1[N+](=O)[O-],[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.13110256,False
19791,CCc1ccc(C)c(C(=O)NCC2CCCN2O)c1OCCF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1667844,False
19792,COC(=O)c1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.78808826,False
19793,COCN1CCN(CC(F)(F)F)C1=O,[*]N1CCN([*])C1=O,0.25072566,False
19794,COc1cc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c2ccccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8730642,False
19795,COc1ccc(Br)c(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3860508,False
19796,COc1ccc2ccc(N3CCN(CC=CCNC(=O)c4cccc(OCCF)n4)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36541235,False
19797,COc1cccc(C(=O)NCC=CCN2CCN(c3ccncc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40182993,False
19798,COc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4404232,False
19799,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(Cl)cc3)s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47798273,False
19800,Cc1sc2ccccc2c1NCCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.458127,False
19801,O=C(NCC=CCN1CCN(c2cc(OCCF)cc3nc(O)ccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.535988,False
19802,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3[N+](=O)[O-])cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42306435,False
19803,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c2cccc(O)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9202025,False
19804,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92353904,False
19805,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(Oc2ccccc2Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8587789,False
19806,CC(C)c1cccc(N2CCN(CC(C)(F)N3CCN(C(C)C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.35860205,False
19807,CC(NCCN1CCN(c2cccc(C#N)c2)C1=O)C1CCCCC1,[*]N1CCN([*])C1=O,0.51972467,False
19808,CCCCN(C(C)C)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5049725,False
19809,CCCCN(CC)C1COc2c(cccc2-c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5977861,False
19810,CCCCN(CC)C1COc2c(cccc2C(F)(F)c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5988784,False
19811,CCCCc1ccc(C)c(OCC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.61843157,False
19812,CCCCc1ccc(C)c(OCC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14404039,False
19813,CN(C)CCN1CCN(C2CCOOC2)C1=O,[*]N1CCN([*])C1=O,0.39078003,False
19814,CN(Cc1ccc2ccccc2c1)CN1CCN(c2ccccc2C#N)C1=O,[*]N1CCN([*])C1=O,0.34406912,False
19815,COCC1CCCCN1c1cccc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.44712898,False
19816,COc1c(C(=O)NCCN2CCN(c3cc([N+](=O)[O-])cs3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7527771,False
19817,COc1ccc(-c2cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cs2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9231958,False
19818,Cc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Oc4ccccc4)c3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34068817,False
19819,O=C(NCC=CCN1CCN(c2cc(-c3ccc(O)cc3)c[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44766364,False
19820,O=C(NCC=CCN1CCN(c2ccc(F)cc2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4315478,False
19821,O=C1N(CC(F)(F)F)CCN1C1COCCN1,[*]N1CCN([*])C1=O,0.27452576,False
19822,O=C1N(CCN2C3CCCCCC2CC3)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.5543885,False
19823,O=C1N(CCN2CC3CC(C2)c2ccccc2N3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.6309926,False
19824,CC(C)(C)c1ccc(N2CCN(CC3CCc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.57510227,False
19825,CC(CN1CCN(c2cccc(Cl)c2)C1=O)NCC12CCCC(C1)C2(C)C,[*]N1CCN([*])C1=O,0.49148136,False
19826,CC1(C)CC2CN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC(C)(C2)C1,[*]N1CCN([*])C1=O,0.83350736,False
19827,CC1CCN(C)C(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.75280243,False
19828,CCCCN(CCC)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.66894835,False
19829,CCCc1cccc2c1OCC(N(CO)C1CC(=O)c3occc3C1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.33220705,False
19830,CCN1CCCC1CNC(=O)c1c(C)ccc(SC)c1OSC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.68713295,False
19831,CCN1CCCC1CNC(=O)c1c(S(C)=O)ccc(C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.78360635,False
19832,CN(Cc1cccs1)CN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.37856996,False
19833,COCCN1CCCC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7141428,False
19834,COc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9228736,False
19835,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)s2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8601742,False
19836,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(-c4ccc(F)cc4)cc3)CC2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36276922,False
19837,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cc(F)ccc3C)s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8360767,False
19838,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Br)s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92487526,False
19839,COc1cscc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8367948,False
19840,Cc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87535954,False
19841,O=C(Cc1cccnc1)NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3329266,False
19842,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NC(=O)c1cccc([N+](=O)[O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8239411,False
19843,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(Cl)c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8967227,False
19844,O=C1N(c2cccnc2)CCN1C1CCCCCN1,[*]N1CCN([*])C1=O,0.21033387,False
19845,CCCCN(CCCN1C(=O)CC(C)(C)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5578433,False
19846,CCCc1cccc2c1OCC(N(CCC)C(=O)c1cccc(C)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.26423663,False
19847,CCN(C)C(F)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.44359338,False
19848,CCN(CC(C)C)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5197722,False
19849,CCN(CC1CCc2ccccc2C1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.55280614,False
19850,CCNC(=O)c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.923521,False
19851,CCc1cccc2c1OCC(N(CC(=O)c1cccs1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.27987492,False
19852,COc1ccc(N2CCOCC2)cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41267163,False
19853,COc1ccc2[nH]cc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5415203,False
19854,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccccc3)co2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33488685,False
19855,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccnc(C)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3444315,False
19856,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccnn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96210814,False
19857,Cc1ccc(CNC(=O)CN2CCN(c3cccc(Cl)c3)C2=O)s1,[*]N1CCN([*])C1=O,0.14161476,False
19858,Cc1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3CO)CC2)c1C,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8204821,False
19859,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(C(=O)NCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9223632,False
19860,O=C(NCC=CCN1CCN(c2cccc3c2-c2c(O)cccc2C3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5757644,False
19861,O=C(NCC=CCN1CCN(c2cnn3ccccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48883057,False
19862,O=C1N(CC2CCC3CCCCCC3N2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6174136,False
19863,O=C1N(CC2CNCCN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.623048,False
19864,O=C1N(CCN2CC3CCC(CNC3)C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.67203265,False
19865,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.7620446,False
19866,O=C1N(CCN2CCc3cnccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7321513,False
19867,CC1CCN(C(CN2CCN(c3cccc(Cl)c3)C2=O)c2ccccc2)CC1,[*]N1CCN([*])C1=O,0.5491456,False
19868,CCCN(C(C)=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4703068,False
19869,CCOc1c(Cl)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6202311,False
19870,CN(CC#Cc1ccccc1)CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7775598,False
19871,CN1CCCCC(CN2CCN(c3ccc(F)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.44252437,False
19872,CN1Cc2ccccc2CC2CCC1CC2N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5460923,False
19873,COc1c(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c[nH]c1-c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5275391,False
19874,COc1ccc(-c2cc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)c[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39709854,False
19875,COc1ccccc1N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.63274795,False
19876,Cc1ccc(-c2c(C(=O)NCCN3CCN(C)CC3)cc(Br)c3ccccc23)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.26866764,False
19877,Cc1cccc(N2CCN(CCN3CC4CCc5ccccc5CC3CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.56767255,False
19878,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1[N+](=O)O[N+](=O)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87868017,False
19879,O=C(NCC=CCN1CCN(c2coc3cc(OCCF)ccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50292444,False
19880,O=C1N(CC2CN(Cc3ccccc3)CCN2)CCN1c1cc2ccccc2o1,[*]N1CCN([*])C1=O,0.56758046,False
19881,O=C1N(CCN2CCC(c3cccc(Cl)c3)CC2)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.8332602,False
19882,O=C1N(CCN2CCC3CCc4ccccc4CC2CC3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.56810546,False
19883,O=C1N(CCN2CCCCCC2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.70151067,False
19884,O=C1N(CCN2CCNCC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.62858355,False
19885,CC1CC(C)(C)CCN1CCN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6030734,False
19886,CC1CCC(CN2CCN(c3cccc(C#N)c3)C2=O)N(C)C1,[*]N1CCN([*])C1=O,0.5585516,False
19887,CCCCCN(O)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5138423,False
19888,CCCCN(CC)C1COc2c(cccc2C(=O)c2c[nH]c(C)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2954082,False
19889,CCCN(O)C1COc2c(CCc3cccs3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6046956,False
19890,CCN(C)N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2598239,False
19891,COc1ccc(N)c(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5751433,False
19892,COc1cccc(CN2CCCCC2CN2CCN(Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.25917146,False
19893,COc1cccc(OCCF)c1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3860083,False
19894,COc1ccccc1-c1ccoc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8334444,False
19895,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c3c(O)cccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8067565,False
19896,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(O)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9511563,False
19897,Cc1ccccc1-c1c(C(=O)NCCN2CCN(CO)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3714899,False
19898,O=C(NCC=CCN1CCN(c2ccc3c(c2)-c2ccccc2CC3)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51054883,False
19899,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(O)ccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88389426,False
19900,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(Br)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9604695,False
19901,O=C(NCC=CCN1CCN(c2cnc3cc(OCCF)ccc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.406558,False
19902,O=C1N(CC2CCCNC3Cc4ccccc4CC23)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.45255756,False
19903,O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.48441294,False
19904,O=C1N(Cc2ccsc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4923872,False
19905,CC1(C)CCCN(CCN2CCN(Cc3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.45705983,False
19906,CC1CCCCCN1Cc1cccc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.43106472,False
19907,CCCN(CC)C1COc2c(cccc2C(=O)c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.548427,False
19908,CCCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21228516,False
19909,CN1CCCCC1N1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.38857046,False
19910,COc1c(C(=O)NCCN2CCN(c3cccc([N+](=O)[O-])c3Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.81684023,False
19911,COc1ccc(Cl)cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5629148,False
19912,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3ccc(Oc4ccccc4)cc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34769416,False
19913,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(O)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44914085,False
19914,Cc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8204122,False
19915,Cc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.58373415,False
19916,O=C(NCC=CCN1CCN(c2c[nH]c3cccc(O)c23)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6017425,False
19917,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93654424,False
19918,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93778,False
19919,O=C1CCc2sccc2CN1CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.40012532,False
19920,O=C1N(CCN2CC3CCC2CCc2ccccc2C3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.52833545,False
19921,O=C1N(CCN2CCC(c3ccc(F)cc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.9426724,False
19922,O=C1N(CCN2CCCC(OCc3ccccc3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.85198724,False
19923,O=C1N(CCN2CCCCCC2)CCN1CC1CCCOC1,[*]N1CCN([*])C1=O,0.34045365,False
19924,O=C1N(CNCc2cccs2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.2144425,False
19925,O=C1N(Cc2ccsc2)CCN1C1COc2ccccc21,[*]N1CCN([*])C1=O,0.40068024,False
19926,C=CCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17616102,False
19927,CCCCN(CC)C1COc2c(cccc2S(=O)(=O)c2ccc(C(C)(C)C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.32795346,False
19928,CCCCN(c1ccco1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40484056,False
19929,CCCc1cccc2c1OCC(N(CC)Cc1cc[nH]c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6606261,False
19930,CCN1CCCC1CNC(=O)c1c(S(C)(=O)=O)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.81943524,False
19931,CCOc1c(OC)ccc(S(=O)(=O)O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21702883,False
19932,COCC1CCCN(CN2CCN(c3cccc(C#N)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.5580547,False
19933,COc1c(C(=O)NCCN2CCN(c3ccc(C)cc3N)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.77595943,False
19934,COc1cc(F)cc(C(=O)NCC=CCN2CCN(c3cccc(Oc4ccccc4)n3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37890443,False
19935,COc1ccccc1N1CCN(CC=CCNC(=O)C(=O)c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7932128,False
19936,Cc1cccc(CN2CCN(c3ccc4sccc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.30677363,False
19937,Cc1cccc(N2CCN(Cc3cc(C)co3)C2=O)c1,[*]N1CCN([*])C1=O,0.35032523,False
19938,Nc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9223869,False
19939,O=C(NCC=CCN1CCN(c2cc(O)ccc2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67555004,False
19940,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(-c2cccc(F)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72690356,False
19941,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc([N+](=O)[O-])ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79595786,False
19942,O=C1N(CC2Cc3ccsc3CN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.56487954,False
19943,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1Cc1ccccc1F,[*]N1CCN([*])C1=O,0.7422381,False
19944,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(C(F)(F)F)cc1,[*]N1CCN([*])C1=O,0.88894916,False
19945,O=C1N(COCCF)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.48283094,False
19946,CC(O)c1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.78373456,False
19947,CC1CCC2Cc3ccccc3CC1CN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6728608,False
19948,CCCCOc1c(OC)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.30617088,False
19949,CCCN(CC(C)=O)C1COc2c(cccc2C(=O)c2ccc(O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47296742,False
19950,CCN(Cc1ccsc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5844981,False
19951,CN1CCCC(CN2CCN(C(F)(F)F)C2=O)C1,[*]N1CCN([*])C1=O,0.3919822,False
19952,CN1CCCCC1COCN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.53803855,False
19953,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3coc(O)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34735098,False
19954,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3[nH]c(O)cc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38785854,False
19955,COc1ccccc1N1CCN(CC=CCNC(=O)C(=O)c2ccc(-c3cccc(O)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8073251,False
19956,COc1ccccc1N1CCN(CCN2CCc3ccccc3O2)C1=O,[*]N1CCN([*])C1=O,0.54432625,False
19957,O=C(NCC=CCN1CCN(c2cc3nc(O)ccc3cn2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43285835,False
19958,O=C(NCC=CCN1CCN(c2ccc(-c3cc[nH]c3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5073334,False
19959,O=C(NCC=CCN1CCN(c2ccc3c(c2)CCc2ccccc2-3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4650153,False
19960,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Br)cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88888735,False
19961,O=C(NCC=CCN1CCN(c2ccncc2)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5019016,False
19962,O=C(NCC=CCN1CCN(c2nc3ccccc3cc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40145728,False
19963,O=C1N(CC2CCCCC2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.44428915,False
19964,O=C1N(CC2NCCc3ccccc32)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.6362427,False
19965,O=C1N(CCN2CC3CCC(Cc4ccccc4C3)C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.60940725,False
19966,CC1(C)C2CCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC1CC2,[*]N1CCN([*])C1=O,0.80670106,False
19967,CCCCN(C(=O)c1ccc(C)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.1762413,False
19968,CCCCN(OC(=O)c1ccco1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2930696,False
19969,CCCc1cccc2c1OCC(N(CC)CC(O)c1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.38589713,False
19970,CCCc1cccc2c1OCC(N(CC)Cc1ccccn1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.52899855,False
19971,CCN(CC)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5926282,False
19972,CCc1ccc(Br)c(OBr)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20235233,False
19973,CCc1ccc(Cl)c(C(=O)NCC2CCCN2F)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24832414,False
19974,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccnc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5357727,False
19975,COc1ccc2c(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)ccnc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78006727,False
19976,COc1cccc(C(CN2CCN(c3cccc(C(F)(F)F)c3)C2=O)N2CCCCC2)c1,[*]N1CCN([*])C1=O,0.3194692,False
19977,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4803056,False
19978,N#Cc1ccc2c(c1)CCCN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.78617823,False
19979,O=C(NCC=CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41581318,False
19980,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1[nH]ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79508024,False
19981,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(CCO)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96196634,False
19982,O=C(NCN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34267592,False
19983,O=C1N(CCN2CC3CCC2CCc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6723966,False
19984,O=C1N(CCN2c3ccccc3CC2CO)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.45091423,False
19985,O=C1N(CNCC2CCC3CC2CN3Cc2ccccc2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.3781434,False
19986,O=C1N(c2ccncc2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.17821205,False
19987,CCCN(CC(O)c1ccc(C(F)(F)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5658762,False
19988,CCN1Cc2ccccc2CC1N1CCN(c2ccc(Cl)cc2Cl)C1=O,[*]N1CCN([*])C1=O,0.41456443,False
19989,CCOCN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.34936568,False
19990,CO[N+](=O)c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3839793,False
19991,COc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8344815,True
19992,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39428082,False
19993,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7151166,False
19994,COc1cccc(N2CCN(CN(C)Cc3cccs3)C2=O)c1,[*]N1CCN([*])C1=O,0.40817007,False
19995,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cnccc3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35857317,False
19996,Cc1ccccc1CN1CCN(Cc2ccco2)C1=O,[*]N1CCN([*])C1=O,0.17207752,False
19997,O=C(NCC=CCN1CCN(C2=C3C=CC=C(C=CC=C2)C(O)=N3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36057013,False
19998,O=C(NCC=CCN1CCN(Oc2ccc(-c3ccccn3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35790834,False
19999,O=C(NCC=CCN1CCN(c2cc(Cl)ccc2OCCF)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4997632,False
20000,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1csc(-c2ccc(F)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42202872,False
20001,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccc(Cl)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9109779,False
20002,O=C1N(CCN2Cc3ccccc3C2)CCN1COCc1ccccc1,[*]N1CCN([*])C1=O,0.82868356,False
20003,O=C1N(CCc2ccccc2)CCN1C1CCCCC1CO,[*]N1CCN([*])C1=O,0.37990597,False
20004,O=C1N(CNCC2C=Cc3ccccc3S2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.43252423,False
20005,O=C1N(COCc2ccccc2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.36676466,False
20006,CC(C)N1CCN(CCN(C)C)C1=O,[*]N1CCN([*])C1=O,0.3763407,False
20007,CC(C)c1cccc2c1OCC(N(CO)C1CCCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3731,False
20008,CCCCN(CC)C1COc2c(cccc2-c2cc(C(F)(F)F)ccn2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4803221,False
20009,CCN1CCCC1CNC(=O)c1c(C)ccc(OC)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8598621,False
20010,CCOc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42384958,False
20011,CCc1ccc(C)c(OCCl)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18582697,False
20012,CN(CCN1CCN(Cc2ccccc2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.5541033,False
20013,CN1c2ccccc2C2CCCC1CC2N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.48080462,False
20014,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2cccc(CNC(=O)c3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5939238,False
20015,Cc1cccc(N2CCN(CN(C)CC34CCC(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.54258204,False
20016,Cc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2[N+](=O)[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.69976085,False
20017,O=C(CN1CCN(c2ccccc2)C1=O)NCc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.084159955,False
20018,O=C(NCC=CCN1CCN(c2ccc3c(c2)OCCc2ccc(cc2)CC3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3764928,False
20019,O=C(NCC=CCN1CCN(c2csc3ccccc23)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5378935,False
20020,O=C1N(CC(c2ccccc2)N2CCCCC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.3087761,False
20021,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.82966775,False
20022,O=C1N(CCN2CCCc3sccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.69895476,False
20023,O=C1N(CCN2CCN(c3ccc4sccc4c3)C2=O)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.601112,False
20024,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(C(F)(F)F)n1,[*]N1CCN([*])C1=O,0.79409295,False
20025,CC1CCN(CCN2CCN(c3cc(Cl)ccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.72510636,False
20026,CCCCN(Cc1ccsc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.539253,False
20027,CCCN(CC=Cc1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5657679,False
20028,CCCN(O)C1COc2c(CCc3ccoc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.64130473,False
20029,CN(c1ccccc1)c1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8006957,False
20030,CONN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2[N+](=O)[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3470957,False
20031,COc1c(C(=O)NCCN2CCN(c3ccc([N+](=O)[N+](=O)[O-])cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8047597,False
20032,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ncc[nH]3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43670785,False
20033,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91000867,False
20034,COc1ccc(OC)c(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5792935,False
20035,COc1ccc([N+](C)=O)cc1C(=O)NCC=CCN1CCN(c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9176476,False
20036,COc1ccc2c(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5722293,False
20037,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4ccc(Br)cc4)CC3)oc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33563858,False
20038,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(F)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9618483,False
20039,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(-c3cccc(C)c3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9148883,False
20040,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3ccc(OCCF)cc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9498508,False
20041,O=C(NCC=CCN1CCN(c2cc3cc(O)ccc3[nH]2)CC1)c1ccc(Cl)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41156793,False
20042,O=C(NCC=CCN1CCN(c2ccccc2OCF)CC1)c1ccc2[nH]c(O)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9044526,False
20043,O=C1N(Cc2cccc(Cl)c2)CCN1C1CCC(NCc2cccc(Cl)c2)CC1,[*]N1CCN([*])C1=O,0.35967612,False
20044,CC1C2CCCC1(CN1CCN(c3cccc(F)c3)C1=O)CN2C,[*]N1CCN([*])C1=O,0.5500358,False
20045,CC1CCC2Cc3ccccc3CCC2N1CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.57733154,False
20046,CCCCN(OC(F)(F)F)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5390282,False
20047,CCCN(CCC)C1COc2c(Cc3ccoc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7757437,False
20048,CCCN(CCc1ccc(OC)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7532548,False
20049,COC(C)CN1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.42342398,False
20050,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2[N+](=O)c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.45030984,False
20051,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccnc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84904486,False
20052,Cc1ccc(N2CCN(CC3CCCCN(C)C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.34922838,False
20053,O=C(C=Cc1cccnc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76432955,False
20054,O=C(NCC=CCN1CCN(c2[nH]ccc2-c2ccc(Cl)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45159563,False
20055,O=C(NCC=CCN1CCN(c2ccc(O)cc2O)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52726716,False
20056,O=C(NCC=CCN1CCN(c2ccc3ccc(O)nc3c2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52312577,False
20057,O=C(NCCN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cc(Br)c2ccccc2c1[N+](=O)[O-],[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.70075506,False
20058,O=C1N(C2COOC2)CCN1C1CCc2ccsc2C1,[*]N1CCN([*])C1=O,0.3628214,False
20059,O=C1N(CC2CC3CCC(C2)N(Cc2ccccc2)C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.64046955,False
20060,O=C1N(CC2CCC3CCN2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.66726905,False
20061,O=C1N(CC2CCc3ccccc3C2)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.4767666,False
20062,O=C1N(CN2CCCCCC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.35428733,False
20063,O=C1N(c2ccccc2Cl)CCN1C1CCCc2sccc21,[*]N1CCN([*])C1=O,0.24310726,False
20064,CC1CC2CCC(CN3CCN(c4ccc(Cl)cc4)C3=O)(CC2)C1,[*]N1CCN([*])C1=O,0.33112076,False
20065,CCCN(CCC)C1COc2c(cccc2C2CCCCC2O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7150653,False
20066,CCCc1cccc2c1OCC(N(CC)c1cnco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.57929,False
20067,CCOCN1CCN(C2CCC(C)CN2)C1=O,[*]N1CCN([*])C1=O,0.31291837,False
20068,CCOc1c(Br)ccc(S)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22166269,False
20069,CN(C)c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4444076,False
20070,CN(CN1CCN(c2cccc(Cl)c2)C1=O)CC12CCC(CC1(C)C)CC2(C)C,[*]N1CCN([*])C1=O,0.75368863,False
20071,CN1Oc2ccccc2CC1CN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.5688546,False
20072,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8720585,False
20073,COc1ccc(C)c(OC)c1C(=O)NCC1CCCN1SC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22934495,False
20074,COc1ccccc1C(=O)NCC=CCN1CCN(NC(=O)c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.16811934,False
20075,Cc1cccc(N2CCN(c3cccc(C#N)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.34025162,False
20076,O=C(NCC=CCN1CCN(c2cc3cc([N+](=O)[O-])ccc3o2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37236616,False
20077,O=C(NCC=CCN1CCN(c2ccc(-n3ccnc3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50348634,False
20078,O=C(c1ccccc1)c1ccncc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63771504,False
20079,O=C1N(CC2CCCCN2c2ccccc2)CCN1c1ccc2c(c1)C(O)CCCC2,[*]N1CCN([*])C1=O,0.39822948,False
20080,O=C1N(CCN2CC3CCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.88879067,True
20081,O=C1N(CCN2CCCCc3ccccc32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.47513792,False
20082,O=C1N(c2cccc(Cl)c2)CCN1C1CNCCC12CCCCc1ccccc1C2,[*]N1CCN([*])C1=O,0.40454414,False
20083,CCCN(CCC)C1COc2c(cccc2-n2cc(C(F)(F)F)cc2O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6429629,False
20084,CCc1ccc(C)c(C(=O)NCC2CCCN2Cl)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18114343,False
20085,CCc1ccc(C)c(C(=O)NCC2CCCN2O)c1O[N+](=O)[O-],[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.105390236,False
20086,CN1CCN(CCN2CCCC(O)C2)C1=O,[*]N1CCN([*])C1=O,0.49210632,False
20087,CN1CCN(CCN2CCN(c3ccccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.68464863,False
20088,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c([N+](=O)[O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5293138,False
20089,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45312124,False
20090,COc1ccc2[nH]c(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3855821,False
20091,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)sc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8231908,False
20092,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc3c2-c2ccccc2C3=O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66268414,False
20093,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(C)ccc2[N+](=O)[O-])CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.785073,False
20094,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ncccc3F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90858114,False
20095,O=C(NCC=CCN1CCN(c2cc3ccc(F)cc3s2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39386857,False
20096,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccnc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53216916,False
20097,O=C(NCC=CCN1CCN(c2ccc3cc(OCCF)ccc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46553013,False
20098,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47405005,False
20099,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1csc(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90038335,False
20100,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccoc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8790053,False
20101,O=C1N(CCOc2cccs2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.3876141,False
20102,O=C1N(CCc2ccccc2)CCN1C1CCc2ccsc2CC1,[*]N1CCN([*])C1=O,0.5497062,False
20103,O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.4263317,False
20104,CC(C)N1CCN(CCN2CCN(c3ccc(F)c(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.778631,False
20105,CC1CCC2(C)CC(C1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.792135,False
20106,CCCN(Cc1cc(C)c[nH]1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6109594,False
20107,CCOc1c(C)ccc(CCCSO)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14607316,False
20108,CCc1ccc(OC)c(C(=O)NCC2CCCN2[SH](C)O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25407925,False
20109,CCc1cccc2c1OCC(N(Cc1ccsc1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.46099696,False
20110,COc1ccc(-c2cccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.924679,False
20111,COc1ccc(-c2ncccc2C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.869676,False
20112,COc1ccc(Br)cc1-c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4497845,False
20113,COc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7651135,False
20114,COc1ccc(Oc2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9232284,False
20115,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2CO)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93655425,False
20116,O=C(NCC=CCN1CCN(N2CCCc3ccccc3C2=O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3700468,False
20117,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Cl)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8732469,False
20118,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2ccc(O)o2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81816477,False
20119,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1cccc(Cl)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55660975,False
20120,O=C1N(CC(=O)N2CCc3ccccc32)CCN1Cc1cccs1,[*]N1CCN([*])C1=O,0.13209897,False
20121,O=C1N(CC23CCC(CNC2)C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6114402,False
20122,O=C1N(CCN2CCc3ccsc3C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.747478,False
20123,O=C1N(Cc2cccc(Cl)c2)CCN1CC1CCN(Cc2cccc(Cl)c2)CC1,[*]N1CCN([*])C1=O,0.7226775,False
20124,O=C1N(c2cccc(Cl)c2)CCN1C1CCCCNC1,[*]N1CCN([*])C1=O,0.37900552,False
20125,CCCN(CCC)C1COc2c(cccc2-c2cc(C(C)(C)C)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7385408,False
20126,CCOc1c(C=O)ccc(SC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21188352,False
20127,CCOc1cccc(N2CCN(Cc3cc4ccccc4s3)C2=O)c1,[*]N1CCN([*])C1=O,0.34792733,False
20128,CCc1ccc(C)c(C(=O)NCC2CCCN2CC[O-])c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.34656858,False
20129,COCC12CCC(CN(CN3CCN(c4cccc(Cl)c4)C3=O)C1)C2,[*]N1CCN([*])C1=O,0.6510503,False
20130,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2ccccc2[N+](=O)[O-])CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6964775,False
20131,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccncc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51302505,False
20132,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)cc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.897926,False
20133,COc1ccc([N+](=O)[O-])cc1-c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.36790395,False
20134,COc1cccc(Cl)c1C(=O)NCC=CCN1CCN(c2ccc(CCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4297402,False
20135,COc1ncccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7197326,False
20136,Cc1cc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)[nH]n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3626045,False
20137,Cc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4Cl)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28657183,False
20138,Cc1ccc(N2CCN(CCN3CCc4sccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.5390842,False
20139,Cc1ccc(O)c(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71543,False
20140,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccnc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8254786,False
20141,O=C1N(CCN2C3CCCCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.76312405,False
20142,O=C1N(Cc2cccs2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.37081695,False
20143,O=C1N(c2ccc(F)c(Cl)c2)CCN1C1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.39520466,False
20144,CC(C)N(CC1CCCC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4744658,False
20145,CC(C)Oc1cccc(N2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.12949465,False
20146,CC1(C)C2CCC1(CN1CCN(c3ccc(Cl)cc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.39799094,False
20147,CC1(C)Cc2ccccc2CN1CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.564198,False
20148,CCCCCc1ccc(C)c(OCC)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14698587,False
20149,CCCN(COCc1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.63593334,False
20150,CCCc1cccc2c1OCC(N(CC)COC(=O)c1ccc(F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3153513,False
20151,CCN1CCCC1CNC(=O)c1c(C)ccc(OC)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.85255414,False
20152,CCN1CCCC1CNC(=O)c1c(C)ccc(SC)c1OCO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.69901633,False
20153,CCOc1c(C)ccc(OS)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15718631,False
20154,CCOc1cccc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34757173,False
20155,COc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3CO)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40142643,False
20156,Cc1ccc(Cl)c(N2CCN(CC=CCNC(=O)c3cccc(N)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.559567,False
20157,Cc1ccc(Oc2ccccc2C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8342306,False
20158,N#Cc1ccc2c(c1)C(CN1CCN(c3cccc(C(F)(F)F)c3)C1=O)NCC2,[*]N1CCN([*])C1=O,0.5671381,False
20159,O=C(NCC=CCN1CCN(c2cccc([N+](=O)c3ccccc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40499538,False
20160,O=C1N(CC(CN2CCCCC2)c2nccs2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.38138995,False
20161,O=C1N(CC2CCCCN2Cc2ccc(Cl)cc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5127716,False
20162,O=C1N(CCOCc2ccccc2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.45249283,False
20163,O=C1N(c2cccc(Cl)c2)CCN1C1CCCCC12CCCOC2,[*]N1CCN([*])C1=O,0.33213386,False
20164,C#CCN1Cc2ccccc2C(CN2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.60205334,False
20165,CC(=O)c1ccccc1N1CCN(CC=CCNC(=O)c2cc(Br)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63562757,False
20166,CC1(C)C2CCC1(CN1CCN(Cc3ccccc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.42328712,False
20167,CC1CCc2ccccc2N1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.63994837,False
20168,CCCCCN(c1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49999636,False
20169,CCCCN(C)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6213017,False
20170,CCCCN(CC)C1COc2c(cccc2C(=O)c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41687018,False
20171,CCCN(O)C1COc2c(Cc3ccc(C)cc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43344915,False
20172,CCN1CCN(CCN2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.67463887,False
20173,CCOc1c(C)ccc(Br)c1C(=O)NCC1CCCN1CO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.40142968,False
20174,CN1CC2(C)CCC1CC2CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6039622,False
20175,COCCN1CCCC(CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.736962,False
20176,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3c(c2)CCc2cc(F)ccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45927167,False
20177,O=C(NCC=CCN1CCN(c2c[nH]c3ccccc23)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6579032,False
20178,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)c(CF)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4906577,False
20179,O=C(NCC=CCN1CCN(c2ccc3c(c2)OCO3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35296184,False
20180,O=C(NCC=CCN1CCN(c2ccccc2[O-])CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7976517,False
20181,O=C1N(CC2CCc3ccccc3C2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.53010774,False
20182,O=C1N(CCN2CCN(CC(F)c3cccc(F)c3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6774779,False
20183,O=C1N(CCOc2cccc(Cl)c2)CCN1CC1CCCc2ccccc21,[*]N1CCN([*])C1=O,0.6236964,False
20184,O=C1NC2CCC(CCC2N2CCN(c3cccc(Cl)c3)C2=O)Cc2ccccc21,[*]N1CCN([*])C1=O,0.5186672,False
20185,CC(C)CN1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7599917,False
20186,CC1(C)CC2CC(C)(CCN2CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.8530634,False
20187,CC1(C)CCN(CCN2CCN(Cc3ccc(Cl)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6093785,False
20188,CCCCN(CC)C1COc2c(cccc2C2CCCC(=O)C2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47592902,False
20189,CCCCN(CCC)C1COc2c(Cc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7073566,False
20190,CCCOC1CCCc2ccc(N3CCN(c4ccccc4Cl)C3=O)cc21,[*]N1CCN([*])C1=O,0.3701893,False
20191,CCCc1cccc2c1OCC(N(CO)CCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6201951,False
20192,CCOc1c(C)ccc(CO)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17638655,False
20193,CCc1ccc(COC)c(C(=O)NCC2CCCN2C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27413914,False
20194,CCc1ccc([SH](C)O)c(OBr)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22306183,False
20195,CCc1cccc2c1OCC(N(O)CC(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.29394516,False
20196,COc1ccc(SC)c(OC)c1C(=O)NCC1CCCN1CC(N)=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.564603,False
20197,COc1ccc2cccc(N3CCN(CC=CCNC(=O)c4ccccc4)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7292133,False
20198,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(C)ccc2Br)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9023523,False
20199,N#CC1CCc2ccc(N3CCN(c4cccc(Cl)c4)C3=O)cc2Cc2ccccc21,[*]N1CCN([*])C1=O,0.37409717,False
20200,O=C(F)COc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6295129,False
20201,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89679605,False
20202,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2c(O)cccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9617462,False
20203,O=C1N(CC2CCc3ccccc3C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.59889877,False
20204,O=C1N(CCN2CCC3CCCC(CC3)C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.81703144,False
20205,O=C1N(Cc2scc3ccccc23)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.43937594,False
20206,CCCCN(C1COc2c(CC)cccc2C1)C(C)(C)c1ccccc1,[*]CN([*])C1COc2c([*])cccc2C1,0.4251745,False
20207,CCCCc1ccc(O)c(C(=O)NCC2CCCN2C)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24982244,False
20208,CCCN(CCC)C1COc2c(cccc2C(=O)c2ccc(C(C)(C)C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.65179646,False
20209,CCCc1cccc2c1OCC(N(CCC)NC(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3523854,False
20210,CCCc1cccc2c1OCC(N(Cc1ccccc1)C1CCCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.50911,False
20211,CN1CCCCC1COCN1CCN(Cc2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.3067646,False
20212,COCCN1CCN(c2cccc(C)c2)C1=O,[*]N1CCN([*])C1=O,0.5497108,False
20213,COc1c(C(=O)NCCN2CCN(c3cc(C)c[nH]3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7826066,False
20214,COc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2cccc(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39312765,False
20215,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45850772,False
20216,COc1ccccc1C(=O)NCC=CCN1CCN(c2c[nH]c3ccc(O)cc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49151972,False
20217,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3c2C=CC=CC3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7659465,False
20218,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(F)cc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8762996,False
20219,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2O)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9069512,False
20220,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc([N+](=O)c2cccs2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94090456,False
20221,O=C1N(CC2CCCCCN2Cc2cccc(Cl)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4571593,False
20222,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc2occc12,[*]N1CCN([*])C1=O,0.6885952,False
20223,O=C1N(CNCC2C=Cc3ccsc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.35013998,False
20224,O=C1N(Cc2cccc(Cl)c2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.33019242,False
20225,O=C1N(c2cccc(Cl)c2)CCN1C1CNCCC12CCc1ccccc1C2,[*]N1CCN([*])C1=O,0.4157342,False
20226,CC(C)Oc1ccccc1N1CCN(CC2CCCN(Cc3ccccc3)CC2)C1=O,[*]N1CCN([*])C1=O,0.54788285,False
20227,CCCN(CCC)C1COc2c(cccc2-c2occc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7609756,False
20228,CCCc1cccc2c1OCC(N(CC)COCc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6451211,False
20229,CCN1CCN(c2ccc3c(c2)C(c2ccccc2)Cc2ccccc2-3)C1=O,[*]N1CCN([*])C1=O,0.58228046,False
20230,CN(CN1CCN(C2COOC2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.547718,False
20231,CN1CCCCC1COCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.69260263,False
20232,CN1c2ccccc2CC2CCC1CC2N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4451354,False
20233,COCC1C2CCC1(CN(C)CCN1CCN(c3cccc(F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.6524921,False
20234,COCC1CCCN1CN1CCN(c2cccnc2)C1=O,[*]N1CCN([*])C1=O,0.34614706,False
20235,COc1cccc(-c2cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c[nH]2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36505657,False
20236,Cc1ccccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)[n+]1=O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8796064,False
20237,Cc1ccncc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59652305,False
20238,O=C(NCC=CCN1CCN(Cc2ccc(-c3ccsc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4029548,False
20239,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1c(F)cccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39427,False
20240,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1)c1ccc(-c2cc[nH]c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5561255,False
20241,O=C1N(CC2CCCC3CCCCN32)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.40423265,False
20242,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.7600921,False
20243,O=C1N(CCN2C3CCCCC2Cc2ccccc2C3)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.5308599,False
20244,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.78991854,False
20245,CC(C)N1CCN(CCN2CCN(c3ccccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.7255343,False
20246,CC(C)c1ccc(N2CCN(c3cccc4c3CN(C)C4)C2=O)cc1,[*]N1CCN([*])C1=O,0.3874857,False
20247,CC(C)c1cccc(N2CCN(C3CCCCN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.3513359,False
20248,CC(CN1CCN(c2cccc(Cl)c2)C1=O)NC1CCCc2ccccc21,[*]N1CCN([*])C1=O,0.39297122,False
20249,CC1Cc2ccccc2CCN1CCN1CCN(c2ccc3c(c2)OCO3)C1=O,[*]N1CCN([*])C1=O,0.4777828,False
20250,CCCN(CC1CCCC2(CCC(=O)C(=O)C2)C1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45815974,False
20251,CCN1CCCC1CNC(=O)c1c(C)ccc(OSC)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6847608,False
20252,CCNCCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1978885,False
20253,CCOc1c(C(C)=O)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17191759,False
20254,CCc1cccc2c1OCC(N(CO)C(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.40244862,False
20255,CN1CCc2cc(N3CCN(c4ccc(F)cc4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.41894177,False
20256,COCC1CCCN(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.59203315,False
20257,COc1ccc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4112086,False
20258,COc1ccccc1N1CCN(CC=CCNC(=O)OCC2c3ccccc3-c3ccccc32)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8067552,False
20259,COc1ccccc1N1CCN(CC=CCNC(=O)c2cnc(-c3ccc(Cl)cc3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90817124,False
20260,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1c[nH]c2ccc(OCCF)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51794416,False
20261,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(-c2ccc(O)[nH]2)ccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8564803,False
20262,O=C1N(CC2CCCc3sccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.57868904,False
20263,CC1(C)CC(N2CCN(c3cccc(Cl)c3)C2=O)CCN1,[*]N1CCN([*])C1=O,0.4175527,False
20264,CCCCN(CC)C1COc2c(cccc2C(=O)c2coc(C(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4156498,False
20265,CCCSc1ccc(OC)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.198054,False
20266,CCN(C)CCN1CCN(c2ccc(OC)cc2)C1=O,[*]N1CCN([*])C1=O,0.5841061,False
20267,CCc1ccc(SC)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8285806,False
20268,COc1c(C(=O)NCCN2CCN(C(C)=O)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.30290705,False
20269,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.428445,False
20270,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(F)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4643248,False
20271,COc1cccc(N2CCN(Cc3cccc(OC(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3657006,False
20272,O=C(CCc1ccccc1)NCC=CCN1CCN(c2cccs2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2702155,False
20273,O=C(NCC=CCN1CCN(c2ccc(-c3ccncc3)cc2)CC1)c1c(Cl)cccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.41579023,False
20274,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C(=O)c1ccc(-c2cccc(O)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84508777,False
20275,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c(-c2ccccc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89675736,False
20276,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1Cc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84512913,False
20277,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(Br)ccc1CO,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8209598,False
20278,O=C1N(CCN2CCC3(CCc4ccccc4C3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8623496,False
20279,O=C1N(CCN2CCC3CCC(CC3)C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.81484824,False
20280,O=C1N(CCN2CCCCCC2)CCN1C(F)(F)F,[*]N1CCN([*])C1=O,0.61241335,False
20281,O=C1N(CCN2CCc3ccccc3C2)CCN1COCCF,[*]N1CCN([*])C1=O,0.65678954,False
20282,O=C1N(CCN2Cc3ccccc3C2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.7981176,False
20283,C=CCN1CCCC1CNC(=O)c1c(C)ccc(Br)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.41259512,False
20284,CCCc1cccc2c1OCC(N(CCC)Cn1cc(C(F)(F)F)oc1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.41698956,False
20285,CN(CCN1CCN(c2ccccc2)C1=O)CC12CCC(CC1)CC2(C)C,[*]N1CCN([*])C1=O,0.6980472,False
20286,CN1CCCC(c2cccc(N3CCN(c4cccc(Cl)c4)C3=O)c2)CC1,[*]N1CCN([*])C1=O,0.5798497,False
20287,CN1CCN(CCN2CCN(c3cccc(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.84235096,False
20288,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3F)CC2)ccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4032173,False
20289,COc1ccccc1C(=O)NCC=CCN1CCN(Cc2ccc(Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43552083,False
20290,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(-c3ccc(CF)s3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9156884,False
20291,O=C(Cc1ccc(-c2ccccn2)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7663678,False
20292,O=C(NCC=CCN1CCN(c2ccc(Oc3ccc(Br)cc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3921161,False
20293,O=C(NCC=CCN1CCN(c2ccc3ccsc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32366928,False
20294,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1[N+](=O)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9445078,False
20295,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccncc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79699314,False
20296,O=C1N(CCN2CCCC(C(F)F)CC2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.73044294,False
20297,O=C1N(CCN2CCCCC(C(F)(F)F)C2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.5096756,False
20298,O=C1N(CCN2CCNCC2c2cccc(Cl)c2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.65248054,False
20299,O=C1N(CCN2CCc3cc(Cl)ccc3C2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.69752294,False
20300,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc2c(c1)CCC2,[*]N1CCN([*])C1=O,0.69461834,False
20301,O=C1N(CN2CCCCCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.40725067,False
20302,O=C1N(Cc2ccc3c(c2)CCNC3)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.43190488,False
20303,CC(C)OCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4879578,False
20304,CC1(C)C2CCC1(CNCCN1CCN(Cc3cccc(Cl)c3Cl)C1=O)CC2,[*]N1CCN([*])C1=O,0.40871766,False
20305,CCCc1cccc2c1OCC(N(CCC)C(O)c1ccc(F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5941046,False
20306,CCOc1c(OC)ccc(C)c1C(=O)NCC1CCCN1CSC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.46305722,False
20307,CC[N+]c1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.77038974,False
20308,CN1CCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.85839427,False
20309,CN1CCN(CCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7956448,False
20310,COc1ccc(N(C)c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4142491,False
20311,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5814146,False
20312,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4950075,False
20313,Cc1cccc(N2CCN(CC3CCCN(C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.5169844,False
20314,N#Cc1cccc(CNCCN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.43674415,False
20315,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(O)c([N+](=O)[O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82286525,False
20316,O=C(NCC=CCN1CCN(c2cccc3cc(OCCF)ccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7127074,False
20317,O=C1N(CCN2CCCCCC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.68782043,False
20318,O=C1N(CCN2Cc3ccccc3C2)CCN1C1CCOCC1,[*]N1CCN([*])C1=O,0.6348335,False
20319,O=C1N(Cc2ccc(Cl)cc2)CCN1Cc1nc2ccccc2s1,[*]N1CCN([*])C1=O,0.34790125,False
20320,O=C1N(Cc2sc3ccccc3c2Cl)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.44001782,False
20321,O=C1N(c2cccc(Cl)c2)CCN1c1cccc(OC2CCNCC2)c1,[*]N1CCN([*])C1=O,0.47703317,False
20322,C=CCN(C(C)C)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42474395,False
20323,CC(C)(C)c1ccc(N2CCN(CCN3CCCCCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.80631256,False
20324,CC1Cc2ccccc2C(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.61996686,False
20325,CC1c2ccccc2CN1CCN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6074453,False
20326,CCCN(CCC)C1COc2c(cccc2C(C)(O)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7041626,False
20327,CCCN(CCC)C1COc2c(cccc2Oc2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.79560465,False
20328,CCCc1cccc2c1OCC(N(CC(C)=O)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.37279835,False
20329,COc1ccc(-c2cccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88667846,False
20330,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(OC)c3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41687408,False
20331,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c2ccc(O)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52102506,False
20332,COc1ccc2[nH]c(N3CCN(CC=CCNC(=O)c4ccccc4Cl)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38119125,False
20333,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(OC)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93719965,False
20334,Cc1[nH]c(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33840397,False
20335,Cc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49330124,False
20336,O=C(CCNC(=O)c1cc2ccccc2[nH]1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6905558,False
20337,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1sc2ccccc2c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5137509,False
20338,O=C(NCC=CCN1CCN(c2ccc(O)c(O)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48688152,False
20339,O=C(NCC=CCN1CCN(c2ccc3[nH]cnc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45517436,False
20340,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(Br)ccc1OCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88397723,False
20341,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.651099,False
20342,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.6499094,False
20343,O=C1N(CCN2CCCC3CCCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.76940894,False
20344,O=C1N(Cc2ccccc2)CCN1c1ccc2c(c1)CCCC(O)C2,[*]N1CCN([*])C1=O,0.40772122,False
20345,CCCCN(C1CCC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49303755,False
20346,CCCN(CC)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56356937,False
20347,CCCN(CCC)C1COc2c(cccc2-c2ccccc2O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71374106,False
20348,CCCN1CCCC1CNC(=O)c1c(CC)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.4681671,False
20349,CCCc1cccc2c1OCC(N(CC(F)(F)F)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.36807162,False
20350,CCN(CO)C1COc2c(CCCF)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5200085,False
20351,CN(Cc1ccccn1)CN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.27236375,False
20352,CN1CCCCCC1CN1CCN(c2cc(F)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.40199843,False
20353,COc1cccc(Cl)c1N1CCN(CC=CCNC(=O)c2cc3ccc2CCc2ccc(cc2)CC3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42298025,False
20354,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42588106,False
20355,COc1ccccc1N(C)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9118834,False
20356,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)[nH]2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89030915,False
20357,Cc1sccc1N1CCN(c2cccc(C(C)C)c2)C1=O,[*]N1CCN([*])C1=O,0.15475585,False
20358,O=C(CNC(=O)c1ccccc1Cl)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83288914,False
20359,O=C(NCC=CCN1CCN(c2ccc3cnccc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5390638,False
20360,O=C(NCC=CCN1CCN(c2cccc3c2-c2ccccc2Cc2ccccc2-3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7790011,False
20361,O=C(NCC=CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6563246,False
20362,O=C1N(CCN2CCCCCC2)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.46119905,False
20363,O=C1N(CCN2CCCCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.94315696,False
20364,O=C1N(CCN2CCc3sccc3C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.64503336,False
20365,O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1C1CCOC1,[*]N1CCN([*])C1=O,0.4073332,False
20366,CCC(C)CN(CC)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56062484,False
20367,CCCN(C(C)C)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6929617,False
20368,CCCN(Cc1ccc(-c2ccccc2)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6999857,False
20369,CCCc1ccc(CC)c(C(=O)NCC2CCCN2C)c1OSC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19897829,False
20370,COc1c(C(=O)NCCN2CCN(C#Cc3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.47888908,False
20371,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)oc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8922726,False
20372,COc1cccc(CCN2CCN(CC3CCCOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.3605812,False
20373,COc1cccc(N2CCN(C3NCCC3Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.36489835,False
20374,COc1cccc(Oc2ccc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8339159,False
20375,COc1ccccc1C(=O)NCC=CCN1CCN(c2csc(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44297296,False
20376,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3c[nH]c(O)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.871888,False
20377,Nc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7647895,False
20378,O=C(NCC=CCN1CCN(c2cc(O)nc3ccccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55045307,False
20379,O=C(NCC=CCN1CCN(c2ccc(CCF)cc2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4234222,False
20380,O=C(NCC=CCN1CCN(c2ccc(F)cn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48143423,False
20381,O=C(NCC=CCN1CCN(c2ccc3c(c2)CC(O)c2ccccc2-3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5340114,False
20382,O=C1N(CC2CCC3CCC(CC3)N2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6142901,False
20383,O=C1N(COCC#Cc2ccccc2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.35488012,False
20384,O=C1N(Cc2ccc(Cl)cc2)CCN1CC([O-])NCc1ccccn1,[*]N1CCN([*])C1=O,0.19466797,False
20385,CC(C)c1sc2ccccc2c1N1CCN(CC(=O)N2CCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.15728968,False
20386,CCCc1cccc2c1OCC(N(CC)CC(C)(O)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.538039,False
20387,CCCc1cccc2c1OCC(N(CO)CC1CCCN(c3ccccc3)C1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.41767392,False
20388,CCOCN1CCN(C2CCCCN2C)C1=O,[*]N1CCN([*])C1=O,0.30816892,False
20389,CN(C)CC1CCc2ccccc2C1N1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.5386521,False
20390,CN1CCCN(CCN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1,[*]N1CCN([*])C1=O,0.5612217,False
20391,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccnc(-c3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3854487,False
20392,COc1ccccc1CN1CCN(Cc2ccc3sccc3c2)C1=O,[*]N1CCN([*])C1=O,0.29479876,False
20393,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cnc[nH]3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88541657,False
20394,Cc1ccc(N2CCN(CC3CCCCN3)C2=O)s1,[*]N1CCN([*])C1=O,0.41324437,False
20395,Cc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3685085,False
20396,O=C(NCC=CCN1CCN(c2ccc3c(c2)-c2ccccc2C3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46754214,False
20397,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(Cl)c2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9511076,False
20398,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8911174,False
20399,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc2c1Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83449996,False
20400,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc2c(O)cccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82201403,False
20401,O=C(NCC=CCN1CCN(c2cccnc2)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5149828,False
20402,O=C1N(CC2CCCCC2)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.38959086,False
20403,O=C1N(CC2CCNOC2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.50631773,False
20404,O=C1N(CCN2CCCCCC2)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.68727857,False
20405,O=C1N(CCN2CCc3sccc3C2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.66474295,False
20406,O=C1N(CCN2COc3ccccc3C2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.7049958,False
20407,CCCCSOc1c(OC)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.29741266,False
20408,CCCN(CCC)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.73273414,True
20409,CCCSN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16962709,False
20410,CCCc1cccc2c1OCC(N(CC(=O)OC)CC1CCCC(=O)C1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.1910979,False
20411,CCN1CCCC(N2CCN(Cc3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.45899427,False
20412,CCOc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8583065,False
20413,CN1CCCCC1OCCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7685531,False
20414,COc1cc2cccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80889505,False
20415,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3ccc2Cc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71519613,False
20416,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3ccnn3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8331291,False
20417,Cc1ncc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8985644,False
20418,O=C(NCC=CCN1CCN(c2cc(-c3ccccc3)ccn2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4117411,False
20419,O=C(NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2-3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4467749,False
20420,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)OCC=Cc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8595026,False
20421,O=C(NCC=CCN1CCN(c2cccc3cccc(CCF)c23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6135574,False
20422,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2cccc(F)c2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90965277,False
20423,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccn1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8463284,False
20424,O=C(NCC=CCN1CCN(c2cccnc2)CC1)c1cc(Cl)ccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53087324,False
20425,O=C(NCCON1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.29925072,False
20426,O=C1N(CCN2CCCC3(CCc4ccccc43)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.68924093,False
20427,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc(F)c(F)cc1Cl,[*]N1CCN([*])C1=O,0.71140134,False
20428,O=C1N(CCO)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.75785434,False
20429,CC(C)OCc1cccc(N2CCN(Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.34458834,False
20430,CC1CCCCN(CCN2CCN(c3ccc(F)c(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.709777,False
20431,CC1CCCCN(CCN2CCN(c3cccc(O)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.67347914,False
20432,CCCN(Cc1ccc(C(C)=O)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4734933,False
20433,CCN(C(C)C)C1COc2c(cccc2C(=O)c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.26039618,False
20434,CCc1cccc2c1OCC(N(O)CCCC(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4497765,False
20435,CN1CCC2CC1Cc1ccccc1CC2N1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.43054298,False
20436,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cc([N+](=O)[O-])ccc2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34720674,False
20437,COc1ccc(-c2ccccc2)c(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6178573,False
20438,COc1ccc2ccc(O)c(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.27013132,False
20439,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(COc3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9625345,False
20440,Cc1ccc(N2CCN(CC3COCN3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.3366785,False
20441,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86006135,False
20442,O=C(CNS(=O)(=O)c1ccccc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70198286,False
20443,O=C1N(CCN2CC3CCCC(CCC3)C2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.69931793,False
20444,O=C1N(CCN2CCCCCC2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.89790857,True
20445,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc(Cl)cc1F,[*]N1CCN([*])C1=O,0.6110963,False
20446,O=C1N(Cc2cccc(CO)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4191054,False
20447,O=Cc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72452116,False
20448,CC(C)(C)c1ccccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.83464974,False
20449,CCC(C)CN(CC)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.44132003,False
20450,CCCCN(CC)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47257194,False
20451,CCCN(CCC)C1COc2c(cccc2C(=O)c2cc(C)no2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51765585,False
20452,CCCc1cccc2c1OCC(N(C#Cc1ccccc1)CCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6670235,False
20453,CCCc1cccc2c1OCC(N(CCC)c1ccccc1OC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.58459276,False
20454,CCCn1cccc1CN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.3236896,False
20455,CCN(C)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9623814,False
20456,CCN1CCCC1CNC(=O)c1c([SH](C)(=O)O)ccc(Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.89171743,False
20457,CN(C)c1cccc(CN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.34956512,False
20458,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3CCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3871439,False
20459,Cc1ccc(CN2CCN(CCN3CCN(C(C)C)C3=O)CC2)s1,[*]N1CCN([*])C1=O,0.5144281,False
20460,Cc1ccccc1N1CCN(CCN2CCN(C(C)C)CC2)C1=O,[*]N1CCN([*])C1=O,0.6492193,False
20461,N#Cc1ccc2c(c1)C=CN(CCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.6481506,False
20462,O=C(NCC=CCN1CCN(c2ccc([N+](=O)[O-])o2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30333737,False
20463,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ncccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9334294,False
20464,O=C(NCC=CCN1CCN(c2cccc(Oc3ccccc3)c2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44550142,False
20465,O=C1N(CCOc2ccc(Cl)cc2)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.7547345,False
20466,O=C1N(CN2CCC(c3ccccc3)CC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.64576924,False
20467,O=C1N(c2cccc(Cl)c2)CCN1C1CCC2c3ccccc3NCC2C1,[*]N1CCN([*])C1=O,0.4133677,False
20468,CC1c2ccccc2CN1CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.65633476,False
20469,CCCCCN(CC)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.59812486,False
20470,CCCCN(CC)C1COc2c(cccc2-c2ccc(OC)cn2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43273315,False
20471,CCCCN(CC)C1COc2c(cccc2-c2ccc3ccccc3c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47835982,False
20472,CCCCN(OCc1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4797233,False
20473,CCCCc1ccc(CCF)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2785396,False
20474,CCCN(CCC)C1COc2c(cccc2NC(=O)c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3662081,False
20475,CCCc1cccc2c1OCC(N(CC)CF)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6586116,False
20476,CCCc1cccc2c1OCC(N(Cc1ccccc1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.59128517,False
20477,CCc1cccc2c1OCC(N(CC)CC(=O)c1ccco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.26391992,False
20478,CCc1cccc2c1OCC(N(Cc1ccco1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.34079623,False
20479,CN(Cc1cccs1)CN1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.3836308,False
20480,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3ccc2OCCc2ccc(cc2)CC3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47233135,False
20481,COc1ccccc1CN1CCN(CC=CCNC(=O)c2c[nH]c(-c3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.25570998,False
20482,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Br)cc(Oc3ccccc3)c2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92429364,False
20483,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccncc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9881088,False
20484,Cc1cscc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.79972625,False
20485,O=C(NCC=CCN1CCN(c2cc(O)c3ccccc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44434136,False
20486,O=C(NCC=CCN1CCN(c2ccc(O)c(Cl)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50098664,False
20487,O=C(NCC=CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63518184,False
20488,O=C1N(CC#Cc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.513693,False
20489,O=C1N(CC2NCCc3c(F)cccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.57449734,False
20490,O=C1N(c2csc3ccccc23)CCN1C1CCCNCC1,[*]N1CCN([*])C1=O,0.26928636,False
20491,C=Cc1cccc2c1OCC(N(CCC)Cc1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.7273206,False
20492,CCCN(CC#Cc1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5542603,False
20493,CCCc1cccc2c1OCC(N(CC)Cc1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.64579153,False
20494,CCN1CCCC1CNC(=O)c1c(C)ccc(Br)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6441148,False
20495,CCN1CCCC1CNC(=O)c1c(C)ccc(O)c1OCCCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.74110496,False
20496,COc1c(C(=O)NCCN2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7647408,False
20497,COc1ccc(OC)c(CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.47165158,False
20498,COc1ccc([N+](=O)c2ccccc2)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85340965,False
20499,COc1cccc(N2CCN(C3CCOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.26006934,False
20500,Cc1ccc(CN(C)CCN2CCN(c3cccc(C(F)(F)F)c3)C2=O)s1,[*]N1CCN([*])C1=O,0.5590463,False
20501,Cc1ccc(N2CCN(C3CCNCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.22188483,False
20502,Cc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38913324,False
20503,Cc1ccc(OCCF)c(N2CCN(CC=CCNC(=O)c3cccc(C(F)(F)F)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49134514,False
20504,O=C(NCC=CCN1CCN(c2cc3cccnc3[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44520995,False
20505,O=C(NCC=CCN1CCN(c2ccc(-c3cc(Cl)ccc3O)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5172774,False
20506,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5242946,False
20507,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2cc(O)c(O)cc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9124744,False
20508,O=C1N(CC2CCCCN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.627565,True
20509,O=C1N(CCN2CC3CCCCCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.78288895,False
20510,O=C1N(c2cccc(Cl)c2)CCN1C1CC2CCC(C1)N2Cc1ccc(F)cc1,[*]N1CCN([*])C1=O,0.46434468,False
20511,O=C1N(c2ccccc2)CCN1C1CCCc2sccc2C1,[*]N1CCN([*])C1=O,0.29690957,False
20512,CC(CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.4103494,False
20513,CC1(C)CC2CCC1CCN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.8084425,False
20514,CCCN(CC(=O)c1ccc(C(F)(F)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3924946,False
20515,CCCc1cccc2c1OCC(N(CC)Cc1ccc(N)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6368767,False
20516,CCN1CC2Cc3ccccc3CC(C1)C(N1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.59919846,False
20517,CCc1ccc(Br)c(C(=O)NCC2CCCN2SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.30602673,False
20518,CN1CCCC(CN2CCN(c3cccc(C#N)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.50652736,False
20519,COc1c[nH]cc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7734688,False
20520,COc1cccc(N2CCN(CC=CCNC(=O)c3cccc(F)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43970346,False
20521,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9094993,False
20522,COc1ccnc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4148934,False
20523,Cc1cccc(N2CCN(CC=CCNC(=O)c3c(Cl)cccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3795385,False
20524,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccc(Cl)cc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97410685,False
20525,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2ccc(OCCF)cc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9039431,False
20526,O=C(NCN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32908586,False
20527,O=C1N(CC2CCCCN2Cc2cccc(Cl)c2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.3774735,False
20528,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1csc2ccccc12,[*]N1CCN([*])C1=O,0.87731296,False
20529,O=C1N(c2cccc(Cl)c2)CCN1C1CCONC1,[*]N1CCN([*])C1=O,0.37344724,False
20530,O=C1N(c2cccs2)CCN1C1CCC2CCNCC2Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.3046063,False
20531,CC1OCCC1N1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.22357681,False
20532,CCCCC1CN(CCN2CCN(c3cccc(Cl)c3)C2=O)C2CC12,[*]N1CCN([*])C1=O,0.6325584,False
20533,CCCN(CCC)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7481431,False
20534,CCN1CCCC1CNC(=O)c1c(OC)ccc([SH](C)(=O)O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.89357644,False
20535,CCOc1ccc(O)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9002303,False
20536,CCc1ccc(C)c(C(=O)NCC2CCCN2F)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14253004,False
20537,CN1C2CCCC1CC(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.6937871,False
20538,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccc(C#Cc3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71435976,False
20539,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(OC)c3Cl)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4465535,False
20540,COc1cccc2c(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)csc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7540356,False
20541,N#CCOc1cccc(N2CCN(CC3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.44307113,False
20542,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89497846,False
20543,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91306317,False
20544,O=C(NCC=CCN1CCN(c2cccc3cc(O)ccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7665945,False
20545,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccc(Cl)cc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8219514,False
20546,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(CO)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9597656,False
20547,O=C1N(CCN2CCC3(CCCc4ccccc4C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.76282233,False
20548,O=C1N(CCN2CCc3ccccc32)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.51047605,False
20549,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.59071326,False
20550,O=C1N(c2ccc(F)c(Cl)c2)CCN1C(F)C1CCNCC1,[*]N1CCN([*])C1=O,0.2547761,False
20551,O=C1N(c2cccc(Cl)c2)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.35767958,False
20552,CC(C)(C)Oc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8600045,False
20553,CCCN(CCC)C1COc2c(cccc2-c2ccc(C)s2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6548359,False
20554,CCCN(Cc1ccc(OS(C)(=O)=O)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6578985,False
20555,CCCN(Oc1ccc(C(F)(F)F)cc1)C1COc2c(cccc2C(C)CC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.67127264,False
20556,CCN(Cc1ccccc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48685503,False
20557,CCN1CCN(CCN2CCN(Cc3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.52905446,False
20558,CCOc1c(C)ccc(CCCCCl)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14369388,False
20559,CCc1cccc2c1OCC(N(Cc1ccc[nH]1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.46145666,False
20560,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96211755,False
20561,COc1cccc(-c2ccc(N3CCN(CC=CCNC(C)=O)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36181903,False
20562,COc1ccccc1N1CCN(CC=CCNC(=O)OCC=Cc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7912,False
20563,COc1ccccc1N1CCN(CC=CCNC(=O)c2cn[nH]c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75492543,False
20564,Cc1cccc(CN2CCN(C3CCCOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.28860712,False
20565,Cc1ccccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)ccn1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42398953,False
20566,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3984429,False
20567,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1sc2ccccc2c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80857265,False
20568,O=C(O)c1c[nH]c2cccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8466645,False
20569,O=C1N(CCN2CC3CCCC(CC3)C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.7608862,False
20570,O=C1N(CCN2CCN(CCCl)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.84353316,False
20571,O=C1N(COCCN2CCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6320996,False
20572,CCCc1cccc2c1OCC(N(CC)CC(=O)c1ccccc1OC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3110971,False
20573,CCCc1cccc2c1OCC(N(CC)Cc1cc(C(F)(F)F)ccn1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.47517622,False
20574,CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1C=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18861242,False
20575,CCOc1c(N)ccc(SC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20094916,False
20576,CCc1ccc(OC)c(C(=O)NCC2CCCN2SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.29620466,False
20577,COc1c(C(=O)NCCN2CCN(Cc3ccccc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.2904588,False
20578,COc1cc(OC)c(OC)c(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6309817,False
20579,Cc1cc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)ccc1Cl,[*]N1CCN([*])C1=O,0.8145956,False
20580,Cc1ccc(CN(C)CN2CCN(c3ccccc3)C2=O)cn1,[*]N1CCN([*])C1=O,0.19508818,False
20581,Cc1ccc(CN2CCN(C3CCCNC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.2626572,False
20582,Cc1ccc(O)c(CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3431022,False
20583,N#Cc1cccc(N2CCN(CC(F)(F)c3cccs3)C2=O)c1,[*]N1CCN([*])C1=O,0.49021375,False
20584,O=C(NCC=CCN1CCN(c2cc3ccc(OCCF)cc3cc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.57773006,False
20585,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCN(c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34184897,False
20586,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]cc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.8468091,False
20587,O=C1N(CC(CF)N2Cc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4832774,False
20588,O=C1N(CC2CCCCCN2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.3965339,False
20589,O=C1N(CC2CCCCN(Cc3ccccc3)C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.51028544,False
20590,O=C1N(CCN2CCCC(C(F)(F)F)C2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.7860522,False
20591,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.6244801,False
20592,CC(C)c1ccc(N2CCN(C3CCCCN3Cc3cccc(Cl)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.23690927,False
20593,CC(NCCN1CCN(c2cccc(Cl)c2)C1=O)c1ccccc1,[*]N1CCN([*])C1=O,0.44303825,False
20594,CCCN(CO)C1COc2c(CCCN3C(=O)CC4(CCCC4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57507086,False
20595,CCCN(COC)C1COc2c(Cc3ccoc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5863931,False
20596,CCc1cccc2c1OCC(N(COC)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.29965904,False
20597,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1cccc2ccccc12,[*]N1CCN([*])C1=O,0.73611057,False
20598,CN1CCc2ccccc2CC2C1CCCN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6602143,False
20599,COCC1CCCN1CN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.3759779,False
20600,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(C(C)=O)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.40962774,False
20601,COc1c(C)cccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35387406,False
20602,COc1cc(Br)ccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5904329,False
20603,COc1cccc(N2CCN(CC=CCNC(=O)c3ccc(Cl)c(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40995497,False
20604,COc1cccc(Oc2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92186254,False
20605,Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)n1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82709116,False
20606,N#Cc1cccc(C2CCN(CCN3CCN(c4ccc5ccccc5c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.8924055,False
20607,O=C(NCC=CCN1CCN(c2cc(O)[nH]c2-c2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65562594,False
20608,O=C(NCC=CCN1CCN(c2cccc(-c3cccnc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5007317,False
20609,O=C1N(CCN2CCC(Cc3ccccc3)CC2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.76422083,False
20610,CC1(C)CC2CC(N3CCN(c4cccc(Cl)c4)C3=O)CCC1C2,[*]N1CCN([*])C1=O,0.43237647,False
20611,CCCN(c1ccc(OC)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5835409,False
20612,CCN(CC(C)C)C1COc2c(cccc2-c2ccncc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53898734,False
20613,CCN1CCCC1CNC(=O)c1c(COC)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9534412,False
20614,CCN1CCCC1CNC(=O)c1c(O)ccc(C)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.63719887,False
20615,CN(C)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8938531,False
20616,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cc(N)cc(Cl)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.47302604,False
20617,COc1ccc(OCCF)cc1C(=O)NCC=CCN1CCN(c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8991603,False
20618,COc1ccc2[nH]c(C(=O)NCC=CCN3CCN(c4ccccc4F)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.58064765,False
20619,COc1ccc2c(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c(O)[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83254355,False
20620,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cc(C)ccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33194828,False
20621,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(CO)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41409463,False
20622,COc1ccccc1N1CCN(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7039341,False
20623,COc1ccccc1N1CCN(CC=CCNC(=O)CCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74265116,False
20624,N#Cc1cccc(N2CCN(C3CCC(c4ccccc4F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.4553597,False
20625,Nc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4696449,False
20626,O=C(NCC=CCN1CCN(CNS(=O)(=O)c2ccc(F)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.27115306,False
20627,O=C(NCC=CCN1CCN(c2cc3cc(O)ccc3[nH]2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41659477,False
20628,O=C1N(CC2CCc3occc3C2O)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.49478087,False
20629,O=C1N(CCN2CCCCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5643821,False
20630,C=CCc1ccc(OC)c(C(=O)NCC2CCCN2CCCC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.45782784,False
20631,CC(C)N1CCN(C2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.32806098,False
20632,CC(c1cccc([N+](=O)[O-])c1)N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.47992468,False
20633,CCCCN(CC)C1COc2c(cccc2N2C(=O)CC(C)(C)CC2=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45215407,False
20634,CCCN(O)C1COc2c(CCC(F)(F)F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5997281,False
20635,CCCc1cccc2c1OCC(N(CC)CC(C)(C)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6513152,False
20636,CCN(CC=O)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.44581407,False
20637,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccc(Cl)cc3)c[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46083388,False
20638,COCC1Cc2ccccc2C1N1CCN(c2cccc(OC)c2)C1=O,[*]N1CCN([*])C1=O,0.49431267,False
20639,COc1cccc(-c2cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc2C)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8607451,False
20640,COc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3Cl)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7102757,False
20641,COc1cccc(N2CCN(CNCc3ccc(C)s3)C2=O)c1,[*]N1CCN([*])C1=O,0.25563365,False
20642,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3csc(N)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93649,False
20643,C[N+](C)([O-])c1sccc1CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.6424832,False
20644,N#Cc1cccc(CNCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.36001915,False
20645,O=C(NCC=CCN1CCN(c2ccc(Cl)c(OCCF)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51534027,False
20646,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(F)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.950046,False
20647,O=C1N(CCN2Cc3ccccc3C2)CCN1C1=CCc2ccsc2C=C1,[*]N1CCN([*])C1=O,0.7639913,False
20648,CC1(C)CCN(CCN2CCN(c3ccc(F)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.73355335,False
20649,CCCCN1CCCC1CNC(=O)c1c(Br)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5270504,False
20650,CCCN(COC)C1COc2c(CC(=O)[O-])cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43993336,False
20651,CCCN1CCCC1CNC(=O)c1c(OC)ccc(Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.51483023,False
20652,CCN(C)CCN1CCN(Cc2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.45100164,False
20653,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3852924,False
20654,COc1ccccc1C(=O)NCC=CCN1CCN([N+]([O-])c2ccc([N+](=O)[O-])cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.21820702,False
20655,Cc1ccc(N2CCN(C3CCOOC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.17402272,False
20656,Cc1ccc(N2CCN(C3COOC3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.18892182,False
20657,Nc1c(C(=O)NCCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7032322,False
20658,O=C(NCC=CCN1CCN(Oc2ccc3c[nH]c(O)c3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28444803,False
20659,O=C(NCC=CCN1CCN(c2ccc(-c3cncs3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46160504,False
20660,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(O)c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89988595,False
20661,O=C(NCC=CCN1CCN(c2sccc2OCCF)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40617794,False
20662,O=C1N(C2COc3ccccc3C2)CCN1C1CCc2ccsc2C1,[*]N1CCN([*])C1=O,0.3991909,False
20663,O=C1N(CC2CCCCC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.41969,False
20664,O=C1N(CC2CCCN(Cc3ccccc3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.65251637,False
20665,O=C1N(CC2NCCC2O)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.37035543,False
20666,O=C1N(CCNC2CCc3sccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.58657736,False
20667,O=C1N(CN2CCCC(Cc3ccccc3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.56716007,False
20668,C=CCOc1c(CC)ccc(CCCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24763887,False
20669,CC(C)CN1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.3022648,False
20670,CCCCN(CC)C1COc2c(cccc2Oc2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5691656,False
20671,CCc1cccc2c1OCC(N(CC(C)C)c1cccc3ccccc13)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3144163,False
20672,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2c(C)cccc2Cl)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35235032,False
20673,COc1cccc(C(C)N2CCCCC2CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.63669753,False
20674,COc1cccc(N2CCN(CCN3CCC(C)(C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8256063,False
20675,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccccc3)ccc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5200491,False
20676,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cccc(O)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43683973,False
20677,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ncccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.416581,False
20678,Cc1cc2c(s1)CCC(N1CCN(c3ccccn3)C1=O)C2,[*]N1CCN([*])C1=O,0.38548166,False
20679,Cc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.29509982,False
20680,Cc1cccc(N2CCN(CC=CCNC(=O)c3coc4ccccc34)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30297408,False
20681,O=C(Cc1ccc(-c2cccc(O)c2)cc1)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75805354,False
20682,O=C1N(CC2CNCCC2c2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6858541,False
20683,O=C1N(CCN2CC3CCc4ccccc4CC2CC3)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.53836834,False
20684,O=C1N(CCNCc2ccncc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.45969898,False
20685,O=C1N(COCC2Cc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.55721,False
20686,O=C1N(Cc2ccccc2)CCN1CN1CCCC(CO)C1,[*]N1CCN([*])C1=O,0.4020544,False
20687,CC1CCCN(C)C1N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.3722598,False
20688,CCCN(F)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6313493,False
20689,CCCc1ccc(Br)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2729305,False
20690,CCN1CCCC1CNC(=O)c1c(C)ccc(S[O-])c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6004935,False
20691,CCc1ccc(Br)c(OOC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22960037,False
20692,CCc1ccc(Cl)c(OOC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21928433,False
20693,CCc1ccc(OC)c(O[SH](C)O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27924046,False
20694,COC(=O)Nc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7400742,False
20695,COCC1c2ccccc2CN1CCN1CCN(c2cccc(OC)c2)C1=O,[*]N1CCN([*])C1=O,0.7413353,False
20696,COc1ccc(OCCF)c(N2CCN(CC=CCNC(=O)c3c(F)cccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43317252,False
20697,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8972976,False
20698,COc1cccc(CN(C)CCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.6476921,False
20699,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Br)ccc2[N+](=O)[O-])CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7437392,False
20700,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ncc[nH]3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89676386,False
20701,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(OCCF)c(N)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96415126,False
20702,C[N+](=O)c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42200586,False
20703,N#Cc1ccc2c(c1)N(CCN1CCN(c3ccccc3Cl)C1=O)CC2,[*]N1CCN([*])C1=O,0.46037656,False
20704,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(O)nc3)cc2)CC1)c1cccc(Cl)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5931745,False
20705,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cncnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91491157,False
20706,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(Cl)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.689481,False
20707,O=C1N(Cc2cc3ccccc3s2)CCN1c1cccc2c1OCC2,[*]N1CCN([*])C1=O,0.29281676,False
20708,O=C1N(c2ccccc2)CCN1c1ccc2c(c1)CNCC2,[*]N1CCN([*])C1=O,0.29330492,False
20709,CC(C)N1CCN(CCN2CCN(c3ccc(C(C)(C)C)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7856415,False
20710,CCCCc1ccc(OSC)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23062086,False
20711,CCN1CCCC1CNC(=O)c1c(Br)ccc(F)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8231891,False
20712,CCN1CCCC1CNC(=O)c1c(C)ccc(F)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.61574113,False
20713,CCN1CCN(CCN2CCN(C(C)C)CC2)C1=O,[*]N1CCN([*])C1=O,0.5174247,False
20714,CCOc1ccc(CC)c(OC)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2079209,False
20715,CN1CCC(Cc2ccc(N3CCN(Cc4ccc(Cl)cc4)C3=O)cc2)CC1,[*]N1CCN([*])C1=O,0.48104766,False
20716,CN1CCN(C2CCCCN2C)C1=O,[*]N1CCN([*])C1=O,0.27790588,False
20717,CN1CCN(CCN2CCN(c3cccs3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6092826,False
20718,COc1c[nH]c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9610294,False
20719,COc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2ccccc2OCc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8816946,False
20720,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(N(C)C)cc3)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34786794,False
20721,Cc1cccc(C(C)N2CCN(CC3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.37483686,False
20722,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)C(O)c1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8810249,False
20723,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)OCc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7941545,False
20724,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1CCO,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96289945,False
20725,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccno2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94063896,False
20726,O=C1N(CC2CC3CCC(C2)N3Cc2cccc(F)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.65224606,False
20727,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.78734934,False
20728,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.8865336,False
20729,O=C1N(CCOC2Cc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.711656,False
20730,O=C1N(Cc2snc3ccccc23)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.41990826,False
20731,CCCN(CCC)C1COc2c(cccc2-c2ccn[nH]2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6310581,False
20732,CCCN(CCc1ccoc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7347044,False
20733,CCCN(CO)C1COc2c(CCCN3C(=O)CC4(CCCC4)C3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5200047,False
20734,CCCc1cccc2c1OCC(N(COC)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.34664685,False
20735,CCN1CCN(c2cc(F)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.2915415,False
20736,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2ccccc2N)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7812145,False
20737,COc1cc(C)ccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8521022,False
20738,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4F)CC3)o2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59167016,False
20739,COc1ccc(Cl)cc1S(=O)C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82992244,False
20740,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44726083,False
20741,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4473221,False
20742,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3cc[nH]c3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3635316,False
20743,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(O)nc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92307675,False
20744,Cc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8398855,False
20745,Cc1cccc(N2CCN(CC3CCCC(OCc4ccccc4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.46066186,False
20746,O=C(NCC=CCN1CCN(c2ccc(CCF)cc2)CC1)c1ccccc1CO,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44863045,False
20747,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1-c1cccc(O)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87180114,False
20748,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1csc(Br)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84577465,False
20749,O=C1N(CC(F)(F)F)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.35336432,False
20750,O=C1N(CC(F)(F)N2Cc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.51997113,False
20751,O=C1N(CCN2CC3CCc4ccccc4CC(C3)C2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.43740436,False
20752,O=C1N(CCN2COCC3CC4CCC3CCC2CC4)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.56829864,False
20753,O=Cc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89073753,False
20754,CC(C)N1CCCN(CCN2CCN(c3cc4ccccc4o3)C2=O)CC1,[*]N1CCN([*])C1=O,0.70669055,False
20755,CC1CCCN(CCN2CCN(Cc3ccccc3F)C2=O)C1,[*]N1CCN([*])C1=O,0.44121188,False
20756,CCCCN(C)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6036132,False
20757,CCCN(C)CCN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.6525088,False
20758,CCCN(CCC)C1COc2c(cccc2S(=O)(=O)C(=O)c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48357856,False
20759,CCCc1cccc2c1OCC(N(CCC)C(F)(F)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.61684895,False
20760,CCOc1cccc(N2CCN(c3cccc(OC)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.27546057,False
20761,CCc1ccc(OC)c(C(=O)NCC2CCCN2C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27705163,False
20762,COCC1CC2CCC1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.79802465,False
20763,COCC1CCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.8498261,False
20764,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8856613,False
20765,COc1cccc(N2CCN(Cc3cccc(C)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3755913,False
20766,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4ccccn4)CC3)oc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3682275,False
20767,N#Cc1cccc(CN2CCN(CN3CCN(Cc4ccccc4Cl)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.532413,False
20768,O=C(NCC=CCN1CCN(c2cc3ccc([O-])cc3[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3643536,False
20769,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1)c1cc2ccccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6592373,False
20770,O=C(NCC=CCN1CCN(c2ccc(OCc3ccccc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44427624,False
20771,O=C1N(CCN2CCCCCC2)CCN1c1cccc2ccsc12,[*]N1CCN([*])C1=O,0.65363485,False
20772,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc(F)ccc1F,[*]N1CCN([*])C1=O,0.8541834,False
20773,O=C1N(CCc2cccs2)CCN1C1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.42897525,False
20774,CC(C)N(CC1CCC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51310647,False
20775,CC1(C)CC2CCC(C1)N2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.8049934,False
20776,CCN1CCC(CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6659288,False
20777,CCc1ccc([SH](C)(=O)O)c(OCl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20574489,False
20778,CN(Cc1ccc(F)cc1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4510544,False
20779,CN1CCCCC1N1CCN(c2cscc2-c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.3181806,False
20780,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2C(O)(F)F)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.423302,False
20781,COc1ccc(C(=O)NCC=CCN2CCN(C(=O)c3cc4cccc(O)c4[nH]3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.11629353,False
20782,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c2cccc-2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92433256,False
20783,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86145145,False
20784,COc1cccc(C2CCCCN2CCN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.4832801,False
20785,N#Cc1ccc2c(c1)CCN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6000846,False
20786,O=C(CN1CCN(Cc2cccc(Cl)c2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.17904004,False
20787,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)c1ccccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.4347029,False
20788,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc[nH]c1-c1ccc(Br)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84424275,False
20789,O=C1N(CC2CCCc3ccccc3C2O)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.42067686,False
20790,O=C1N(CCN2CCCC(OC(F)(F)F)CC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.7203242,False
20791,O=Cc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93790305,False
20792,C=CCc1ccc(C)c(C(=O)NCC2CCCN2CCCC)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.34779733,False
20793,CC1CC2CCCCC2(CN(C)CN2CCN(C(C)c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.36883065,False
20794,CCCCN(c1ccc(-c2ccccc2)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51707876,False
20795,CCCN(CC)C1COc2c(cccc2-c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7520987,False
20796,CCOc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3583449,False
20797,CCc1ccc(C)c(OC=O)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1519919,False
20798,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(C)[nH]2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38529488,False
20799,COc1ccc(F)c(C(=O)NCC=CCN2CCN(c3ccc(-c4ccccc4)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40172455,False
20800,COc1ccccc1C(=O)NCC=CCN1CCN(C2COc3ccccc3C2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28445244,False
20801,COc1ccccc1N1CCN(CC=CCNC(=O)CNC(=O)c2cccc(C#N)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81915873,False
20802,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9635756,False
20803,COc1ccccc2c(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cnc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8196126,False
20804,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3O)nc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46018556,False
20805,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1OC(F)(F)F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88458586,False
20806,O=C(NCC=CCN1CCN(c2cccc3c(=O)[nH]c4ccccc4c23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.678665,False
20807,O=C1N(CC2CCCCN2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.531005,False
20808,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccccc1CCl,[*]N1CCN([*])C1=O,0.85607,False
20809,O=C1N(CNCCc2cc3ccccc3s2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.25616032,False
20810,O=C1N(CNCc2cccc(Cl)c2)CCN1C1CCOC1,[*]N1CCN([*])C1=O,0.26565647,False
20811,C=S(=O)(O)Oc1c(OC)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20322964,False
20812,CC(=O)ON1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.27409932,False
20813,CC(C)c1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7113041,False
20814,CC1(C)Cc2ccccc2N1CCN1CCN(C2COCO2)C1=O,[*]N1CCN([*])C1=O,0.39950573,False
20815,CCCN(CC)C1COc2c(CCCN3C(=O)CC4(CCCC4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.59845483,False
20816,CCCN(c1ccsc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56900096,False
20817,CCc1ccc(Cl)c(C(=O)NCC2CCCN2S)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2525233,False
20818,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2Cc2ccc([N+](=O)[O-])cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35560468,False
20819,COc1ccccc1C(=O)NCC=CCN1CCN(c2[nH]c(O)cc2-c2ccc(F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32947895,False
20820,Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9040737,False
20821,Cc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3423345,False
20822,Cc1cccc(N2CCN(CC3Cc4ccccc4CC4CN(Cc5ccccc5)C4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.43597224,False
20823,Cc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8118741,False
20824,O=C(NCC=CCN1CCN(c2cc(O)ccc2OCCF)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60190177,False
20825,O=C(NCC=CCN1CCN(c2cc3ccccn3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47419372,False
20826,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1OCC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7793753,False
20827,O=C1N(CCN2CC3CCc4ccccc4CC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.75694406,False
20828,O=C1N(Cc2ccc3ccccc3c2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.28957143,False
20829,O=C1N(c2ccc3ccccc3c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.28532445,False
20830,CC(C)Oc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88486165,False
20831,CC(CN1Cc2ccccc2C1)N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4572401,False
20832,CC1(C)CCC2CC(C1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.84093434,False
20833,CC1CC2(C)CCC(CNCN3CCN(c4cccc(Cl)c4)C3=O)(C1)C2(C)C,[*]N1CCN([*])C1=O,0.4975627,False
20834,CC1CCCC(CN2CCN(c3cccc(C(C)C)c3)C2=O)N1,[*]N1CCN([*])C1=O,0.45759225,False
20835,CC1CCCN(CCN2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.69848263,False
20836,CC1COCCN1CCN1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.5529086,False
20837,CCCN(CCC)C1COc2c(cccc2-c2ccc([N+](=O)[O-])cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6621959,False
20838,CCN(C)CCN1CCN(c2ccc3c(c2)OCO3)C1=O,[*]N1CCN([*])C1=O,0.5473527,False
20839,CN1CC(CN2CCN(c3ccccc3)C2=O)CCC1(C)C,[*]N1CCN([*])C1=O,0.51656073,False
20840,CN1CCCC(N2CCN(c3cccc(F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.37290466,False
20841,COc1ccc(Oc2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92261136,False
20842,COc1ccccc1C(=O)NCC=CCN1CCN(NC(=O)C2c3ccccc3-c3ccccc32)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.24697183,False
20843,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(OCCF)ccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5514994,False
20844,Cc1cccc(N2CCN(CC3Cc4ccccc4CN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.51900554,False
20845,Nc1cccc(N2CCN(CC=CCNC(=O)c3ccccn3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5102872,False
20846,O=C(NCC=CCN1CCN(c2ccc(-c3cc(F)no3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46601164,False
20847,O=C(NCC=CCN1CCN(c2ccc(-c3ccc[nH]3)nc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4768499,False
20848,O=C(NCC=CCN1CCN(c2cccnc2-c2ccc(O)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6988832,False
20849,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(F)c(F)c1,[*]N1CCN([*])C1=O,0.86116767,False
20850,O=C1N(c2ccc(Cl)cc2Cl)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.26661026,False
20851,CC(C)Oc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(CCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88718385,False
20852,CC(C)c1sccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.86627114,False
20853,CCCOc1c(S)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.68126416,False
20854,CCOc1c(OC)ccc(CCCS)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27236682,False
20855,CCc1ccc(CCCCl)c(C(=O)NCC2CCCN2Cl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2557477,False
20856,CCc1cccc2c1OCC(N(CC(C)C)OC(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4754981,False
20857,CCc1cccc2c1OCC(N(F)CC(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5082739,False
20858,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2Cc2cc[nH]c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38551357,False
20859,COc1c(C(=O)NCCN2CCN(c3ccsc3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.834901,False
20860,Cc1c[nH]nc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35733983,False
20861,Cc1cccc(N2CCN(CCN(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.58798724,False
20862,Cc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69078237,False
20863,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(Cl)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8841178,False
20864,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccc(Cl)cc2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8831525,False
20865,O=C(NCCN1CCN(c2cccc(Cl)c2)CC1)c1cc(Br)c2ccccc2c1CO[O-],[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.76045257,False
20866,O=C(Nc1cccc(C(F)(F)F)c1)N1CCN(Cc2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.11097811,False
20867,O=C1N(C2CCCCC2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.18220045,False
20868,O=C1N(CCN2CCC3CCC2C(O)c2ccccc2C3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5524,False
20869,O=C1N(c2cccc(Cl)c2)CCN1C1CCOCC1,[*]N1CCN([*])C1=O,0.3618092,False
20870,O=C1NCCC1N1CCN(Cc2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.36627242,False
20871,CC(C)(C)N1CCN(CCN2CCN(c3cccc(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.78745496,False
20872,CC1c2ccccc2CN1CCN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.73062944,False
20873,CCCCN(Oc1ccsc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57614356,False
20874,CCCCc1ccc(Br)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.83723396,False
20875,CCCCc1ccc(C)c(OCCC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1592355,False
20876,CCCN(CCCCN1CC(=O)c2ccccc2C1=O)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5333495,False
20877,CCN1Cc2sccc2CCC1N1CCN(Cc2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.43486026,False
20878,CCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16477048,False
20879,CCOc1ccc(CC)c(OC)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23199244,False
20880,CN(C)c1ccc(N2CCN(CC=CCNC(=O)c3ccccn3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41939276,False
20881,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(Oc4ccccc4)cc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3194766,False
20882,COc1ccc(C)cc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78144246,False
20883,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C(C)(C)C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96317035,False
20884,Cc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)nc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8927637,False
20885,Cc1ccc(CN2CCN(c3cccc(Cl)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.4117923,False
20886,Cc1ccc(Cl)cc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38457006,False
20887,O=C(NCC=CCN1CCN(NCCOc2ccc(F)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28298926,False
20888,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(Cl)c3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47251132,False
20889,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)o2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43079388,False
20890,O=C1N(CCn2cccc2)CCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.4609489,False
20891,O=C1N(Cc2ccc(F)cc2)CCN1CC1CC1,[*]N1CCN([*])C1=O,0.42139092,False
20892,CC12CC(Cc3ccccc3O1)CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C(C)(C)C2,[*]N1CCN([*])C1=O,0.55408907,False
20893,CCCCN(CCC)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6625398,False
20894,CCCc1cccc2c1OCC(N(CC)CC(O)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.47131407,False
20895,CCCc1cccc2c1OCC(N(CC)CS(=O)(=O)c1cccc(OC(F)(F)F)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3527803,False
20896,CCN(C)CCN1CCN(c2cccc(OC)c2)C1=O,[*]N1CCN([*])C1=O,0.7433722,False
20897,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88518625,False
20898,COc1cc(-c2ccccc2)ccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.62810284,False
20899,COc1ccc(Br)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91038257,False
20900,COc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3O)CC2)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7610298,False
20901,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc([N+](=O)[O-])nc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38615504,False
20902,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)COC3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90966856,False
20903,COc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C=O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8730031,False
20904,Cc1ccc(N2CCN(CCN3CCN(CC#N)C3=O)CC2)cc1,[*]N1CCN([*])C1=O,0.5906499,False
20905,O=C(NCC=CCN1CCN(c2ccc3nc(O)ccc3c2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49918428,False
20906,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ncc(O)[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93440574,False
20907,O=C(NCC=CCN1CCN(c2csc(-c3ccc(F)cc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4345657,False
20908,O=C1N(CC2CC(c3ccc(Cl)cc3)CCN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6604251,False
20909,O=C1N(CC2CNc3ccccc3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.51718545,False
20910,CC1(CN2CCN(c3cccc(Cl)c3)C2=O)CCc2ccccc21,[*]N1CCN([*])C1=O,0.51292574,False
20911,CC1CCC2CC2NC(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.6165124,False
20912,CCCN(CCC)C1COc2c(cccc2C(=O)c2ccc(C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51305926,False
20913,CCOc1c(Cl)ccc(CC)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18300815,False
20914,CN(C)CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.5231576,False
20915,COCC1CCCCN1CN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.29285213,False
20916,COOc1c(C)ccc(C)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.12935294,False
20917,COc1c(C(=O)NCCN2CCN(O[N+](=O)c3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.48785976,False
20918,COc1cc(Br)cc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7967673,False
20919,COc1cccc(N2CCN(CCN3CC4(CN(C)C)CCC3CC(C)C4)C2=O)c1,[*]N1CCN([*])C1=O,0.59109366,False
20920,COc1cccc(N2CCN(CCN3CCc4ccsc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7319756,False
20921,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(-c3ccccc3)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38614905,False
20922,O=C(NCC=CCN1CCN(c2cc(F)cs2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37238106,False
20923,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(OCF)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91105586,False
20924,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2ccco2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83428746,False
20925,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc(-c2ccsc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8695232,False
20926,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93776613,False
20927,O=C(NCC=CCN1CCN(c2sc3ccccc3c2Cl)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43011114,False
20928,O=C1N(CCCC2OCC3CCCC2C3)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.4289117,False
20929,O=C1N(CCNc2csc3ccccc23)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.34573296,False
20930,C=CCN(CCC)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.72239614,False
20931,CC(=O)CN(C(C)C)C1COc2c(cccc2C2CC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2696168,False
20932,CC1(C)CCN(CCN2CCN(Cc3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.66072077,False
20933,CC1CCCCCN1CCN1CCN(Cc2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.3706507,False
20934,CC1CCCN(CCN(C(C)C)C2COc3c(O)cccc3C2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.50544137,False
20935,CCCCN(CCN1CCC2(CNC(=O)C2)CC1=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5317913,False
20936,CCCCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OCOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6476076,False
20937,CCCN(CCC)C1COc2c(cccc2-c2cc(C(F)(F)F)ccc2O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.738754,False
20938,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1cccnc1,[*]N1CCN([*])C1=O,0.74755555,False
20939,CN(c1ccccc1)c1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88766646,False
20940,COc1c(Br)cccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92310286,False
20941,COc1ccc2c(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)ccnc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52700204,False
20942,COc1cccc(C(C)CN2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.7248788,False
20943,COc1cccc(CN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.38236266,False
20944,COc1ccccc1C(=O)NCC=CCN1CCN(c2cncc(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48100507,False
20945,Cc1cc(N2CCN(CC=CCNC(=O)c3c(Cl)cccc3Cl)CC2)ccc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.359006,False
20946,O=C(NCC=CCN1CCN(c2ccc3ccccc3c2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53603345,False
20947,O=C(NCC=CCN1CCN(c2ccccc2O)CC1)c1cccs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7225342,False
20948,O=C1N(Cc2ccccc2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.40159154,False
20949,O=C1N(Cc2ccsc2)CCN1Cc1cccs1,[*]N1CCN([*])C1=O,0.35194445,False
20950,O=C1N(c2cccc(Cl)c2)CCN1c1cccc(OCC2CCCCN2)c1,[*]N1CCN([*])C1=O,0.46258092,False
20951,C=Cc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85825884,False
20952,CC1CCCN(CCN2CCN(c3cccc(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.91424996,False
20953,CC1c2ccccc2CN1C(=O)CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.2738272,False
20954,CCCCN(C1COc2c(CC)cccc2C1)C(C)(O)c1ccccc1,[*]CN([*])C1COc2c([*])cccc2C1,0.33282655,False
20955,CCCN(CCC)C1COc2c(cccc2-c2coc(C(=O)O)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.60904217,False
20956,CCCN(Cc1ccsc1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6976186,False
20957,CCCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OSC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.64381707,False
20958,CCCc1cccc2c1OCC(N(CC)CCC(=O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4123277,False
20959,CCc1cccc2c1OCC(N(CC)c1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.45499432,False
20960,CN(Cc1ccc(Cl)cc1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.50668585,False
20961,COc1cccc(N2CCN(CCN3CCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.5578232,False
20962,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccncc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9632018,False
20963,Cc1cc(N2CCN(CC3CCCCN3)C2=O)ccc1Cl,[*]N1CCN([*])C1=O,0.44014078,False
20964,Cc1ccc(N2CCN(c3ccc4c(c3)Cc3ccccc3C(C)CNC4)C2=O)cc1,[*]N1CCN([*])C1=O,0.37757108,False
20965,O=C(NCC=CCN1CCN(c2c[nH]c3ncccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52548885,False
20966,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(Cl)ccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8956547,False
20967,O=C1N(CC2CCCCc3ccccc32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5899266,False
20968,O=C1N(CCN2CCN(Cc3cccc(Cl)c3)CC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.72365284,False
20969,O=C1N(Cc2cccc(OC3CCCCC3)c2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.3905403,False
20970,O=C1N(c2cccc(C(F)(F)F)c2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.32839572,False
20971,CCCCc1cccc2c1OCC(N(CO)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.50719994,False
20972,CCCN(CCC)C1COc2c(cccc2-c2cc(C(F)(F)F)nn2C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5982015,False
20973,CCCN(CCC1CCN(C(C)=O)C(=O)C1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46261805,False
20974,CCCc1cccc2c1OCC(N(CC)C(=O)OC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3813426,False
20975,CN(CCN1CCN(Cc2cccc(Cl)c2)C1=O)CC12CCCCC1CC2,[*]N1CCN([*])C1=O,0.50044537,False
20976,CN1CCCCCC1CN1CCN(Cc2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.36458582,False
20977,CNc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38205764,False
20978,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2sccc2[N+](=O)[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35209423,False
20979,COc1c(C(=O)NCCN2CCN(c3cccc[s+]3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.84629196,False
20980,COc1c(C(=O)NCCN2CCN(c3ccn(C)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.83257514,False
20981,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)oc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84146804,False
20982,COc1ccccc1N1C=CC=CC=C1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82980037,False
20983,COc1ccsc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8979159,False
20984,O=C(NCC=CCN1CCN(c2cc(Br)ccc2OCCF)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55362064,False
20985,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccc(F)cc2)cs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9226472,False
20986,O=C1N(CCN2CCC(CF)CC2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.7077079,False
20987,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(F)ccc1Cl,[*]N1CCN([*])C1=O,0.84260494,False
20988,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccccc1OC(F)(F)F,[*]N1CCN([*])C1=O,0.7985253,False
20989,O=C1N(CN2CCCCCC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.36179945,False
20990,O=C1N(c2ccccc2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.23851976,False
20991,CC(C)N(CO)C1COc2c(CC3CC3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45059037,False
20992,CCCN(CC(=O)c1ccc(Cl)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40364277,False
20993,CCCc1cccc2c1OCC(N(CCC)C(=O)c1c[nH]c3ccccc13)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.39126185,False
20994,CCN(CC(=O)c1ccoc1)C1COc2c(CC(C)C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.28139567,False
20995,CCN(CCN1CCN(c2cccc(Cl)c2)C1=O)C1CCCCC1,[*]N1CCN([*])C1=O,0.75202215,False
20996,CCN(Cc1ccc(Br)cc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5629023,False
20997,CN(C)CCN1CCN(c2cccs2)C1=O,[*]N1CCN([*])C1=O,0.32270333,False
20998,CN(CCN1CCN(c2cccc(C#N)c2)C1=O)Cc1ccccc1,[*]N1CCN([*])C1=O,0.7052159,False
20999,CN1CCCCC1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.8059095,False
21000,COC(C)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4667416,False
21001,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cn2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88284767,False
21002,COc1cccc(CN(C)CN2CCN(Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.3955721,False
21003,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3cccc(OCCF)c3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38421392,False
21004,COc1ccccc1N1CCN(CC=CCNC(=O)Cc2ccc(-c3ccccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.831885,False
21005,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3ccc(O)nc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90955245,False
21006,Cc1ccc(N2CCN(CC34CCC(CC3)C4(C)C)C2=O)cc1,[*]N1CCN([*])C1=O,0.3127987,False
21007,N#Cc1cccc(N2CCN(CC(=O)N3CCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.18120384,False
21008,O=C(NCC=CCN1CCN(c2cccc(Oc3ccccc3)n2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4598369,False
21009,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cc[nH]c2O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93620783,False
21010,O=C1N(CC2CCCCNC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.47030705,False
21011,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc2ccccc12,[*]N1CCN([*])C1=O,0.82968056,False
21012,O=C1N(Cc2cccc(Cl)c2)CCN1C1CCC(c2ccccn2)CC1,[*]N1CCN([*])C1=O,0.37924036,False
21013,CCCN(CCC)C1COc2c(cccc2-c2cc(C(C)=O)cs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.59581935,False
21014,CCCc1cccc2c1OCC(N(Cc1ccoc1)C1CCCC(=O)C1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.39844948,False
21015,CCN(CC(C)C)C1COc2c(cccc2C(=O)c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3045292,False
21016,CCOc1c(OC)ccc(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.26219678,False
21017,CCOc1cc(Cl)ccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7233072,False
21018,CCc1ccc(O)c(OOC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2411045,False
21019,CN1CCc2cccc(N3CCN(c4ccc5ccccc5c4)C3=O)c21,[*]N1CCN([*])C1=O,0.44396695,False
21020,COc1c(C(=O)NCCN2CCN(C=Nc3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4491575,False
21021,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(F)ccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6440248,False
21022,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(Cl)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87052196,False
21023,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc([N+](=O)[O-])n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80291307,False
21024,Cc1cccc(N2CCN(CCN3Cc4ccccc4C(C)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.80526155,False
21025,N#Cc1cccc(N2CCN(CCOCC3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.6157418,False
21026,O=C(NCC=CCN1CCN(c2ccccc2O)CC1)c1cccc(Cl)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.855416,False
21027,O=C1N(CC23CCNCC(CC2)C3Cc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.54521644,False
21028,O=C1N(CCN2Cc3ccccc3C2c2ccccc2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.60857695,False
21029,O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1C1CCOCC1,[*]N1CCN([*])C1=O,0.38629273,False
21030,O=C1N(Cc2cccc(Cl)c2)CCN1C1CCc2ccsc2CC1,[*]N1CCN([*])C1=O,0.51980007,False
21031,O=C1N(c2ccccc2Cl)CCN1C1CCCc2sccc2C1,[*]N1CCN([*])C1=O,0.29939565,False
21032,CCCCN(C(=O)c1ccc2ccccc2c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.22886892,False
21033,CCCN(c1ccc(F)cc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5768313,False
21034,CCN(CO)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53451246,False
21035,CCSN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.13887163,False
21036,COC(=O)C1CCCCN1CCN1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.35625187,False
21037,COCC1CC2CC(C1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.8477513,False
21038,COCC1CCc2cc(N3CCN(c4cccc(C#N)c4)C3=O)ccc2N1,[*]N1CCN([*])C1=O,0.5353986,False
21039,COc1c(C(=O)NCCN2CCN(C3=CC=C[N+](C)C(=O)C=C3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7386937,False
21040,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc4c(c3)CCc3ccccc3-4)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40417027,False
21041,COc1ccc2sc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8851589,False
21042,Cc1ccc(OCCF)c(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7520591,False
21043,N#CC(F)(F)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.9226929,False
21044,O=C(COCc1ccccc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76561344,False
21045,O=C(NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2)CC1)c1ccc(Cl)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4827858,False
21046,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccc(Br)cc2)[nH]n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89536506,False
21047,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cnco2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9103207,False
21048,O=C1N(c2cccc(C(F)(F)F)c2)CCN1C1CCc2ccsc2C1,[*]N1CCN([*])C1=O,0.3457172,False
21049,CC1(C)CC2CN(CCN3CCN(c4cccc(O)c4)C3=O)CC(C1)C2(C)C,[*]N1CCN([*])C1=O,0.6756822,False
21050,CC1Oc2ccc(CN3CCN(C)C3=O)cc2[S+]([O-])c2ccccc21,[*]N1CCN([*])C1=O,0.39323348,False
21051,CCCCN(CC)C1COc2c(cccc2N2C=C(C(F)(F)F)C(=O)CC2=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37765074,False
21052,CCN1CCCC1CNC(=O)c1c(Br)ccc(NC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.86662245,False
21053,CCOc1c(OC)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20051812,False
21054,CCc1ccc(SC)c(C(=O)NCC2CCCN2O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1821281,False
21055,CN(C)c1cccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3700894,False
21056,CN1CCN(Cc2cc3ccccc3s2)C(N2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.42728832,False
21057,COc1ccc(Br)cc1N1CCN(CC=CCNC(=O)c2cccc(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5649419,False
21058,Cc1cccc(C2CNCCC2N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.35058713,False
21059,Cc1cccc(N(C)CCN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.7107211,False
21060,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(CF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9619391,False
21061,O=C(NCCN1CCN(CO)CC1)c1cc(Br)c2ccccc2c1-c1ccccc1Cl,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.46089602,False
21062,O=C1N(CCN2CCCC(c3ccccn3)C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.64902586,False
21063,O=C1N(CCN2CCCCCC2)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.5959339,False
21064,O=C1N(CCc2ccccc2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.3870566,False
21065,O=C1N(CNCC2CCC3CCC(C3)C2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.27058792,False
21066,O=C1N(Cc2cccc(F)c2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.3166449,False
21067,CC1Cc2ccccc2N1CCN1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.5507585,False
21068,CCCCN(CC)C1COc2c(cccc2-c2ccc[nH]2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5180013,False
21069,CCCCN(OC)C1COc2c(CCCN3C(=O)CC(C)(C)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5598162,False
21070,CCCN(C)CCN1CCN(c2cccs2)C1=O,[*]N1CCN([*])C1=O,0.4705863,False
21071,CCCN(O)C1COc2c(CCCNC(C)=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42489803,False
21072,CCCN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.52460617,False
21073,CCCc1cccc2c1OCC(N(CC)Cc1ccc(C(C)(C)O)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.51750475,False
21074,CCCc1cccc2c1OCC(N(CO)CCN1C(=O)CC3(CCCC(=O)C3)CC1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.45354635,False
21075,CCOc1c(C=O)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22367743,False
21076,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3c(c2)C(=O)c2cccc(O)c2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42792222,False
21077,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccccc3)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95105433,False
21078,Cc1cc(CNCCN2CCN(c3cccc(Cl)c3)C2=O)ccn1,[*]N1CCN([*])C1=O,0.3657476,False
21079,Cc1cccc(N2CCN(Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.35700572,False
21080,N#Cc1cccc(N2CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C2=O)c1,[*]N1CCN([*])C1=O,0.765682,False
21081,O=C(NCC=CCN1CCN(c2cc(OCCF)cs2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4269515,False
21082,O=C(NCC=CCN1CCN(c2ccc(F)cc2Cl)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5693755,False
21083,O=C(NCC=CCN1CCN(c2cccc(CO)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45176986,False
21084,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(Cl)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9772441,False
21085,O=C(NCC=CCN1CCN(c2ccccc2-c2ccc(Cl)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8385495,False
21086,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7488614,False
21087,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)C(=O)NCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7674105,False
21088,CCCCN(CC)C1COc2c(cccc2C(=O)c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4239925,False
21089,CCCCN(O)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5367991,False
21090,COc1ccc(Cl)c(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8061871,False
21091,COc1ccccc1C(=O)NCC=CCN1CCN(C=Cc2ccc(O)c(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28403032,False
21092,COc1ccccc1N1CCN(CC=CCNC(=O)N(CCF)C2Cc3cccc(OC)c3C2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.817222,False
21093,N#Cc1ccc2c(c1)CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.80408,False
21094,Nc1cc(Cl)cc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8132543,False
21095,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(Cl)cc3)[nH]2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46690938,False
21096,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1[nH]nc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88395953,False
21097,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(F)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9344833,False
21098,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9226773,False
21099,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2ccccn2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93599486,False
21100,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(N(CCF)c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86002254,False
21101,O=C(NCCN1CCN(O[O-])CC1)c1cc(Br)c2ccccc2c1-c1ccccc1[N+](=O)[O-],[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.41176105,False
21102,O=C1N(CC2CCCCN2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.4482789,False
21103,O=C1N(CC2COCCN2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.29412827,False
21104,O=C1N(CCN2CC3CCC2CCc2ccccc2C3)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.5294583,False
21105,O=C1N(Cc2ccc3sccc3c2)CCN1C1COc2ccccc2C1,[*]N1CCN([*])C1=O,0.42779186,False
21106,CC(O)CN1CCN(c2cccc(CC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.3301223,False
21107,CC1(C)CC2CCC(CNCN3CCN(c4cccc(Cl)c4)C3=O)(CC2)C1,[*]N1CCN([*])C1=O,0.5166739,False
21108,CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.63847065,False
21109,CN1c2ccccc2CC1N1CCN(Cc2cc(Cl)ccc2F)C1=O,[*]N1CCN([*])C1=O,0.43886504,False
21110,COc1ccc(C2CCCN(CN3CCN(c4cccc(Cl)c4)C3=O)C2)cc1,[*]N1CCN([*])C1=O,0.6219127,False
21111,COc1ccc(F)cc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9785494,False
21112,COc1ccc2[nH]cc(CN3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34074426,False
21113,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C#Cc3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9495315,False
21114,Cc1cccc(CNC(C)CN2CCN(c3cccc(Cl)c3)C2=O)n1,[*]N1CCN([*])C1=O,0.2923333,False
21115,O=C(NCC=CCN1CCN(c2c[nH]c3cccc(OCCF)c23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.58843184,False
21116,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(O)c3)cc2)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5525532,False
21117,O=C(NCC=CCN1CCN(c2ccc(O)cn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39801165,False
21118,O=C(NCC=CCN1CCN(c2ccc3cc(CO)ccc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43006134,False
21119,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccccc2)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90872395,False
21120,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2F)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9260947,False
21121,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(C(F)(F)F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9625652,False
21122,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1[N+](=O)O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8915485,False
21123,O=C1N(CCN2Cc3ccccc3C3CCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8004977,False
21124,O=C1N(CCOCC2CCCCN2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.47081885,False
21125,O=C1N(Cc2ccccc2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.3661414,False
21126,O=C1N(c2cccc(Cl)c2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.3185307,False
21127,O=Cc1cc(N2CCN(CC=CCNC(=O)c3cccc(OCCF)c3)CC2)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4337143,False
21128,CC(C)N1CCN(c2cc(Cl)cc(F)c2F)C1=O,[*]N1CCN([*])C1=O,0.17834847,False
21129,CC(C)c1cccc(C(=O)N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.42966893,False
21130,CCCCN(CCC)C1COc2c(cccc2Oc2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7232808,False
21131,CCCN(Cc1cccc(Cl)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54137635,False
21132,CCCN1CCCC1CNC(=O)c1c(OC)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5074714,False
21133,CCCc1cccc2c1OCC(N(CCC)c1cccc3ccccc13)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6128449,False
21134,CCN1CCCC1CNC(=O)c1c(C)ccc(CCCl)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.70243394,False
21135,CN(Cc1ccc(O)cc1)C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79184335,False
21136,CN(Cc1csc2ccccc12)CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.34473798,False
21137,CN1CCC(CN2CCN(Cc3ccc(Cl)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.47709167,False
21138,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C=Nc2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4183303,False
21139,COc1cccc(C2CCCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.81362087,False
21140,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(Cl)ccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.552576,False
21141,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3ccc2Cc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48783046,False
21142,Nc1ccccc1C(=O)NCC=CCN1CCN(Cc2c(Cl)cccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38297337,False
21143,O=C(NCC=CCN1CCN(C2=CN3C=CC=CC(=C2)N=C3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39688456,False
21144,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2ccc(F)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93582654,False
21145,O=C1N(CC(=O)N2CCc3ccccc32)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.16950774,False
21146,O=C1N(Cc2ccccc2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.6280018,False
21147,C=S(=O)(O)N(CCCC)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48142806,False
21148,CCCCCN(CC)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.63606536,False
21149,CCCCN1CCCC1CNC(=O)c1c(Br)ccc(C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.4462564,False
21150,CCCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2146593,False
21151,CCOc1c(N)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24493723,False
21152,CCOc1c(OC)ccc(CCBr)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24665323,False
21153,CN(C)Cc1cc(N2CCN(c3cccc(Cl)c3)C2=O)ccc1Cl,[*]N1CCN([*])C1=O,0.4222073,False
21154,COc1ccc(Br)c(C(=O)NCC=CCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40490094,False
21155,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3[nH]cc(C)c3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3069093,False
21156,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3ccccc3s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9494577,False
21157,Cc1ccc(CN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)s1,[*]N1CCN([*])C1=O,0.24932474,False
21158,Cc1ccc(N)cc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83723104,False
21159,Cc1cccc(N2CCN(C3CCN(Cc4ccccc4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.68397266,False
21160,O=C(NCC=CCN1CCN(c2ccc3ccccc3c2OCCF)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63931006,False
21161,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c(-c2cccc(Cl)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8831742,False
21162,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc([N+](=O)[O-])cs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9018897,False
21163,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1oc2ccccc2c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80098903,False
21164,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc2scnc12,[*]N1CCN([*])C1=O,0.7847906,False
21165,O=C1N(CCc2ccc3c(c2)Cc2ccccc2C3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5197507,False
21166,O=C1N(c2cccc(Cl)c2)CCN1C1CCC(NCc2cccc(Cl)c2)CC1,[*]N1CCN([*])C1=O,0.3927509,False
21167,CC1(C)CC2CCC(C2)CN1CN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.3466193,False
21168,CN(c1ccccc1)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93727875,False
21169,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc[s+]2[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.40075257,False
21170,COc1ccc2c(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)csc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67216605,False
21171,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc4cc[nH]c4n3)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2997404,False
21172,COc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9215646,False
21173,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(C(F)(F)F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87090546,False
21174,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2-c2cccc(C)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82376844,False
21175,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1ccc(-c2cccc(O)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44665992,False
21176,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(O)n3)cc2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43716845,False
21177,O=C(NCC=CCN1CCN(c2ccc(O)nc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46690252,False
21178,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(O)ccc2cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90083534,False
21179,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccc(-c2cc[nH]c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49737668,False
21180,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2ccccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9377206,False
21181,O=C(NCC=CCN1CCN(c2sccc2-c2ccccc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41005993,False
21182,O=C1N(CC2CCCNC2CO)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.37827295,False
21183,O=C1N(CCN2C3CCCCC2Cc2ccccc2C3)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.4599538,False
21184,O=C1N(CCN2CCC(CF)CC2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.8028989,False
21185,O=C1N(CN2CCCCC2C(F)(F)F)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.49353635,False
21186,O=C1N(COCCF)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3077069,False
21187,O=C1N(c2csc3ccccc23)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.25659332,False
21188,CC(C)OC1CCCCc2ccc(N3CCN(c4cc(Cl)cc(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.3911849,False
21189,CCCCN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.3522913,False
21190,CCN(CC)CCN1CCN(c2cccc(OC)c2)C1=O,[*]N1CCN([*])C1=O,0.7046745,False
21191,COCCN1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.70583755,False
21192,COc1ccccc1N1CCN(CC=CCNC(=O)c2coc(-c3ccc(Br)cc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8188932,False
21193,Cc1cccc(N2CCN(C3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.4055694,False
21194,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67789036,False
21195,NC(=O)c1[nH]ccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89654076,False
21196,O=C(C=CCNC(=O)c1ccccc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7922215,False
21197,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92480034,False
21198,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc(Cl)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74740016,False
21199,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(CNC(=O)c2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.869508,False
21200,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(O)c(-c2ccc[nH]2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8558463,False
21201,O=C1N(CC(F)(F)F)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.51684815,False
21202,O=C1N(CC2CCC(c3ccccn3)CN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.55897516,False
21203,O=C1N(CCN2CCC(c3ccccc3)CC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.8083979,False
21204,O=C1N(Cc2cccc(Cl)c2)CCN1Cc1ccccc1Cl,[*]N1CCN([*])C1=O,0.30548814,False
21205,O=C1N(c2ccccc2)CCN1C1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.38614416,False
21206,O=Cc1c[nH]c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3994964,False
21207,CC(C)N1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.30532357,False
21208,CCCCN(O)C1COc2c(cccc2C2CC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54757,False
21209,CCCN(C)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7288669,False
21210,CCCN(CCCN1C(=O)CC(C)(C)CC1=O)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.64882,False
21211,CN1CCC(CN2CCN(c3cc(F)cc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.4714987,False
21212,CO[N+](=O)c1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7734094,False
21213,COc1ccc(N2CCN(CCN3CCCC(C)CC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.75251275,False
21214,COc1ccc2c(c1)C=CC=C(N1CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC1)C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36617857,False
21215,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9262958,False
21216,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2-c2cc(F)cs2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79833627,False
21217,Cc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65163875,False
21218,N#Cc1cc(N2CCN(C3Cc4ccccc4C3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.42631894,False
21219,N#Cc1cccc(N2CCN(C(=O)NCc3ccc(F)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.14753501,False
21220,O=C(CN1CCN(Cc2c(Cl)cc(Cl)cc2Cl)C1=O)NCc1cccc2ccccc12,[*]N1CCN([*])C1=O,0.09889563,False
21221,O=C(NCC=CCN1CCN(c2ccc(-c3cccs3)cc2)CC1)c1ccc(Cl)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5290336,False
21222,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49284264,False
21223,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(O)c(Cl)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9211347,False
21224,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3835779,False
21225,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccccc2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8358616,False
21226,O=C1N(CC2Cc3ccccc3CN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6503112,False
21227,O=C1N(Cc2cccc(Cl)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.34297723,False
21228,O=C1N(Cc2ccccc2)CCN1C1CCCCC1O,[*]N1CCN([*])C1=O,0.27371305,False
21229,O=C1c2ccccc2CN1CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.64226884,False
21230,C=C(c1ccccc1)N(CCCC)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40753016,False
21231,CC(CN1CCN(CCN2Cc3ccccc3C2)C1=O)c1cccs1,[*]N1CCN([*])C1=O,0.77997446,False
21232,CC(CN1CCN(c2cccc(Cl)c2)C1=O)OCc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4258976,False
21233,CCCCN(CCC)C1COc2c(Cc3cccc(OC)c3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6632721,False
21234,CCCCN(O)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54113847,False
21235,CCCN(CCC)C1COc2c(COc3ccc(C(F)(F)F)cc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7699415,False
21236,CCCc1cccc2c1OCC(N(C#N)CCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6031429,False
21237,CCc1ccc(N(CO)C2COc3c(CC)cccc3C2)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.42079514,False
21238,CN(C)Cc1cc(CN2CCN(c3cccc(Cl)c3)C2=O)cs1,[*]N1CCN([*])C1=O,0.45961642,False
21239,COc1ccc2c(c1)C(C(=O)NCC=CCN1CCN(c3cccc(Cl)c3OC)CC1)CCC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5557955,False
21240,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(OCCF)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37538645,False
21241,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Cl)c(N)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4542637,False
21242,Cc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7746783,False
21243,N#Cc1cc(N2CCN(CCN3CCc4ccccc4C3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.7507011,False
21244,N#Cc1cccc(N2CCN(C3Cc4ccc(Cl)cc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.5269672,False
21245,N#Cc1cccc(N2CCN(CC(F)(F)N3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.39234376,False
21246,O=C(NCC=CCN1CCN(c2cc(Cl)ccc2Cl)CC1)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6327275,False
21247,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(OCCF)cn3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4337985,False
21248,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc2ccc(O)cc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8155906,False
21249,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1csc(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9001585,False
21250,O=C(NCC=CCN1CCN(c2ncccn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42995632,False
21251,O=C1N(CNCc2ccc(Cl)cc2)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.26843747,False
21252,O=C1N(Cc2cccnc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.44410935,False
21253,CCCCN(OC)C1COc2c(cccc2C(=O)C2(C)CCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.38784957,False
21254,CCCN1CCCC1CNC(=O)c1c(C)ccc(O)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.39835432,False
21255,CCN(C)CCN1CCN(c2ccc(Cl)c(F)c2)C1=O,[*]N1CCN([*])C1=O,0.614428,False
21256,CCN1CCCC1CNC(=O)c1c(C)ccc(Br)c1OSO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.69471085,False
21257,CCN1CCN(CC2CCCCN2Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.2955673,False
21258,CCc1ccc(OC)c(OCl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.26874766,False
21259,CCc1cccc2c1OCC(N(CO)c1ccc(C(C)=O)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3014611,False
21260,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc([N+](=O)[O-])c([N+](=O)[O-])c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33608243,False
21261,COc1cc([N+](=O)[O-])ccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.75378966,False
21262,COc1ccc(-c2c(C(=O)NCCN3CCN([N+](=O)[O-])CC3)cc(Br)c3ccccc23)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.326351,False
21263,COc1cccc(Oc2ccccc2N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8855425,False
21264,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1ccc(Cl)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47390702,False
21265,O=C(NCC=CCN1CCN(c2cc(OCCF)ccc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52338713,False
21266,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53127444,False
21267,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(Cl)cc2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.880158,False
21268,O=C1N(CCN2CC3CCC2Cc2ccccc2C3)CCN1Cc1cccs1,[*]N1CCN([*])C1=O,0.48998034,False
21269,O=C1N(CCN2Cc3ccsc3C2)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.6697875,False
21270,O=C1N(CCN2c3ccccc3C23CCCCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5052753,False
21271,CC1(C)C2CCCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1(C)C2,[*]N1CCN([*])C1=O,0.7738859,False
21272,CCCc1cccc2c1OCC(N(CO)C1CCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.48879147,False
21273,COCC1C2CCC1(CN(C)CN1CCN(c3cccc(C)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.44188407,False
21274,COc1c(C(=O)NCCN2CCN(c3cc([N+](=O)[O-])ccc3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.82922965,False
21275,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(CCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7127236,False
21276,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3C(F)(F)F)CC2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42204568,False
21277,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(-c4ccccn4)cc3)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39478725,False
21278,COc1cccc(N2CCN(CCN3CCC4(CCc5ccccc5C4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.81711304,False
21279,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3c4ccccc4n(C)c3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42844826,False
21280,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38809478,False
21281,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccoc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89777994,False
21282,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3c(O)cccc3n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8057462,False
21283,Cc1cccc(-c2ccccc2N2CCN(CC=CCNC(=O)c3ccc(Cl)c(Cl)c3)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7366757,False
21284,O=C(NCC=CCN1CCN(c2ccc(CCF)cc2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4484971,False
21285,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1cc(F)cc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5056749,False
21286,O=C(NCC=CCN1CCN(c2ccccc2Oc2ccccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80454403,False
21287,O=C1N(Cc2cccc(Cl)c2)CCN1CC1CCCCCN1,[*]N1CCN([*])C1=O,0.30644953,False
21288,CC(C)N1CCOCC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5092674,False
21289,CC(C)Oc1cccc(N2CCN(CNC(C)c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.26202404,False
21290,CCCCN(CC)C1COc2c(cccc2OC(=O)c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.34991094,False
21291,CCCCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19038446,False
21292,CCCN(CCC)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.83594495,True
21293,CN(CCN1CCN(c2ccccc2)C1=O)Cc1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.56206685,False
21294,CN1CCC(CN2CCN(c3cccc(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.58931,False
21295,COCC1c2ccccc2CN1CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.6161236,False
21296,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(O)ccc2Br)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5533045,False
21297,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(CCF)cc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64573383,False
21298,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccc(F)cc3)c[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92404336,False
21299,O=C(NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2)CC1)c1cccc(OCCF)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48642182,False
21300,O=C(NCC=CCN1CCN(c2ccc(O)c(-c3ccsc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4920774,False
21301,O=C(NCC=CCN1CCN(c2ccc([N+](F)F)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43663582,False
21302,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c2ccc(O)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90567905,False
21303,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(Oc2cccc(OCCF)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94914395,False
21304,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1CC=CC=C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6410748,False
21305,O=C(NCC=CCN1CCN(c2csc3ccccc23)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51139,False
21306,O=C1N(CCN2CC3CCCc4ccccc4CC2CC3)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.56306374,False
21307,O=C1N(c2cccs2)CCN1C1CCCCNC1,[*]N1CCN([*])C1=O,0.17497124,False
21308,CC12CCC3CC1(N1CCN(c4cccc(Cl)c4)C1=O)CC3C2,[*]N1CCN([*])C1=O,0.39738286,False
21309,CCCN(c1ccco1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4941727,False
21310,CCCc1cccc2c1OCC(N(CC)CN1C=C(C(F)(F)F)C(=O)CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4952542,False
21311,CCOc1c(Br)ccc(OS(C)(=O)=O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20721127,False
21312,CNC1CCC(CN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.34902653,False
21313,COCC1CC2CCC1N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.65109235,False
21314,COCC1CCC(N2CCN(c3cccc(Cl)c3)C2=O)N1,[*]N1CCN([*])C1=O,0.4680929,False
21315,COc1ccc(-c2c(C(=O)NCCN3CCN(OC)CC3)cc(Br)c3ccccc23)cc1Cl,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.44924015,False
21316,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(F)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4315522,False
21317,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OCCF)cc2Oc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.62483954,False
21318,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(C)cc(O)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91417044,False
21319,Cc1ccc(NC(C)C)c(N2CCN(CC3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.3846334,False
21320,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(O)nc3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5207849,False
21321,O=C(NCC=CCN1CCN(c2ccc(F)cc2)CC1)c1cccc(OCCF)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5074875,False
21322,O=C(NCC=CCN1CCN(c2ccc3cc(OCCF)ccc3c2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45513862,False
21323,O=C1N(CCC2NCCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7515947,False
21324,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CCC2CCC1Nc1ccccc1C2,[*]N1CCN([*])C1=O,0.4088732,False
21325,O=C1N(c2cccc(Cl)c2)CCN1c1cccc(C2CCCCNC2)c1,[*]N1CCN([*])C1=O,0.38695198,False
21326,CC1(C)CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C(C)(C)C1,[*]N1CCN([*])C1=O,0.7808399,False
21327,CCCCN(C(C)C)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5137001,False
21328,CCCN(CCC)C1COc2c(cccc2C(=O)c2cc(C(F)(F)F)c[nH]2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6180952,False
21329,CCCN(CO)C1COc2c(cccc2C2CC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.65784925,False
21330,CCOCN1CCN(c2cccc(OC)c2)C1=O,[*]N1CCN([*])C1=O,0.40623748,False
21331,CN(CCN1CCN(c2ccc(Cl)c(Cl)c2)C1=O)Cc1ccccc1,[*]N1CCN([*])C1=O,0.66555667,False
21332,COCC1C2CCC1CN(CN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.5083658,False
21333,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.948287,False
21334,COc1ccc2cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)oc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37207377,False
21335,COc1cccc(N2CCN(c3cc(Cl)cc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.22642201,False
21336,COc1cccc2sc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91050917,False
21337,Cc1c#ccccccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8793104,False
21338,N#Cc1cc(N2CCNCC2CN2CCN(c3cccc(Cl)c3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.5915555,False
21339,O=C(NCC=CCN1CCN(OC2c3ccccc3-c3ccccc32)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44364738,False
21340,O=C(NCC=CCN1CCN(c2cccc3ccc(=O)oc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49982467,False
21341,O=C1N(CCNC2CCCCC2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.47173297,False
21342,O=C1N(CCNCc2ccsc2)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.2783282,False
21343,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CCCNCC1,[*]N1CCN([*])C1=O,0.30848938,False
21344,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CCOC1,[*]N1CCN([*])C1=O,0.26915896,False
21345,O=C1N(c2cccc(Cl)c2)CCN1C1c2ccccc2CC2CCNC1CC2,[*]N1CCN([*])C1=O,0.42243904,False
21346,O=C1N(c2ccccc2)CCN1c1cc(Cl)ccc1C1CCNCC1,[*]N1CCN([*])C1=O,0.34606472,False
21347,CC(C)Oc1cccc(N2CCN(C3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.16082089,False
21348,CC1CNCCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.42341956,False
21349,CCCN(c1ccoc1)C1COc2c(CC(C)C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.63396794,False
21350,CCCc1cccc2c1OCC(N(CCC)CN1C=C(C(F)(F)F)CC(=O)CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5418777,False
21351,CCCc1cccc2c1OCC(N(CO)Cc1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5537637,False
21352,CN(C)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(OCCF)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36282873,False
21353,CNc1ccc(OC)cc1C(=O)NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3709757,False
21354,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9358996,False
21355,Cc1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.410449,False
21356,Cc1cccc(CNCCN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)n1,[*]N1CCN([*])C1=O,0.29617625,False
21357,Cc1cccc(N2CCN(CC(=O)N3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.10481661,False
21358,Cc1ccoc1N1CCN(C2CCN(Cc3ccccc3)CC2)C1=O,[*]N1CCN([*])C1=O,0.54559106,False
21359,O=C(NCC=CCN1CCN(c2cc(-c3ccsc3)ccc2Cl)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.58780974,False
21360,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccn[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7988889,False
21361,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(-c2ncccc2F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6651971,False
21362,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccccc2)cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8683967,False
21363,O=C1N(CC2CNCCc3sccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5085873,False
21364,O=C1N(CCN2CC3CCCC2Cc2ccccc2CC3)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.5543818,False
21365,O=C1N(CCN2CCC3Cc4ccccc4CCCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6356242,False
21366,O=C1N(CCOC2CCCCN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7539578,False
21367,O=C1N(Cc2ccc(Cl)cc2)CCN1c1cccc(C2CCCCCN2)c1,[*]N1CCN([*])C1=O,0.40035093,False
21368,CC(Cc1ccccc1)N1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.787686,False
21369,CCCCN(CC)C1COc2c(cccc2C2CC(=O)CCC2=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4338774,False
21370,CCOOc1c(CC)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6299876,False
21371,CCc1ccc(C)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8771829,False
21372,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cc(O)ccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65289694,False
21373,COc1ccccc1C(=O)NCC=CCN1CCN(c2c[nH]c(-c3ccccn3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40064183,False
21374,Cc1cccc(C(=O)NCC=CCN2CCN(c3ccsc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34222615,False
21375,Cc1cccc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.2764318,False
21376,Nc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Cl)ccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72016317,False
21377,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.22327662,False
21378,O=C(NCC=CCN1CCN(c2ccc(Br)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46389464,False
21379,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(Br)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81794894,False
21380,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1CF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7776552,False
21381,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)C(=O)N(c1ccccc1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78128326,False
21382,O=C1N(CC2(CN3Cc4ccccc4C3)CCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5873156,False
21383,O=C1N(CC2c3ccccc3CCN2CCO)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5680684,False
21384,O=C1N(CCN2CCCCCC2)CCN1C1CCCCO1,[*]N1CCN([*])C1=O,0.4393743,False
21385,O=C1N(CCN2Cc3ccccc3C2)CCN1C1CCCCC1O,[*]N1CCN([*])C1=O,0.7286994,False
21386,O=C1N(Cc2ccc(Cl)cc2)CCN1CC1CCC2Cc3ccccc3CCCN2C1,[*]N1CCN([*])C1=O,0.5923204,False
21387,O=C1N(Cc2cccc(Cl)c2)CCN1C1NCC2CCc3ccccc3CC1CC2,[*]N1CCN([*])C1=O,0.4010112,False
21388,O=C1N(c2ccc(Cl)cc2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.23838854,False
21389,CC(c1ccccc1)N1CCN(C2CCCOC2)C1=O,[*]N1CCN([*])C1=O,0.21692216,False
21390,CC1(C)C2CCC1(CNCCN1CCN(c3ccc(Cl)c(F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.4676541,False
21391,CCCCN(CC)C1COc2c(cccc2-c2cc(C(F)(F)F)c[nH]2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45115566,False
21392,CCCCN(CC)C1COc2c(cccc2C(O)c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4380306,False
21393,CCCCN(c1ccc(C(C)O)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41238686,False
21394,CCCN(CC(=O)c1cc2ccccc2[nH]1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4252157,False
21395,CCCN(CC)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7420307,False
21396,CCCN(Cl)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.55617887,False
21397,CCCc1cccc2c1OCC(N(CC)CC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.66943103,False
21398,CCCc1cccc2c1OCC(N(CCC)CC(=O)c1ccco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.35995176,False
21399,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(N(C)C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85631907,False
21400,CN(CCN1CCN(c2ccc(Cl)cc2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.5993485,False
21401,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93353736,False
21402,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44368637,False
21403,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cccn2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8445947,False
21404,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cocc1-c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83611196,False
21405,O=C1N(CC2CCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.70884365,False
21406,O=C1N(CCN2CCN(CC(F)(F)F)CC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.7446053,False
21407,O=C1N(CCN2CCNCC2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.57233566,False
21408,O=C1N(CCN2CCc3ccsc3C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6255225,False
21409,O=C1N(COCc2cccnc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.46381783,False
21410,O=C1N(c2ccc(Cl)c(Cl)c2)CCN1C1CNC2CCC(Cc3ccccc3C2)C1,[*]N1CCN([*])C1=O,0.31892458,False
21411,O=C1N(c2cccc(Cl)c2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.36332723,False
21412,O=C1N(c2ccccc2Cl)CCN1C1CCC(c2ccccc2)CC1,[*]N1CCN([*])C1=O,0.28158787,False
21413,CC(F)C1CCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.9418694,False
21414,CCN1CCCC1CNC(=O)c1c(C)ccc([SH](C)O)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.65791386,False
21415,CCN1CCCC1CNC(=O)c1c(O)ccc(C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.75019985,False
21416,CCOc1c(C)ccc(Br)c1C(=O)NCC1CCCN1F,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.13329247,False
21417,CN(C)C1CC2CCC1C(N1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.34087867,False
21418,CN(Cc1ccccc1)c1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7433187,False
21419,COc1ccc(CCNN2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.24751112,False
21420,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3c[nH]nc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32513583,False
21421,Cc1cc(-c2cccc(F)c2)ccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8223449,False
21422,Cc1cccc(CN2CCN(c3cccnc3)C2=O)c1,[*]N1CCN([*])C1=O,0.25566733,False
21423,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3N)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34095466,False
21424,N#Cc1cccc(N2CCN(CCN3CCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.5674354,False
21425,O=C(C=CCNC(=O)c1ccc(F)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8308843,False
21426,O=C(NCC=CCN1CCN(c2cc(OCCF)ccc2Br)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.57462585,False
21427,O=C(NCC=CCN1CCN(c2cccc3c2-c2ccccc2C3)CC1)c1ccc(Cl)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6344807,False
21428,O=C(NN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.25983387,False
21429,O=C1N(CC2CCCN(CCc3cccc(Cl)c3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6456793,False
21430,O=C1N(CC2CCc3ccsc3CC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.50187385,False
21431,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.703813,False
21432,O=C1N(Cc2cccc(Cl)c2)CCN1C1COCc2ccccc21,[*]N1CCN([*])C1=O,0.42244583,False
21433,O=C1N(Cc2ccccc2)CCN1c1ccc2c(c1)CCCC2,[*]N1CCN([*])C1=O,0.41942438,False
21434,CCCCN(c1cc(C(F)(F)F)cs1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5405432,False
21435,CCCN(CC(=O)O[O-])C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.38623497,False
21436,CCN(Cc1cccs1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57141423,False
21437,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2O[N+](=O)[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.36271676,False
21438,CON=C(CN1CCN(c2ccccc2)C1=O)c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.20828585,False
21439,COc1cc(N)ccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.57297504,False
21440,COc1ccc(CN2CCN(CC3CCNCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.36159623,False
21441,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)o2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8347332,False
21442,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(C)ccc2-c2ccc(F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4622734,False
21443,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3cccc(F)c3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43711695,False
21444,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2-c2ccc(F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73715574,False
21445,N[N+](=O)c1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3949019,False
21446,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5884581,False
21447,O=C(NCC=CCN1CCN(c2cc3c(OCCF)cccc3o2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4005347,False
21448,O=C(NCC=CCN1CCN(c2ccncc2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4784523,False
21449,O=C(NCCN1CCN(O[O-])CC1)c1cc(Br)c2ccccc2c1-c1cccc([N+](=O)[O-])c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.30608356,False
21450,O=C1N(CC(=O)N2CCc3ccc(F)cc32)CCN1Cc1ccccc1Cl,[*]N1CCN([*])C1=O,0.24996571,False
21451,O=C1N(CC2CCCCCN2Cc2cccc(F)c2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.39427274,False
21452,O=C1N(CCN2CCCCC2Cc2cccc(Cl)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6300236,False
21453,O=C1N(CCN2CCCCCC2)CCN1C1COCO1,[*]N1CCN([*])C1=O,0.46621048,False
21454,CC(C)NC1CCCc2ccc(N3CCN(c4cccc(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.37035868,False
21455,CCCCN(CC)C1COc2c(CCc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6318239,False
21456,CCCN(CCNCC)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6454767,False
21457,CCCc1cccc2c1OCC(N(CO)c1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.49512553,False
21458,CCN(Cc1cc2ccccc2s1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.50237066,False
21459,CCc1ccc(C)c(OS(C)(=O)=O)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16358036,False
21460,CCc1ccc(C)c(O[N+]C)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17549506,False
21461,CN(C)c1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9623077,False
21462,COCC1CCCN1CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.36297324,False
21463,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccc(C=Cc3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.62165177,False
21464,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OC)c3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5368281,False
21465,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C)cc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94117904,False
21466,Nc1cc(F)ccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8849677,False
21467,O=C(Cc1ccccc1OCCF)NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31885463,False
21468,O=C(NCC=CCN1CCN(c2cc3ccccc3o2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40237242,False
21469,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccs2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.908532,False
21470,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9639431,False
21471,O=C1N(CC2NCCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6106514,False
21472,O=C1N(CCN2CCCc3ccsc3C2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.6143162,False
21473,CC(C)(C)NCC12CC(N3CCN(c4cccc(Cl)c4)C3=O)CCC1C2,[*]N1CCN([*])C1=O,0.3973278,False
21474,CC(C)N(CO)C1COc2c(CCCN3C(=O)CC4(CCCCC4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46812278,False
21475,CC1(C)C2CCC1(CCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.7764041,False
21476,CC1CN(C(=O)CN2CCN(c3cccc(Cl)c3)C2=O)c2ccccc21,[*]N1CCN([*])C1=O,0.34571764,False
21477,CCN1CC(N2CCN(c3cccc(Cl)c3)C2=O)C2CCC1Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.5367203,False
21478,CCc1cccc2c1OCC(N(O)CC(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3949391,False
21479,COCC1C2CCCC1CN(CCN1CCN(c3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.7025191,False
21480,COc1ccc([N+](=O)N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3977474,False
21481,Cc1cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37427077,False
21482,N#Cc1cccc(N2CCN(Cc3cccs3)C2=O)c1,[*]N1CCN([*])C1=O,0.44941005,False
21483,O=C(NCC=CCN1CCN(c2cc3ccccc3[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47152692,False
21484,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cnccc2O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92213,False
21485,O=C(NCC=CCN1CCN(c2ccccc2-c2ccco2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7079995,False
21486,O=C1N(CC(F)(F)c2ccccc2)CCN1C1CCOC1,[*]N1CCN([*])C1=O,0.36433184,False
21487,O=C1N(CC2CCCN3CCCC23)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.59756124,False
21488,O=C1N(CCN2CCCc3ccsc3C2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.6655524,False
21489,O=C1N(CCN2CCOCC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.4292711,False
21490,O=Cc1c[nH]c(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43481293,False
21491,CC1(C)CCCC2CC1(C)CN2CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6484942,False
21492,CCCN(CC(=O)c1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40201524,False
21493,CCCN(CO)C1COc2c(CCN3C(=O)CC4(CCCC4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56388557,False
21494,CCN(CC(C)C)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.55562043,False
21495,CCN1CCCC1CNC(=O)c1c(CO)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9320754,False
21496,CN1CCCCCC1CN1CCN(Cc2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.37825993,False
21497,CN1c2ccccc2CC2CCC1CC(N1CCN(c3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.37764657,False
21498,COc1ccc(C(=O)NCN2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28780633,False
21499,Cc1cc(O)nc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30577606,False
21500,Cc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9242795,False
21501,Cc1ccc(N2CCN(CCN3Cc4ccccc4C(C)(C)C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.729841,False
21502,O=C(NCC=CCN1CCN(Oc2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.29384091,False
21503,O=C(NCC=CCN1CCN([N+](=O)c2ccccc2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3031645,False
21504,O=C(NCC=CCN1CCN(c2ccc3c(c2)COCO3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.427275,False
21505,O=C(NCC=CCN1CCN(c2cccc(F)c2)CC1)c1c[nH]c(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4326614,False
21506,O=C1N(CC2CCCc3ccccc3C2O)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5098705,False
21507,O=C1N(CCN2Cc3ccccc3C2)CCN1COCCc1ccccc1,[*]N1CCN([*])C1=O,0.80952513,False
21508,O=C1N(COCCN2CCCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.72261,False
21509,O=C1N(Cc2ccccc2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.37529737,False
21510,CC1(C)CNCC(N2CCN(Cc3ccccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.31299275,False
21511,CCCN(c1cc(C(F)(F)F)co1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56435543,False
21512,CCc1ccc(C)c(OSC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18169108,False
21513,CN(CN1CCN(c2cccc(Cl)c2)C1=O)CC12CCCC(CC1(C)C)C2,[*]N1CCN([*])C1=O,0.7745478,False
21514,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1N(C)C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93581665,False
21515,COc1ccc(O)cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5632072,False
21516,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(Cl)ccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47701117,False
21517,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccc(F)cc3)ccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9081785,False
21518,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2N(F)CCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88719386,False
21519,Cc1cc(N2CCN(CC=CCNC(=O)c3ccccc3F)CC2)[nH]c1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.26205054,False
21520,O=C(CN1CCN(c2ccccc2)C1=O)NCc1ccsc1,[*]N1CCN([*])C1=O,0.074341424,False
21521,O=C(NCC=CCN1CCN(c2ccc[nH]2)CC1)c1cncc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43212205,False
21522,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1C#Cc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9370302,False
21523,O=C(NCC=CCN1CCN(c2ccncc2)CC1)c1cccc(F)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5226391,False
21524,O=C1N(CC2CCCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.61635214,False
21525,O=C1N(CC2CCCCN2CO)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.50301963,False
21526,O=C1N(CCN2CCCCC(c3ccccc3)C2)CCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.6023195,False
21527,O=C1N(Cc2ccc(F)cc2)CCN1CC1CCCCCN1,[*]N1CCN([*])C1=O,0.3004066,False
21528,O=C1N(Cc2ccccc2Cl)CCN1CC1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.53206426,False
21529,O=C1N(c2cccc(Cl)c2)CCN1c1cccc(OCCN2CCCCC2)c1,[*]N1CCN([*])C1=O,0.53365535,False
21530,CC1(C)CC2CCC(CNCCN3CCN(c4cccc(Cl)c4)C3=O)(CC2)C1,[*]N1CCN([*])C1=O,0.6109196,False
21531,CCCCN(C(C)=O)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40192586,False
21532,CCCc1cccc2c1OCC(N(CC)Cc1occc1C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.49781686,False
21533,CCN1CCCC1CNC(=O)c1c(C)ccc(Cl)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.69155794,False
21534,CCOc1c(Br)ccc(F)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24549918,False
21535,COC(F)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8255672,False
21536,COCC1CCCCN1CCN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.58542544,False
21537,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccnc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38773575,False
21538,COc1c(C(=O)NCCN2CCN(C3=C(C)[N+](=O)C=CC=CC=C3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7362429,False
21539,COc1c(C(=O)NCCN2CCN(c3ccc(O)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8410344,False
21540,COc1ccccc1-c1nocc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47343844,False
21541,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(O)cc3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9247169,False
21542,Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1C(C)C,[*]N1CCN([*])C1=O,0.86397606,False
21543,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(O)n3)cc2)CC1)c1cccc(Cl)c1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4125368,False
21544,O=C1N(CCCN2C3CCCCC2Cc2ccccc2C3)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.51636577,False
21545,O=C1N(CCN2CCC(c3ccc(Cl)cc3)CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.83701426,False
21546,O=C1N(CN2CC3CCOCC(CC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5041688,False
21547,CC(C)(C)c1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)nc1,[*]N1CCN([*])C1=O,0.85523367,False
21548,CCCCN(C1COc2c(CC)cccc2C1)n1cc(C(F)(F)F)oc1=O,[*]CN([*])C1COc2c([*])cccc2C1,0.36020622,False
21549,CCN(CC)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6214692,False
21550,CCN(Cc1ccc(C)s1)CN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.1993859,False
21551,CCc1cccc2c1OCC(N(COC)Cc1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.45601988,False
21552,CN(CC1Cc2ccccc2C1)CN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4749124,False
21553,COc1ccc(OC)c(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9235448,False
21554,COc1cccc(C2CCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.90420073,False
21555,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96050256,False
21556,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3ccc(O)cc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9629788,False
21557,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(CCF)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9235817,False
21558,COc1cccnc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43353546,False
21559,Cc1ccc(CN2CCN(c3ccc4c(c3)NCC4)C2=O)cc1,[*]N1CCN([*])C1=O,0.38479772,False
21560,Cc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6175231,False
21561,N#Cc1cccc(N2CCN(CC(F)(F)F)C2=O)c1,[*]N1CCN([*])C1=O,0.5095425,False
21562,O=C(NCC=CCN1CCN(C=Cc2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34591886,False
21563,O=C1N(CC2COCc3ccccc32)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.53251576,False
21564,O=C1N(CCN2Cc3ccccc3C2)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.6806331,False
21565,O=C1N(CCOc2cccc(Cl)c2)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.38145873,False
21566,O=C1N(c2ccc3c(c2)N(C(=O)Cc2ccccc2)CC3)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.10937953,False
21567,O=C1N(c2cccc(Cl)c2)CCN1C1CCNCC1O,[*]N1CCN([*])C1=O,0.3651869,False
21568,CC(C)(C)c1ccc(N2CCN(C3CCCNC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.25482967,False
21569,CC1CCCCN1CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.41920593,False
21570,CC1CCCCN1CN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.29676607,False
21571,CCCCN(O)C1COc2c(cccc2C2CCCC3(CCC(=O)C(=O)C3)C2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3753054,False
21572,CCCN(c1ccsc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57127607,False
21573,CCCN1CC2CC13CC(CCC2N1CCN(c2ccccc2Cl)C1=O)C3,[*]N1CCN([*])C1=O,0.34222522,False
21574,CCCc1cccc2c1OCC(N(CC(=O)OC)c1ccc(C)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.2217728,False
21575,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.3738175,False
21576,COc1ccc(Oc2ccccc2C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92338926,False
21577,COc1ccccc1-c1c(C(=O)NCCN2CCN([N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35356456,False
21578,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Oc3ccccc3)cc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6230731,False
21579,Cc1cc(N2CCN(CCN3CCN(C(C)C)CC3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.7285932,False
21580,N#Cc1cccc(N2CCN(CCN3CCc4ncccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.70832413,False
21581,Nc1cccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)c(Cl)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5534854,False
21582,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2CF)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54830414,False
21583,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NC1CCc2ccc(O)cc2C1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8051384,False
21584,O=C(NCC=CCN1CCN(c2ccccc2-c2ccsc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74183655,False
21585,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-n2ccnc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9009358,False
21586,O=C1N(Cc2cccs2)CCN1CC1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.5259699,False
21587,CC(c1cccc(Cl)c1)N1CCN(CC2CCCCN2C)C1=O,[*]N1CCN([*])C1=O,0.40856096,False
21588,CC1(C)CCNC2CCC1(N1CCN(Cc3ccc(Cl)cc3)C1=O)C(O)C2,[*]N1CCN([*])C1=O,0.27271602,False
21589,CC1Cc2ccccc2N(CCN2CCN(c3ccc(Cl)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.58629984,False
21590,CC1c2ccccc2CN1CCN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.6620888,False
21591,CCCN(Cc1ccsc1)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5354766,False
21592,CCCc1cccc2c1OCC(N(CC)Cc1cccc(O)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.58988655,False
21593,COc1c(C(=O)NCCN2CCN(c3cc(F)ccc3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.85621256,False
21594,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3ccccc3c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9366321,False
21595,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(O)c3)cc2)CC1)c1ccc(Cl)c(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49511978,False
21596,O=C(NCC=CCN1CCN(c2ccc(-c3ccn[nH]3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5022081,False
21597,O=C(NCC=CCN1CCN(c2cccc(-c3cccc(O)c3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45822182,False
21598,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ncccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88275605,False
21599,O=C(NCC=CCN1CCN(c2cscc2-c2ccccc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6905188,False
21600,O=C(NCN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33849502,False
21601,O=C1N(CC2CCCCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.4371509,False
21602,O=C1N(CCN2CC3CCC(CC3)C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.68827015,False
21603,O=C1N(CCN2CCCCCC2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.8073436,False
21604,O=C1N(CCN2CCN(c3cccc(Cl)c3)C2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.68301135,False
21605,O=C1N(c2cccc(-c3ccccc3)c2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.20102999,False
21606,C#Cc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.85843444,False
21607,CC(C)c1cccc(CN2CCN(CC(=O)NCc3cccs3)C2=O)c1,[*]N1CCN([*])C1=O,0.046769366,False
21608,CC1(C)CC2CCC(C1)N(CCN1CCN(c3ccc(F)cc3)C1=O)C2,[*]N1CCN([*])C1=O,0.53908414,False
21609,CCN1CCCC1CNC(=O)c1c(C)ccc(CS)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7338417,False
21610,CCOc1ccc(Cl)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1880161,False
21611,CN(C)c1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80523115,False
21612,COc1c(C(=O)NCCN2CCN(c3cccc([N+](=O)c4ccccc4)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8661927,False
21613,COc1c[nH]c(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43744063,False
21614,COc1ccc2cccc(C(=O)NCC=CCN3CCN(c4ccccc4F)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6690546,False
21615,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2CF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7521486,False
21616,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(OC)c3ccccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92467934,False
21617,Nc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8753332,False
21618,O=C(COc1ccc2cnc(O)cc2c1)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6512432,False
21619,O=C(NCC=CCN1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3222527,False
21620,O=C(NCC=CCN1CCN(CNCc2ccncc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.26189047,False
21621,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1cc(Br)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4431945,False
21622,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1sccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.7966129,False
21623,O=C(NCC=CCN1CCN(c2cccnc2-c2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70665383,False
21624,C=CCN(c1cccs1)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57815033,False
21625,CC(C)N1CCN(CCN2c3ccccc3CC2C)C1=O,[*]N1CCN([*])C1=O,0.5085369,False
21626,CC(C)NCc1cccc(N2CCN(c3ccc4c(c3)Cc3ccccc3-4)C2=O)c1,[*]N1CCN([*])C1=O,0.36054334,False
21627,CCCN(CCN(CC)CC)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8472575,False
21628,CCN1CCCC1CNC(=O)c1c(C(C)=O)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.92888474,False
21629,CCOc1c(C)ccc(OC)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17173053,False
21630,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(-c4ccccc4)cc3)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3912981,False
21631,COc1cccc(CN2CCN(c3ccc(F)c(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.38373446,False
21632,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccn[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9501189,False
21633,COc1ccsc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93632483,False
21634,N#Cc1c(Cl)cccc1N1CCN(CCN2CCCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.8077902,False
21635,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1ccc(F)c(F)c1,[*]N1CCN([*])C1=O,0.13328648,False
21636,O=C(NCC=CCN1CCN(c2cc(-c3ccccc3)ccc2F)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59469324,False
21637,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9214378,False
21638,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9494391,True
21639,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7439682,False
21640,O=C1CCNC(CN2CCN(c3cccc(C(F)(F)F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.5450056,False
21641,O=C1N(Cc2cccs2)CCN1Cc1cccs1,[*]N1CCN([*])C1=O,0.3453641,False
21642,O=C1N(c2ccc3sccc3c2)CCN1C1CCC(NCc2ccccc2)CC1,[*]N1CCN([*])C1=O,0.3305,False
21643,O=C1N(c2ccccc2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.2661924,False
21644,CC1(C)CC2CCC(CNN3CCN(c4cccc(Cl)c4)C3=O)(C1)C2(C)C,[*]N1CCN([*])C1=O,0.4172936,False
21645,CCCCN(CC)C1COc2c(cccc2-c2ccc(N(C)C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51797205,False
21646,CCCN(CO)C1COc2c(CNC(C)=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49087957,False
21647,CCCc1cccc2c1OCC(N(CC#N)CCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5882357,False
21648,CCN1CCCC1CNC(=O)c1c(C)ccc(SC)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.68662626,False
21649,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2cc3cccc(OC)c3o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39175057,False
21650,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(C)c2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6183345,False
21651,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc3cc(O)[nH]c23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64299875,False
21652,Cc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3ccccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31807622,False
21653,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(OCCc2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9364295,False
21654,O=C(NCC=CCN1CCN(c2cccc(F)c2)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.502255,False
21655,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1c[nH]c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76067173,False
21656,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86538005,False
21657,O=C1N(CC2CCCCN2Cc2cccc(Cl)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.48441198,False
21658,O=C1N(CCN2CCCC(c3cccc(Cl)c3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.9093524,False
21659,O=C1N(CCN2CCCC(c3cccc(Cl)c3)CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.8682503,False
21660,O=C1N(CCN2COc3ccccc3C2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.57851833,False
21661,O=C1N(Cc2ccc(Cl)cc2)CCN1CC1CCc2ccsc2CC1,[*]N1CCN([*])C1=O,0.52843857,False
21662,O=C1N(Cc2cccc(Cl)c2)CCN1CN1CCCc2sccc2C1,[*]N1CCN([*])C1=O,0.48991978,False
21663,O=C1N(c2ccc(Cl)cc2Cl)CCN1C1CCCNCC1,[*]N1CCN([*])C1=O,0.27255756,False
21664,O=C1N(c2ccccc2Cl)CCN1C1CCCNCC1,[*]N1CCN([*])C1=O,0.24968033,False
21665,CC1(C)CC2c3ccccc3CC1(C)CCN2CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.6488472,False
21666,CCCN(CCC)C1COc2c(cccc2S(=O)(=O)c2cccc(C(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.576848,False
21667,CCCc1cccc2c1OCC(N(CCC)S(C)(=O)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5885642,False
21668,CCCc1cccc2c1OCC(N(CO)C1CCCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.45387787,False
21669,CCOc1ccc(C)cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48573804,False
21670,COc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c2cc[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9105975,False
21671,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc([N+](=O)[O-])s3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39575434,False
21672,Cc1ccc(CN2CCN(c3cccc(Cl)c3)C2=O)s1,[*]N1CCN([*])C1=O,0.39610893,False
21673,Cc1ccncc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9050071,False
21674,N#CCOc1cccc(N2CCN(c3cccc(C(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.31999734,False
21675,Nc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(F)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8672345,False
21676,O=C(NCC=CCN1CCN(c2cc[nH]c2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47314,False
21677,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc[nH]c1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83299166,False
21678,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9373033,False
21679,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1OCCC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80588216,False
21680,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc(F)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9085295,False
21681,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(-c2ccccc2)cs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90428394,False
21682,O=C1N(CC2Cc3ccccc3C2)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.53261817,False
21683,O=C1N(CCN2CCNCC2c2cccc(Cl)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7936648,False
21684,O=C1N(CCNCc2ccccc2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.37409478,False
21685,O=C1N(CN2CCCCC2c2ccc(Cl)cc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.46981466,False
21686,O=C1N(Cc2cc3ccccc3s2)CCN1CC1COOC1,[*]N1CCN([*])C1=O,0.44412452,False
21687,CC(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCCCCC1,[*]N1CCN([*])C1=O,0.42877024,False
21688,CC1CCCCN1CCN1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.6337384,False
21689,CC1CCCCN1Cc1cccc(N2CCN(CC(F)(F)F)C2=O)c1,[*]N1CCN([*])C1=O,0.43070078,False
21690,CCCCN(CC)C1COc2c(cccc2-c2ccc(C(F)(F)F)s2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51625884,False
21691,CCCN(O)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5348298,False
21692,CCOc1c(S)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6418801,False
21693,CCOc1ccc(N2CCN(CC(C)N3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.30373845,False
21694,CCc1ccc(C)c(C(=O)NCC2CCCN2Br)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15662442,False
21695,CN1CCC(C)(C)CC1CN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.6515078,False
21696,COc1ccc2c(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9377624,False
21697,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(C)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35544136,False
21698,O=C(NCC=CCN1CCN(c2ccc(F)c(O)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42116266,False
21699,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)C(NCCO)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9224081,False
21700,O=C(NCC=CCN1CCN(c2cccc3c(OCCF)cccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7078427,False
21701,O=C(NCC=CCN1CCN(c2cccc3ccc(OCCF)cc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69812995,False
21702,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc([N+](=O)[O-])cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5496854,False
21703,O=C1N(COC2CCCNC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.37962708,False
21704,O=C1N(Cc2ccc(Cl)cc2)CCN1C1NCC2CCc3ccccc3CC1CC2,[*]N1CCN([*])C1=O,0.47934636,False
21705,CC(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCC(C(F)(F)F)CC1,[*]N1CCN([*])C1=O,0.5113199,False
21706,CC1CCc2ccc(N3CCN(c4cccc(Cl)c4)C3=O)cc2Cc2cscc21,[*]N1CCN([*])C1=O,0.4108718,False
21707,CCCN(C)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7340097,False
21708,CCN(CC)CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.5765437,False
21709,CCc1cccc2c1OCC(N(COC)Cc1ccco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.34810066,False
21710,CN(C)c1ccc(C(=O)NCCN2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34898323,False
21711,CN1CCN(CCN2CCN(Cc3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6185978,False
21712,COC(F)(F)c1cccc(N2CCN(C3CCCOC3)C2=O)c1,[*]N1CCN([*])C1=O,0.22877605,False
21713,COc1cc(N2CCN(c3ccccc3)C2=O)cc2ccccc12,[*]N1CCN([*])C1=O,0.17926668,False
21714,COc1cc[nH]c1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8329359,False
21715,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc3c2-c2ccccc2CC(O)C3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6483046,False
21716,COc1ccccc1CN1CCN(CC=CCNC(=O)c2ccc(Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34521157,False
21717,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(N(C)c3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9108238,False
21718,Cc1cc(CN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)on1,[*]N1CCN([*])C1=O,0.25561792,False
21719,N#CCOc1cccc(N2CCN(c3cc(F)cc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.35737073,False
21720,O=C(NCC=CCN1CCN(C2=CC=C(c3ccccc3)[N+](=O)C=CC=C2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38257456,False
21721,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49816588,False
21722,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(F)cc1,[*]N1CCN([*])C1=O,0.8536129,False
21723,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.83252776,False
21724,O=C1N(CCN2Cc3ccccc3CC3CCCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.69590855,False
21725,O=C1N(CCNCc2ccc3ccsc3n2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.38000458,False
21726,CCCCN(CC)C1COc2c(cccc2NC(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2303743,False
21727,CCCc1cccc2c1OCC(N(CO)Cc1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5647708,False
21728,CCN1CCCC1CNC(=O)c1c(Br)ccc(SO)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.91810846,False
21729,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cc(C)ccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47877064,False
21730,COc1cccc(CN2CCN(c3cc4ccccc4s3)C2=O)c1,[*]N1CCN([*])C1=O,0.34013787,False
21731,COc1cccc(N2CCN(CN(C)CC34CCC(CC3)CC4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.60912734,False
21732,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccnc(F)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88374037,False
21733,Cc1cccc(N2CCN(CC=CCNC(=O)c3cc4ccccc4s3)CC2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6118292,False
21734,Cn1c(=O)c2ccccc2c2c(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cccc21,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6179414,False
21735,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)oc1ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8855993,False
21736,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(F)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8830918,False
21737,O=C1N(CC(=O)N2CCCC3CCCCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3425964,False
21738,O=C1N(CC2CCC(NCc3cccc(Cl)c3)CC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.30930644,False
21739,O=C1N(CCN2CCCCCC2)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.5573424,False
21740,O=C1N(CCN2CCN(Cc3ccccc3)CC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.7732516,False
21741,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc2ccc(Cl)cc2s1,[*]N1CCN([*])C1=O,0.81885886,False
21742,O=C1N(CN2CCC3CCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5686996,False
21743,O=C1N(c2cccc(C(F)(F)F)c2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.26308382,False
21744,CC(NCC#Cc1ccccc1)N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.35075164,False
21745,CCCCCN(CC)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.583533,False
21746,CCCCN(Cn1ccc(-c2ccccc2)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56584847,False
21747,CCCN(CC1CCC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6718757,False
21748,CCCN(CC1CCCC(=O)C1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52301526,False
21749,CCCN(CCC)C1COc2c(cccc2C(=O)c2coc(C(=O)O)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6472287,False
21750,CCCN(Cc1ccccc1O)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6332106,False
21751,CCCc1cccc2c1OCC(N(CCC)CC1CCCC(=O)C1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.48764977,False
21752,CCN1CCN(CCc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.43279862,False
21753,CCN1Cc2ccsc2CCC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5805917,False
21754,CCOc1c(C=O)ccc(Br)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2395522,False
21755,COCCc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44323066,False
21756,COc1ccc(C(=O)NN2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.21076544,False
21757,Cc1ccc2c(c1)CN(CCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.7576103,False
21758,NC(=O)c1ccc2c(c1)CCOC2CN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.2947274,False
21759,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccc(O)cc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9350714,False
21760,O=C1N(CC2CCCNC2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.37253624,False
21761,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc([N+](=O)[O-])c1,[*]N1CCN([*])C1=O,0.61232764,False
21762,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.91372365,True
21763,O=C1N(COCC2CCCCN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.54951733,False
21764,O=C1N(c2cccc(Cl)c2)CCN1C1CC2CCC1Cc1ccccc1CN2,[*]N1CCN([*])C1=O,0.45081314,False
21765,CC1(C)Cc2ccccc2CN1CCN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.53785264,False
21766,CC1CC2CCC(CN3CCN(CCN4Cc5ccccc5C4)C3=O)CC2C1,[*]N1CCN([*])C1=O,0.77362937,False
21767,CCCN(CC(C)=O)C1COc2c(cccc2-c2ccc(C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41428882,False
21768,CCCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1[N+](=O)[O-],[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15042445,False
21769,CCCc1cccc2c1OCC(N(CC)Cc1cc(C)c[nH]1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.50702155,False
21770,CCOc1ccccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.68976194,False
21771,CN(Cc1cccnc1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.43574202,False
21772,CO[N+](=O)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94000083,False
21773,COc1c(C(=O)NCCN2CCN(NCc3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3974734,False
21774,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3ccc(Cl)cc3)c[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4822193,False
21775,Cc1ccnc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3361745,False
21776,O=C(NCCN1CCN(c2ccccc2)C1=O)c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.29498035,False
21777,O=C1N(CCN2CCN(Cc3cc4ccccc4s3)CC2)CCN1c1cc(F)c(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.6367568,False
21778,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(Cl)cc1F,[*]N1CCN([*])C1=O,0.7935309,False
21779,O=C1N(CCOCc2cccc(Cl)c2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.61520344,False
21780,O=C1N(CN2CCN(Cc3ccc(F)c(Cl)c3)CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5114211,False
21781,O=C1N(Cc2ccc3sccc3c2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.19274986,False
21782,O=C1N(Cc2ccccc2)CCN1C1CCCCCC1,[*]N1CCN([*])C1=O,0.36031404,False
21783,CC1(C)C2CCCCC1N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.77211213,False
21784,CC1(C)c2ccccc2CN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7294517,False
21785,CCCN(CCC)C1COc2c(cccc2Oc2cccc3ccccc23)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.60647,False
21786,CCCN(Oc1ccc(C(F)(F)F)cc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.61568296,False
21787,CCc1ccc(C)c(OO)c1C(=O)NCC1CCCN1CCCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.39863437,False
21788,CN(C)CCN1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.4840773,False
21789,COCC1CCCCN1CN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.32130522,False
21790,COc1c(C(=O)NCCN2CCN(c3ccc(C=O)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8699051,False
21791,COc1ccc(-c2c(C(=O)NCCN3CCN(O)CC3)cc(Br)c3ccccc23)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.40139022,False
21792,COc1ccc2nccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8307236,False
21793,COc1cccc(F)c1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31525302,False
21794,COc1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.86464757,True
21795,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OCC=O)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40162307,False
21796,O=C(NCC=CCN1CCN(C2=CC=c3c4cccc3c([nH]4)C=CC=CC=C2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3959256,False
21797,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(N(CCF)c2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8973337,False
21798,O=C(NCC=CCN1CCN(c2ccn(-c3ccccc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46523368,False
21799,O=C1N(CCN2C=Cc3ccsc3CC2)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.4176296,False
21800,CC(C)(C)c1ccc(N2CCN(CCN3CCc4ccc(C(C)(C)C)cc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.7001315,False
21801,CCCCN(CC)C1COc2c(cccc2-c2ccc3[nH]ccc3c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47878775,False
21802,CCCCN(O)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4675493,False
21803,CCCN(CC(=O)c1cc[nH]c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42447704,False
21804,CCCN(CCC)C1COc2c(cccc2-c2c[nH]c(-c3ccccc3)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.78552103,False
21805,CCCN(O)C1COc2c(Cc3ccco3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4274088,False
21806,CCCc1cccc2c1OCC(N(CC)CC(=O)N(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.37719598,False
21807,CCN(CC(C)C)C1COc2c(cccc2OC(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.25790212,False
21808,CCN1CCN(CCN2CCCCCC2)C1=O,[*]N1CCN([*])C1=O,0.55033886,False
21809,CCOc1c(Cl)ccc(O)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2115294,False
21810,CCc1ccc(O)c(C(=O)NCC2CCCN2Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27762392,False
21811,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2c[nH]c3ccccc23)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39808586,False
21812,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccsc2C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.40013394,False
21813,Cc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c(N)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5325732,False
21814,O=C(NCC=CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(Cl)c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4283153,False
21815,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8549433,False
21816,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1cc2ccc(OCCF)cc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44248453,False
21817,O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1CC1CCCCC1,[*]N1CCN([*])C1=O,0.41518405,False
21818,O=C1N(c2ccc(Cl)cc2)CCN1C1CCCNCC1,[*]N1CCN([*])C1=O,0.31156045,False
21819,CC(OCN1CCN(c2ccccc2)C1=O)N1CCCCCC1,[*]N1CCN([*])C1=O,0.28847295,False
21820,CC1(CN2CCN(c3cccc(Cl)c3)C2=O)CC2CCN(C1)C(C)(C)C2,[*]N1CCN([*])C1=O,0.613305,False
21821,CC=S(c1ccccc1)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.80702865,False
21822,CCCc1cccc2c1OCC(N(CCC)c1ccc(C)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5058248,False
21823,CN(C)Cc1cccc(N2CCN(C[N+]3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.34657988,False
21824,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.64164215,False
21825,CN(Cc1nccs1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.37725127,False
21826,COCC1C2CCCC1CN(CN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.4719697,False
21827,COc1cc(CN(C)C)ccc1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.39127117,False
21828,COc1ccc(Br)cc1N1CCN(CC=CCNC(=O)c2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5221268,False
21829,COc1ccc2[nH]c(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9754636,False
21830,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(OCCF)ccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5498266,False
21831,O=C(CN1CCN(CCN2Cc3ccccc3C2)C1=O)c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.54837537,False
21832,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47977498,False
21833,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)s2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41242087,False
21834,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c(O)[nH]c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89772886,False
21835,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccnc2O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8707337,False
21836,O=C(NCC=CCN1CCN(c2ncccc2Cl)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.387632,False
21837,O=C1N(CC2(CF)CCCCC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.31952056,False
21838,O=C1N(Cc2ccc(Cl)cc2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.31040344,False
21839,O=C1N(c2ccc3sccc3c2)CCN1c1cc2c(s1)CCCNCC2,[*]N1CCN([*])C1=O,0.27621657,False
21840,CCN(CC(C)C)C1COc2c(cccc2-c2ccc(Cl)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56518686,False
21841,CCc1ccc(C)c(O[N+](=O)[O-])c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.13373056,False
21842,CCc1cccc2c1OCC(N(CCC(C)C)c1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5172594,False
21843,CN(CN1CCN(c2cccc(OC(F)(F)F)c2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.4905064,False
21844,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccsc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7142193,False
21845,COc1c(F)cccc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.816748,False
21846,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.58825517,False
21847,COc1ccccc1C(=O)NCC=CCN1CCN(c2c(Cl)ccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4222928,False
21848,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccnc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42273992,False
21849,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9239369,False
21850,Cc1cccc(C(C)N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8206784,False
21851,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51715523,False
21852,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5117418,False
21853,O=C(NCC=CCN1CCN(c2ncccc2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.413411,False
21854,O=C1N(CC2CNCc3ccccc32)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.634362,False
21855,O=C1N(CCN2CCCC3CCC32c2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.743523,False
21856,O=C1N(CCN2CCCCC23Cc2ccccc2CN3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6805194,False
21857,O=C1N(CCN2CCCc3cscc3C2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.7846509,False
21858,O=C1N(Cc2cccc(Cl)c2)CCN1CC1CCNCC1,[*]N1CCN([*])C1=O,0.42103755,False
21859,CC1CN(CCN2CCN(c3cccc(C(F)(F)F)c3)C2=O)CO1,[*]N1CCN([*])C1=O,0.75198776,False
21860,CCCCCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6228357,False
21861,CCCN(COc1ccc(C(F)(F)F)cc1S(C)(=O)=O)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51915514,False
21862,CCCOC1CC(CN2CCN(c3ccccc3)C2=O)Cc2ccccc21,[*]N1CCN([*])C1=O,0.37195978,False
21863,CCOc1c(C(C)=O)ccc(SC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23116104,False
21864,CN(C)c1ccc(N2CCN(CC=CCNC(=O)c3cccc(OCCF)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44560778,False
21865,CN1CCc2ccc(N3CCN(CC(=O)N4CCc5ccccc54)C3=O)cc21,[*]N1CCN([*])C1=O,0.2692403,False
21866,COC(=O)c1c(C(=O)NCCN2CCN(c3ccc(C)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.5820676,False
21867,COCC1C2CCCC1CN(CCN1CCN(c3ccc(F)cc3)C1=O)C2,[*]N1CCN([*])C1=O,0.64578396,False
21868,COc1cccc(CN2CCC(N3CCN(CC(F)(F)F)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.6189083,False
21869,Cc1cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38747737,False
21870,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.988125,True
21871,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccsc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9619075,False
21872,O=C(NCC=CCN1CCN(c2cccc3[nH]ccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64418405,False
21873,O=C1N(CC2CCCCN2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.4887186,False
21874,O=C1N(CC2CCc3ccccc3N2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5764845,False
21875,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.83487016,False
21876,CC(C)N(C)Cc1cccc(CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.40267602,False
21877,CCCN(C1COc2c(cccc2-c2cccs2)C1)C(C)(C)C,[*]CN([*])C1COc2c([*])cccc2C1,0.6756975,False
21878,CCCN(CCN1CC2(CCCC2)C(=O)CC1=O)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.60766035,False
21879,CCCOc1ccc(OC)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24664314,False
21880,CCCc1cccc2c1OCC(N(CCc1ccccc1)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4018005,False
21881,CCOCN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.2889605,False
21882,CCOc1c(C)ccc(C=O)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.13611326,False
21883,COC1c2ccsc2CCC1CN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.2806992,False
21884,COCC1C2CCC1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.9065641,False
21885,COCC1C2CCC1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.72599334,False
21886,COc1cccc(N2CCN(CCN(C)CC34CCC(CC3)CC4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.7349543,False
21887,Cc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32340726,False
21888,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(NC(F)(F)F)nc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4590083,False
21889,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2c[nH]c(O)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95898265,False
21890,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.98878837,True
21891,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(-c2ccc(Cl)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6476697,False
21892,O=C1N(CC2CCCc3occc32)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.41068769,False
21893,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1Cc1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.81546474,False
21894,O=C1N(CCNCc2cscn2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.27632985,False
21895,CCCCOc1c(COC)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27889028,False
21896,CCOc1ccc(N2CCN(CC=CCNC(=O)c3ccc(OCCF)c(F)c3)CC2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2747136,False
21897,COc1c(C(=O)NCCN2CCN(c3ccccc3N)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8725781,False
21898,COc1c(F)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(O)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6727725,False
21899,COc1cccc(CN2CCN(C3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.33994335,False
21900,COc1cccc(CNC(=O)CN2CCN(CC(F)(F)F)C2=O)c1,[*]N1CCN([*])C1=O,0.073235616,False
21901,COc1cccc(Cl)c1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38092598,False
21902,COc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3N)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8161887,False
21903,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(F)nc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45777744,False
21904,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccon3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40598613,False
21905,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(-c3ccsc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94973665,False
21906,Cc1ccc(C)c(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2830871,False
21907,Cc1ccc(N2CCN(C3CCCOC3)C2=O)c(C)n1,[*]N1CCN([*])C1=O,0.14746408,False
21908,O=C(NCC=CCN1CCN(c2cc(Br)ccc2OCCF)CC1)c1ccccc1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48697916,False
21909,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(C(F)(F)F)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76813155,False
21910,O=C(NCC=CCN1CCN(c2sccc2OCCF)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38150468,False
21911,O=C(NCCN1CCN(CO)CC1)c1cc(Br)c2ccccc2c1-c1ccccc1[N+](=O)[O-],[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38718724,False
21912,O=C1N(CCN2CCC3CCc4ccccc4CC2CC3)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.57370013,False
21913,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc2c(c1)OCCC2,[*]N1CCN([*])C1=O,0.6945343,False
21914,CC1CCC2CCC1(CN1CCN(CC(F)(F)F)C1=O)C2,[*]N1CCN([*])C1=O,0.28794128,False
21915,CCCCN(CC)C1COc2c(cccc2-c2ccc(C(C)(C)C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5807556,False
21916,CCCN(CCC)C1COc2c(Cc3cccc(OC)c3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7041862,False
21917,CCCc1cccc2c1OCC(N(CCC)Cc1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.54689085,False
21918,CN(C)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.975596,False
21919,COCCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.736462,False
21920,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccccc2N)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69002056,False
21921,COc1cc(OC)c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9377868,False
21922,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1OCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8981667,False
21923,COc1cccc(N2CCN(C3CCCCCN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.34028026,False
21924,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(Br)cc(OC)c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.57978034,False
21925,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(N(C)C)ccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8821113,False
21926,COc1ccccc1Oc1cccc(C(=O)NCC=CCN2CCN(c3ccccn3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3875976,False
21927,Cc1cccc(N2CCN(CCN3CCCCC(C)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7474604,False
21928,Nc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56722766,False
21929,O=C(CCc1ccc(O)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68784827,False
21930,O=C(NCC=CCN1CCN(CNCCO)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30479664,False
21931,O=C(NCC=CCN1CCN(c2ccc3c(c2)C(=O)C(F)CC3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4908414,False
21932,O=C(NCC=CCN1CCN(c2cnc3cccc(O)c3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42486155,False
21933,O=C1N(CCN2C3CCCCC2Cc2ccccc2C3)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.59614366,False
21934,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(Br)cc1,[*]N1CCN([*])C1=O,0.84533995,False
21935,CC(C)N1CCN(CN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.40735164,False
21936,CC1(C)CC2CC(CN3CCN(c4cccc(Cl)c4)C3=O)(CCN2)C1,[*]N1CCN([*])C1=O,0.5504094,False
21937,CC1(C)CCc2ccccc2N1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5576299,False
21938,CC1(CN2CCN(c3cc(Cl)ccc3F)C2=O)CCNCC1,[*]N1CCN([*])C1=O,0.31988463,False
21939,CC1CC2CCC(C2)C(CN2CCN(c3cccc(Cl)c3)C2=O)N1,[*]N1CCN([*])C1=O,0.59716976,False
21940,CCCCN(CC)C1COc2c(cccc2C(=O)OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3539263,False
21941,CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.59594065,False
21942,CCCN(Cc1ccn(C)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.607856,False
21943,CCCc1cccc2c1OCC(N(CC)CNC(=O)C(C)(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.38593787,False
21944,CCc1cccc2c1OCC(N(O)CCCc1ccc(C)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3037284,False
21945,CN(CCN1CCN(c2ccccc2Cl)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.62648517,False
21946,COc1ccc(-c2ccccc2)cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56402194,False
21947,COc1ccc2cccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4F)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7050178,False
21948,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cccc(Cl)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40829772,False
21949,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Oc3ccccc3F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.909244,False
21950,O=C(NCC=CCN1CCN(c2ccc(CF)c(Cl)c2)CC1)c1cccc(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47431836,False
21951,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1C(=O)NCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87228024,False
21952,O=C(NCC=CCN1CCN(c2cccc3ccccc23)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7240876,False
21953,O=C(NCC=CCN1CCN(c2ccccc2O)CC1)c1ccccc1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7320956,False
21954,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(CCO)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93624467,False
21955,O=C1N(CCN2CCC3(CCCCOC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.68288225,False
21956,CCCN(Cc1cocn1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5545532,False
21957,CCCc1cccc2c1OCC(N(CC)COC(=O)c1ccc(Br)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.28122467,False
21958,CCn1ccc2cc(N3CCN(c4ccsc4C(F)(F)F)C3=O)ccc21,[*]N1CCN([*])C1=O,0.22361663,False
21959,CN(CCN1CCN(c2ccc(F)cc2)C1=O)Cc1cccs1,[*]N1CCN([*])C1=O,0.6098786,False
21960,CN1CCc2ccc(N3CCN(c4cc5ccccc5n4C(F)(F)F)C3=O)cc21,[*]N1CCN([*])C1=O,0.32826176,False
21961,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9115931,False
21962,COc1ccc2ccc(N3CCN(c4csc5ccccc45)C3=O)cc2c1,[*]N1CCN([*])C1=O,0.17883565,False
21963,COc1ccccc1C(=O)NCC=CCN1CCN(C=Cc2ccc([N+](=O)[O-])cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.17702042,False
21964,Cc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35765132,False
21965,Nc1ccc(OCCF)c(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5956042,False
21966,O=C(NCC=CCN1CCN(c2ccc(Oc3ccncc3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48825693,False
21967,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc([N+](=O)[O-])cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92818993,True
21968,O=C(NCC=CCN1CCN(c2ccccc2-c2ccc(O)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8446825,False
21969,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(-c2ccccn2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8608646,False
21970,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92505425,False
21971,O=C1N(CCN2CC3CCCC2Cc2ccccc2C3)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.5766744,False
21972,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.8979161,False
21973,O=C1N(Cc2cccc(Cl)c2)CCN1Cc1cccc([N+](=O)[O-])c1,[*]N1CCN([*])C1=O,0.19808699,False
21974,O=C1N(c2cccc(Cl)c2)CCN1C1CCCCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.40149575,False
21975,CC(C)Oc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.8622063,False
21976,CC(C)c1cccc(N2CCN(CC3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.49318862,False
21977,CC12CCC(N(CCN3CCN(c4cccc(Cl)c4)C3=O)CC1)C(C)(C)C2,[*]N1CCN([*])C1=O,0.8524185,False
21978,CCCCN(CC)C1COc2c(cccc2-c2ccc(C(F)(F)F)cn2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49117023,False
21979,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86020416,False
21980,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cc([N+](=O)[O-])ccc2[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35211208,False
21981,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(C)o2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3428882,False
21982,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C#Cc2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.46649098,False
21983,COc1c(C(=O)NCCN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3187874,False
21984,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccc3c2Cc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7032027,False
21985,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6290541,False
21986,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)ccc1Oc1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40597084,False
21987,COc1cccc(CC2NCCCC2N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.4699782,False
21988,COc1ccccc1C(=O)NCC=CCN1CCN(NCc2ccccc2[N+](=O)[O-])CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.18357301,False
21989,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(F)ccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6253346,False
21990,Nc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5930898,False
21991,O=C(NCC=CCN1CCN(c2cccc(-c3ccccc3)c2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7433438,False
21992,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.6435073,False
21993,O=C1N(Cc2cccc(Cl)c2)CCN1Cc1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.2834305,False
21994,CC(=O)N(CC(C)C)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2402592,False
21995,CC1(C)CCC2CCCC1N2CCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.44916373,False
21996,CCC1C2CC(CCN1CCN1CCN(c3cccc(Cl)c3)C1=O)C2(C)C,[*]N1CCN([*])C1=O,0.6950393,False
21997,CCCCC1CCC2CCC2N1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.73084337,False
21998,CCCCN(c1cc(C)co1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46675184,False
21999,CCCc1cccc2c1OCC(N(CCN1CCC3(CNC(=O)C3)CC1=O)COC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.48612714,False
22000,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC1CCC2CCC1C2,[*]N1CCN([*])C1=O,0.77882224,False
22001,COc1cccc(N2CCN(c3cccc(CN(C)CCF)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.34479052,False
22002,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(O)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9496154,False
22003,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)-c2ccccc2OC3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77369845,False
22004,Cc1cc(F)cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8453747,False
22005,Cc1coc(CN2CCN(Cc3ccc(Cl)nc3)C2=O)c1,[*]N1CCN([*])C1=O,0.18074878,False
22006,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccc(-c2ccc(O)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5435998,False
22007,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1cc2cc(OCCF)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5319918,False
22008,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c[nH]c2c(OCCF)cccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79557675,False
22009,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCF)c(Oc2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8663075,False
22010,O=C1N(CC2CC3CCC2CNC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.611207,False
22011,O=C1N(CCCN2CCc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.73455286,False
22012,O=C1N(CCN2CCC(COc3cccc(Cl)c3)CC2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.765133,False
22013,O=C1N(CCN2CCC3CCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8002062,False
22014,O=C1N(Cc2cccnc2)CCN1CC1CCCCN1,[*]N1CCN([*])C1=O,0.4663394,False
22015,CC(C)(C)CC1CCC2(CC1)CN2CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5951577,False
22016,CC1(C)C2CCC1(CN1CCN(CCN3Cc4ccccc4C3)C1=O)CC2,[*]N1CCN([*])C1=O,0.8007415,False
22017,CCCCN(c1ccccc1)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.34367466,False
22018,CCCN(CCC)C1COc2c(cccc2C(=O)Nc2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3570697,False
22019,CCCc1ccc(CC)c(C(=O)NCC2CCCN2C)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20809542,False
22020,CCCc1cccc2c1OCC(N(CC)c1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.54673,False
22021,CCCc1cccc2c1OCC(N(CCC)c1ccc(C(F)(F)F)cc1OC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5359167,False
22022,CN1CCCCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5384545,False
22023,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(C)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34221688,False
22024,COc1cccc(N2CCN(CC=CCNC(=O)c3ccccn3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8151859,False
22025,Cc1csc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41424093,False
22026,Nc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5031002,False
22027,O=C(NCC=CCN1CCN(c2ccc3ccccc3c2O)CC1)c1c(F)cccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52393985,False
22028,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1c[nH]cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.819159,False
22029,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(COCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9729269,False
22030,O=C(NCC=CCN1CCN(c2ccncc2)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44618008,False
22031,O=C1N(CCN2CCc3oc4ccccc4c3CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.777128,False
22032,O=C1N(Cc2cc(Cl)ccc2Cl)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.6397475,False
22033,O=C1N(Cc2cccs2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.38713664,False
22034,CC1CCCCN(CCN2CCN(c3ccccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.51291525,False
22035,CCCc1cccc2c1OCC(N(CC)Cc1occc1C(=O)OC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.2903735,False
22036,CCCc1cccc2c1OCC(N(CCC)CC(=O)c1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.42455557,False
22037,CCOc1c(C=O)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17762372,False
22038,CCOc1c(O)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17799908,False
22039,COCC1CCc2cc(N3CCN(c4cccc(Cl)c4)C3=O)ccc2N1,[*]N1CCN([*])C1=O,0.61026675,False
22040,CO[N+](=O)N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35683128,False
22041,COc1cccc2c(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)csc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5918832,False
22042,Cc1cccc(N2CCN(CCN3CCCCCC3)C2=O)c1F,[*]N1CCN([*])C1=O,0.6607798,False
22043,Cc1cccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7589884,False
22044,O=C(NCC=CCN1CCN(Oc2ccc3[nH]c(O)cc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.25558937,False
22045,O=C(NCC=CCN1CCN(c2cc(OCCF)cc3[nH]cnc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45617127,False
22046,O=C(NCC=CCN1CCN(c2ccc3c(c2)-c2ccccc2-3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49369767,False
22047,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(F)c(F)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86376905,False
22048,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccccc2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8035586,False
22049,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(O)ccc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9130578,False
22050,O=C(NCCN1CCN(O)CC1)c1cc(Br)c2ccccc2c1-c1ccccc1Cl,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.47534728,False
22051,O=C(NCc1cccs1)N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.16721956,False
22052,O=C1N(CCN2Cc3ccccc3C2)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.8920869,False
22053,C=S(O)c1ccc(OC)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.91890424,False
22054,CC(C)N(CO)C1COc2c(cccc2C2CCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4319247,False
22055,CC(C)N1CCN(c2cc(Cl)cc(F)c2Cl)C1=O,[*]N1CCN([*])C1=O,0.18056741,False
22056,CCCCN(C1CC1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49125892,False
22057,CCCCN(Cc1cccs1)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46868455,False
22058,CCCN1CCc2ccccc2C1CN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.66572917,False
22059,CCCc1cccc2c1OCC(N(CC)CS(=O)(=O)C(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5198025,False
22060,CCCc1cccc2c1OCC(N(CCC)C(=O)c1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.43060803,False
22061,CCN(CC(C)C)C1COc2c(cccc2-n2ccc(OC)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51078814,False
22062,CN1c2ccccc2CC2CCC1CC2N1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.41905028,False
22063,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93345886,False
22064,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Cl)c([N+](=O)[O-])c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4087428,False
22065,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2Oc2ccc(C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82881534,False
22066,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(OCCF)c(F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9256908,False
22067,Cc1[nH]c(-c2ccccc2)cc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.61614907,False
22068,Cc1ccc(C)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8779507,False
22069,N#CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.77135193,False
22070,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccc(F)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93938226,False
22071,O=C1N(c2cccc(F)c2)CCN1C1CCN(Cc2ccsc2)CC1,[*]N1CCN([*])C1=O,0.6646278,False
22072,CC1(C)CCN(Cc2ccccc2)CC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5737228,False
22073,CCN(C)CN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.44618002,False
22074,CN(CN1CCN(c2cccc(Cl)c2)C1=O)C1CCNCC1,[*]N1CCN([*])C1=O,0.6469648,False
22075,CN(c1ccccc1)c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7961428,False
22076,CNN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2Cl)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4388534,False
22077,COc1c(C(=O)NCCN2CCN(c3ccccc3N3CCOC3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7212742,False
22078,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67543185,False
22079,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.57295656,False
22080,COc1ccc(F)c(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5740839,False
22081,COc1ccc2c(c1)Cc1ccc(cc1N1CCN(CC=CCNC(=O)c3cccc(OC)c3F)CC1)CC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.547884,False
22082,COc1cccc2c(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)csc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8076592,False
22083,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(C)ccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50703895,False
22084,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3ccccc3cn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38501018,False
22085,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(F)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9369148,False
22086,O=C1N(CC2CCN(Cc3ccccc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8680243,False
22087,O=C1N(CCc2ccccc2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4501722,False
22088,O=C1N(CN2CCSC(Cc3ccccc3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5969744,False
22089,O=C1N(Cc2cc(-c3ccccc3)co2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.32650757,False
22090,O=C1N(Cc2ccc3c(c2)CNCCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.45132405,False
22091,O=C1N(c2cccc(Cl)c2)CCN1c1ccc2c(c1)C(c1ccccc1)OCC2,[*]N1CCN([*])C1=O,0.40198055,False
22092,CC(C)N1CCN(Cc2ccccc2F)C1=O,[*]N1CCN([*])C1=O,0.2889055,False
22093,CCCCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6314726,False
22094,CCCSc1ccc(CC)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19062853,False
22095,CCOc1c(OC)cccc1N1CCN(CC=CCNC(=O)c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6721081,False
22096,CCOc1ccc(CC)c(C(=O)NCC2CCCN2C)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23452364,False
22097,CN1CCN(CCc2nc3ccccc3s2)C1=O,[*]N1CCN([*])C1=O,0.3895161,False
22098,CNCC12CCC(CC(CN3CCN(c4cccc(Cl)c4)C3=O)C1C)C2(C)C,[*]N1CCN([*])C1=O,0.6078171,False
22099,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(O[N+](=O)[O-])cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.22255345,False
22100,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2Oc2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.46503344,False
22101,COc1ccc2c(c1)CN(CCN1CCN(c3ccc(Cl)c(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.65856844,False
22102,Cc1cc(=O)oc2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2936596,False
22103,Cc1cccc(N2CCN(C3Cc4sccc4CCN3C)C2=O)n1,[*]N1CCN([*])C1=O,0.48429233,False
22104,Cc1cccc(N2CCN(Cc3ccc4c(c3)CCNCC4)C2=O)c1,[*]N1CCN([*])C1=O,0.37092942,False
22105,O=C(NCC=CCN1CCN(c2ccc(-c3cnccn3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.515654,False
22106,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90902275,False
22107,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97550344,False
22108,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1ccccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.40940997,False
22109,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(-c2ccccc2)c1,[*]N1CCN([*])C1=O,0.9260438,False
22110,O=C1N(CN2Cc3ccccc3C2)CCN1c1cc(Cl)c(F)cc1F,[*]N1CCN([*])C1=O,0.5639522,False
22111,CC(C)C1CN(CCN2CCN(c3ccc(F)c(Cl)c3)C2=O)CCN1,[*]N1CCN([*])C1=O,0.69697905,False
22112,CC(C)c1cccc(CN2CCN(CC34CCC(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.33339456,False
22113,CC(C)c1cccc(N2CCN(C3CCCCN3Cc3ccc(Cl)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.259002,False
22114,CC(C)c1cccc2c1OCC(N(CO)C1CCCC(=O)C1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3427297,False
22115,CCCc1cccc2c1OCC(N(CCCN1C(=O)CC(C)(C)CC1=O)CC(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.43613815,False
22116,CCCc1cccc2c1OCC(N(CO)CCCN1CC(=O)CC3(CCCC3)CC1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.48879737,False
22117,CN(CCF)CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.8085451,False
22118,COc1cc(Br)cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5643114,False
22119,COc1cccc(C(=O)NCC=CCN2CCN(c3cc4cc(F)ccc4[nH]3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35169145,False
22120,COc1cccc(Oc2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40502483,False
22121,COc1ccccc1C(=O)NCC=CCN1CCN(c2[nH]c(O)cc2-c2ccc(Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34518725,False
22122,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(Br)ccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48254052,False
22123,Cc1c[nH]c(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2923462,False
22124,Nc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9465647,False
22125,O=C(NCC=CCN1CCN(Cc2ccc(-c3cccc(O)n3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37871876,False
22126,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1cccs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53455573,False
22127,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccccc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81821513,False
22128,O=C1N(Cc2ccc(Cl)c(F)c2)CCN1C1COCCN1,[*]N1CCN([*])C1=O,0.30061066,False
22129,O=C1N(Cc2ccccc2)CCN1C1CCCCNC1,[*]N1CCN([*])C1=O,0.38503805,False
22130,O=C1N(c2cccc(Cl)c2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.3561468,False
22131,CCN1CCCC1CNC(=O)c1c(C)ccc(C)c1OC=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.65552115,False
22132,CCN1CCN(CCN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6601607,False
22133,CCc1ccc(C)c(OSC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16321193,False
22134,CN(C)CCN1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.54287887,False
22135,CN(CC1CCCCC1)CN1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.5085451,False
22136,COc1c(C(=O)NCCN2CCN(c3cccc([N+]([O-])[O-])c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8004141,False
22137,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc(F)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39416847,False
22138,COc1cccc(N2CCN(C3CCNCC3C(C)OC)C2=O)c1,[*]N1CCN([*])C1=O,0.28422084,False
22139,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccnc3O)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8313043,False
22140,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(OC(F)(F)F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8321458,False
22141,Cc1cccc(N2CCN(c3ccc(C4CCCNC4)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.22891152,False
22142,O=C(NCC=CCN1CCN(c2cc3cc(O)ccc3[nH]2)CC1)c1ccc(F)cc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.325975,False
22143,O=C(NCC=CCN1CCN(c2ccc3[nH]ccc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.482809,False
22144,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2)c(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9428715,False
22145,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccsc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82018626,False
22146,O=C(NCC=CCN1CCN(c2cccc3c2CC=CC=C3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46082345,False
22147,O=C(NCC=CCN1CCN(c2csc3cccc-3c2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.636797,False
22148,O=C1N(CCN2C3CCCCC2Cc2ccccc2C3)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.63998187,False
22149,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.2748082,False
22150,C=C(c1ccoc1)c1cccc2c1OCC(N(CCC)CCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.63843113,False
22151,CC1(C)C2CCC1(CN1CCN(c3ccccn3)C1=O)CC2,[*]N1CCN([*])C1=O,0.30843198,False
22152,CC1(C)CCNc2cc(CCN3CCN(c4cccc(Cl)c4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.63212514,False
22153,CC1C2CCC(CNCCN3CCN(c4ccccc4Cl)C3=O)(CC2)C1(C)C,[*]N1CCN([*])C1=O,0.3540071,False
22154,CCCCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.595415,False
22155,CCCCN(O)C1COc2c(cccc2C2CCCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47883004,False
22156,CN(Cc1cccc(C(F)(F)F)c1)CN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.4140558,False
22157,COCC1CCCN1CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.39954814,False
22158,COc1cccc(N2CCN(CCN3CCCC(C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8975654,False
22159,COc1cccc(N2CCN(CN(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.3985849,False
22160,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2C(C)C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87196636,False
22161,Nc1ccc(Cl)cc1N1CCN(CCN2CCCc3ccsc3C2)C1=O,[*]N1CCN([*])C1=O,0.6460912,False
22162,O=C(NCC=CCN1CCN(c2cc3cc(OCCF)ccc3cc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5643349,False
22163,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)N1CCC(Nc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6486943,False
22164,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2cccc(F)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9619513,False
22165,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc2ccccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8420463,False
22166,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccnc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92386484,False
22167,O=C(NCC=CCN1CCN(c2ccnc(O)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44959107,False
22168,O=C1N(CCN2CCc3ccccc32)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.35558546,False
22169,O=C1N(CCc2cccc(Cl)c2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.49007186,False
22170,O=C1N(Cc2cccc(Cl)c2Cl)CCN1CC1CCCCN1,[*]N1CCN([*])C1=O,0.43089253,False
22171,C#CCN1CCCc2ccccc2C1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5259754,False
22172,CC(CF)(CN1CCN(c2cccc(Cl)c2)C1=O)NC1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.58695114,False
22173,CCCCN(CC)C1COc2c(cccc2-c2cc(C(F)(F)F)ccc2O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49366897,False
22174,CCCCN(CCC)C1COc2c(cccc2-c2cnoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6463815,False
22175,CCCc1ccc(C)c(OS)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17267294,False
22176,CCN(CC(C)=O)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.27810144,False
22177,CN1CCN(CCN2CCN(c3cccnc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.77782136,False
22178,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(C=O)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38421667,False
22179,COc1c(O)cccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94784546,False
22180,COc1cc(Br)cc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8128997,False
22181,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c(-c3ccccc3C)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7557135,False
22182,Cc1ccc(CN2CCN(c3ccc(F)cc3)C2=O)cc1,[*]N1CCN([*])C1=O,0.24551323,False
22183,O=C(NCC=CCN1CCN(c2cc3c(OCCF)cccc3[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40010494,False
22184,O=C(NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2-3)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45475927,False
22185,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2c(O)cccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9605469,False
22186,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c(F)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7517188,False
22187,O=C1N(CC2CCc3ccccc3O2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6145954,False
22188,O=C1N(CCNC2CCc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5816635,False
22189,O=C1N(CCc2cccc(Cl)c2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.49107885,False
22190,CC(C)c1cccc(N2CCN(CC(C)N3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.2788263,False
22191,CC1Cc2ccccc2CC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.65546453,False
22192,CCCCc1ccc(C)c(OCC)c1C(=O)NCC1CCCN1F,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1404177,False
22193,CCc1ccc(SC)c(OCl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23555213,False
22194,CN1CCCCCC1CN1CCN(c2cccs2)C1=O,[*]N1CCN([*])C1=O,0.31719962,False
22195,COc1c(C(=O)NCCN2CCN(c3cc([O-])cc(Cl)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7897562,False
22196,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccn3nccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5570783,False
22197,COc1cnccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8623289,False
22198,Cc1cccc(N2CCN(C3COc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.41897404,False
22199,N[N+](=O)c1ccccc1C(=O)NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48217794,False
22200,O=C(NCC=CCN1CCN(c2ccc(O)nc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48416284,False
22201,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-n2ccc(Cl)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8695454,False
22202,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc([N+](=O)[O-])cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.814858,False
22203,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1csnc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.858541,False
22204,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9124809,False
22205,O=C1N(CC2CCCCNC2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.4396997,False
22206,O=C1N(CC2CCNCC2)CCN1c1ccc2c(c1)CCCCC2,[*]N1CCN([*])C1=O,0.46388528,False
22207,O=C1N(CCNC2CCCCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.4510321,False
22208,O=C1N(c2cccc(Cl)c2)CCN1C1CCC2(CCc3ccccc3C2)C1,[*]N1CCN([*])C1=O,0.43261674,False
22209,O=C1N(c2cccc(Cl)c2)CCN1C1CCCCN1CCc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.46449333,False
22210,CC1CCN(CCN2CCN(c3ccc(Cl)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7594764,False
22211,CC1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CCN1,[*]N1CCN([*])C1=O,0.92186165,False
22212,CCCN(Cc1ccccc1)C1COc2c(cccc2C2CCCC2C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7626889,False
22213,CCCN(c1cccnc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.55142,False
22214,CCN(CN1CCN(c2ccsc2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.45000437,False
22215,CN1CCC(c2cccc(N3CCN(c4cccc(Cl)c4)C3=O)c2)CC1,[*]N1CCN([*])C1=O,0.6177155,False
22216,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cc(C)cc[s+]2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.36628303,False
22217,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc4c(c3)Cc3ccccc3-4)CC2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3856731,False
22218,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(N(C)c3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42243695,False
22219,C[N+](O)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89224845,False
22220,Cc1ccc(N2CCN(CC(=O)N3c4ccccc4CC3C)C2=O)cc1F,[*]N1CCN([*])C1=O,0.21401823,False
22221,Cc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3941316,False
22222,O=C(NCC=CCN1CCN(OC(=O)C2c3ccccc3-c3ccccc32)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37557033,False
22223,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(CO)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9749257,False
22224,O=C1N(CC2CCCCC2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.35885507,False
22225,O=C1N(CC2Cc3ccccc3C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.61050963,False
22226,O=C1N(CCN2CCCCC2c2ccccc2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.37639663,False
22227,O=C1N(CCN2CCc3ccsc3CC2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.62972575,False
22228,O=C1N(c2ccccc2)CCN1C1CNCCC1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.28117156,False
22229,CC(C)NCc1cccc(N2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.21133359,False
22230,CC1(C)C2CCC1(c1ccccc1)CC(CN1CCN(c3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.47703087,False
22231,CCCCN(CC)C1COc2c(cccc2C(=O)NCc2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2556176,False
22232,CCCc1cccc2c1OCC(N(CC)Cc1cocn1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5268224,False
22233,CCOc1ccc2[nH]c(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3561835,False
22234,Cc1ccc(Br)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8919098,False
22235,Cc1ccc2c(c1)N(C(=O)CN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.2417393,False
22236,Cc1ccccc1C(=O)NCC=CCN1CCN(c2cccs2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34066162,False
22237,N#Cc1cccc(N2CCN(CCCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.841783,False
22238,Nc1ccc(O)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90822047,False
22239,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)OCc1ccc([N+](=O)[O-])cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.887791,False
22240,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc[nH]c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76671463,False
22241,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(O)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8979213,False
22242,O=C(NCN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1)c1ccncc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30424315,False
22243,O=C1N(CCN2CCCC(C(F)(F)F)CC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.89928865,False
22244,O=C1N(CCN2CCCCc3ccccc32)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.33799693,False
22245,O=C1N(CCN2COc3ccccc3C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6929118,False
22246,O=C1N(CCNCc2ccccn2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.29625556,False
22247,O=C1N(Cc2ccc(F)c(Cl)c2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.2580129,False
22248,O=C1N(Cc2ccccc2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.3853929,False
22249,O=C1N(c2cccc(Cl)c2)CCN1c1ccccc1COC1CCNCC1,[*]N1CCN([*])C1=O,0.4875539,False
22250,CC(CN1CCN(c2ccc(F)cc2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.3882429,False
22251,CC1C2CCC2N(Cc2ccccc2)CC1(C)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.50521845,False
22252,CC1CCN(C(F)(F)CN2CCN(c3cccc(C(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.47335023,False
22253,CC1Cc2ccccc2CN1CN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.44846493,False
22254,CC1NCCCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.8035209,False
22255,CCCCN(CCC)C1COc2c(cccc2S(=O)(=O)C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.66587746,False
22256,CCCCN(c1cc2ccccc2o1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45240936,False
22257,CCCN(C(C)C)C1COc2c(cccc2-c2cc(C(F)(F)F)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51749676,False
22258,CCCN(CCC)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8594693,True
22259,CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(cccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7214783,False
22260,CCCN(Cc1cc(C(F)(F)F)c[nH]1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6231163,False
22261,CCCc1cccc2c1OCC(N(CCC)C(=O)C(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.49192873,False
22262,COc1cccc(C(C)N2CCN(Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.32879186,False
22263,COc1cccc(CN(C)CCN2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.73522097,False
22264,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cnc[nH]3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39540586,False
22265,COc1ccccc1N1CCN(CN(C)Cc2ccc(C)s2)C1=O,[*]N1CCN([*])C1=O,0.26334158,False
22266,O=C(C=CCNC(=O)c1cccc(F)c1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8175843,False
22267,O=C(NCC=CCN1CCN(c2cc[nH]c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45322788,False
22268,O=C1N(CC2CCNCC2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.4923234,False
22269,O=C1N(CCN2CCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.84039277,False
22270,O=C1N(CCN2CCc3ccoc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7656399,False
22271,C=C(C)c1cccc2c1OCC(N(CC)CO)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5743637,False
22272,C=CCN1CCCC1CNC(=O)c1c(C)ccc(O)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.44735497,False
22273,CC(C)N1CCN(CCN2CCN(c3cccc4sccc34)C2=O)CC1,[*]N1CCN([*])C1=O,0.7654876,False
22274,CC(C)Nc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7080785,False
22275,CCCCN(CCCC)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6829037,False
22276,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1ccsc1,[*]N1CCN([*])C1=O,0.7848773,False
22277,CN1CCCCCC1N1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.29882163,False
22278,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc([N+](N)=O)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35073495,False
22279,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(OCCF)cn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9371109,False
22280,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(OCCc3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9362593,False
22281,Cc1ccc(N2CCN(CC3CCCCCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.2756097,False
22282,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccccc2)ns1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9114051,False
22283,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1[N+](=O)F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93069243,False
22284,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccnc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94783455,False
22285,O=C1N(CC2CCCC3CCCCN3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.58006495,False
22286,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.8091791,False
22287,O=C1N(CCNCc2ccc3sccc3c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3252176,False
22288,O=C1N(CN2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.39925838,False
22289,C=S(=O)(O)c1ccc(OC)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8282701,False
22290,CC(=O)ON1CCN(CC=CCNC(=O)c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.251135,False
22291,CCNCCc1ccc(OC)c(OSC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21333897,False
22292,CCOc1ccc(C)c(OCC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14666487,False
22293,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC12CCCCC1CC2,[*]N1CCN([*])C1=O,0.82362115,False
22294,CNc1ccc(OC)cc1-c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.35993493,False
22295,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc([N+](=O)N(C)C)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37429768,False
22296,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2cccc(NCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3749818,False
22297,COc1ccc2cc(Cl)cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53652066,False
22298,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39038444,False
22299,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OC)c(-c3ccco3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37256795,False
22300,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3O)o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6512252,False
22301,N#Cc1cccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.9470881,True
22302,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc[nH]c1-c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.843381,False
22303,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc(-c2ccc(Cl)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93467814,False
22304,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1N1CCOCC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60042197,False
22305,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cccc(O)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93660206,False
22306,C=CCc1ccc(C)c(OSC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15987189,False
22307,CC(C)NCCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.41004795,False
22308,CCCC(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7554417,False
22309,CCCCN(CC)C1COc2c(cccc2C(=O)c2cccc(OC)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37801436,False
22310,CCCN(CC)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.70473766,False
22311,CCOc1c(OC)ccc(CO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24026956,False
22312,CN(CCN1CCN(Cc2cccc(Cl)c2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.48386234,False
22313,CN(CCN1CCN(c2ccc3sccc3c2)C1=O)C1CCCCc2ccccc21,[*]N1CCN([*])C1=O,0.5873057,False
22314,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1ccccn1,[*]N1CCN([*])C1=O,0.68460995,False
22315,COC(C)C1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.90292966,False
22316,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44712287,False
22317,COc1ccc(-c2cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)no2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7230955,False
22318,COc1ccc(-c2ccccc2C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89909095,False
22319,Cc1cccc(N2CCN(CCN3CCCCC3C)C2=O)c1,[*]N1CCN([*])C1=O,0.57136196,False
22320,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.45720294,False
22321,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9483249,False
22322,O=C1N(CC2CCCNCC2)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.45199972,False
22323,O=C1N(CC2Cc3ccccc3O2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.66821384,False
22324,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.72543174,False
22325,O=C1N(Cc2cccc(Cl)c2)CCN1CC1COc2ccccc2C1,[*]N1CCN([*])C1=O,0.55750334,False
22326,C#Cc1ccc(C(=O)N(CCC)C2COc3c(CCC)cccc3C2)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.33586338,False
22327,CC1CCCCCN1CCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.45432922,False
22328,CCCCN(C(=O)Oc1ccc(C(F)(F)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.31305176,False
22329,CCCN(CO)C1COc2c(CC(C)C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5860643,False
22330,CCN(CC(C)C)C1COc2c(cccc2-c2ccccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42838004,False
22331,CCOCN1CCN(CN(C)CC)C1=O,[*]N1CCN([*])C1=O,0.35646835,False
22332,CCOc1c(CC)ccc(S(C)(=O)=O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22900127,False
22333,CCc1ccc(C)c(OCOC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16626422,False
22334,CCc1ccc(CC)c(C(=O)NCC2CCCN2SC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23042561,False
22335,CCc1ccc(OC)c(C(=O)NCC2CCCN2N)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23641251,False
22336,COc1ccc(OCCF)cc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56463265,False
22337,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3O)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55995184,False
22338,COc1cccc(N2CCN(CC=CCNC(=O)c3ccc(C)c(-c4ccccc4)c3)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.29120877,False
22339,COc1cccc(N2CCN(CCN3CC4CCCCC3CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.63028044,False
22340,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ncc(O)n3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7994282,False
22341,Cc1cc(CN2CCN(c3ccncc3)C2=O)on1,[*]N1CCN([*])C1=O,0.19476674,False
22342,O=C1COc2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2N1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41310036,False
22343,O=C1N(CCN2CCCCc3sccc32)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.49602005,False
22344,O=C1N(CNCc2cccc(Cl)c2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.2622493,False
22345,C=CCN1CCCC1CNC(=O)c1c(OC)ccc(SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.64244014,False
22346,CCCN(CO)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6122061,False
22347,CCCN(O)C1COc2c(cccc2CC(C)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62259626,False
22348,CCCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.61203426,False
22349,CCCc1cccc2c1OCC(N(CCC)C(C)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.63386935,False
22350,CCOCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.2840156,False
22351,CN1CC2CCC(C2)CC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.68324,False
22352,CN1CCC(CN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5609006,False
22353,COc1ccc(N2CCN(CC=CCNC(=O)c3ccc(OCCF)cc3)CC2)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41214055,False
22354,COc1cccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.9375235,True
22355,Cc1cccc(N2CCN(CC(=O)N3c4ccccc4CC3(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.22651269,False
22356,O=C(NCC=CCN1CCN(c2cc(O)cc3c2C=CC=CC=C3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44826373,False
22357,O=C(NCC=CCN1CCN(c2ccc(-c3cccnc3)cc2)CC1)c1ccc(Cl)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5904505,False
22358,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccc(-c2cc[nH]c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49347305,False
22359,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1sc2ccccc2c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.779721,False
22360,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1sc2ccccc2c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82123387,False
22361,O=C1N(CC2CCNCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.53563374,False
22362,O=C1N(CC2Cc3ccccc3C2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.55675495,False
22363,O=C1N(CCc2cccc(Cl)c2)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.4873628,False
22364,CC(C)N1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1c1ccccc1,[*]N1CCN([*])C1=O,0.80197346,False
22365,CC1CCN(C)C(N2CCN(c3ccccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.3486676,False
22366,CC1NCCCC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6460374,False
22367,CC1c2ccc(N3CCN(c4cc(Cl)cc(Cl)c4)C3=O)cc2CN(Cc2ccccc2)C1C,[*]N1CCN([*])C1=O,0.44264957,False
22368,CCCN(Cc1ccc(C#N)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7107538,False
22369,CCCN(c1ccc(O)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.55331856,False
22370,COc1ccc(CN(C)CC(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75238955,False
22371,COc1ccc2[nH]c(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4634354,False
22372,COc1ccc2[nH]cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52439725,False
22373,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Br)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42259002,False
22374,Cc1ccc(N2CCN(CCN3CCC4(C)Cc5ccccc5OC(C3)C4(C)C)C2=O)cc1,[*]N1CCN([*])C1=O,0.6104771,False
22375,N#Cc1cc(N2CCN(CCN3C4CCCC3Cc3ccccc3C4)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.61173457,False
22376,Nc1cccc(C(=O)NCCC(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71565884,False
22377,O=C(NCC=CCN1CCN(C2CCc3ccccc32)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45395103,False
22378,O=C(NCC=CCN1CCN(c2c[nH]c(-c3ccccc3)c2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5624707,False
22379,O=C(NCC=CCN1CCN(c2ccc(-c3cnccn3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48523796,False
22380,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90741974,True
22381,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(Oc2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9472456,False
22382,O=C1N(Cc2ccccc2)CCN1c1ccc2c(c1)Cc1ccccc1S2,[*]N1CCN([*])C1=O,0.4464831,False
22383,C=CCc1ccc(C)c(C(=O)NCC2CCCN2Br)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16116774,False
22384,CC1CCCN(CCN2CCN(c3cccc(C(C)C)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.80836123,False
22385,CC1CCNc2c1cccc2N1CCN(CC2COCC(=O)C2)C1=O,[*]N1CCN([*])C1=O,0.3129775,False
22386,CCc1ccc(CC)c(C(=O)NCC2CCCN2OC)c1OSC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1985839,False
22387,CCc1ccc(O)c(OCl)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7781349,False
22388,CN1CCN(CCN2CCC(c3ccccc3C#N)CC2)C1=O,[*]N1CCN([*])C1=O,0.7107095,False
22389,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2N)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.42577118,False
22390,COc1cc([N+](=O)[O-])ccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55731624,False
22391,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(OCCF)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4125561,False
22392,COc1ccccc1CC1C2CNCCC1(CN1CCN(c3cccc(Cl)c3F)C1=O)C2,[*]N1CCN([*])C1=O,0.25674665,False
22393,N[N+](=O)c1ccccc1C(=O)NCC=CCN1CCN(N2CCc3ccccc3C2=O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37648022,False
22394,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccc(-c2ccc(F)cc2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5786259,False
22395,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(Cl)ccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9346698,False
22396,O=C1N(C2CCNCC2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.339552,False
22397,O=C1N(CCN2CC3CCC2CCc2ccccc2C3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.48892614,False
22398,O=C1N(OCC2CCNCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.572457,False
22399,O=C1N(c2cccc(Cl)c2)CCN1C1CCN(Cc2ccc(Cl)cc2)CC1,[*]N1CCN([*])C1=O,0.73324883,False
22400,CCc1cccc2c1OCC(N(Cc1ccc(C(F)(F)F)cc1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4426958,False
22401,CN(C)c1ccc(N2CCN(CC=CCNC(=O)c3c(O)cccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39318743,False
22402,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(C)cn2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.31573728,False
22403,COc1ccc(N2CCN(CC=CCNC(=O)c3c(O)cccc3Cl)CC2)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4303029,False
22404,COc1cccc2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43189496,False
22405,COc1ccccc1C(=O)NCC=CCN1CCN(c2cnccc2-c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.490136,False
22406,COc1ccccc1N1CCN(CCNCc2cc3ccccc3s2)C1=O,[*]N1CCN([*])C1=O,0.34401986,False
22407,Cc1cccc(C(=O)NCC=CCN2CCN(c3ccc(F)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38256267,False
22408,Cc1cccc(N2CCN(CN(C)CC34CCCC(CC3)C4C)C2=O)c1,[*]N1CCN([*])C1=O,0.42845812,False
22409,N#Cc1ccc2c(N3CCN(CCN4Cc5ccccc5C4)C3=O)cccc2c1,[*]N1CCN([*])C1=O,0.7774198,False
22410,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccns2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9007858,False
22411,O=C(NCC=CCN1CCN(c2cccc3cccc(OCCF)c23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.620455,False
22412,O=C1N(CCN2CCC3CCc4ccccc4CC2CC3)CCN1c1cccc(O)c1,[*]N1CCN([*])C1=O,0.5648722,False
22413,O=C1N(COCC2CCCCN2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.4002799,False
22414,O=C1N(Cc2cc3ccccc3s2)CCN1C1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.38280103,False
22415,O=C1N(c2cccc(Cl)c2)CCN1c1cccc(COC2CCCNC2)c1,[*]N1CCN([*])C1=O,0.5128338,False
22416,CC(C)Oc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94968164,False
22417,CC(c1ccccc1)N1CCN(CCN2CCCCCC2)C1=O,[*]N1CCN([*])C1=O,0.67894983,False
22418,CCCCN(O)C1COc2c(CC3CC3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4693289,False
22419,CCCc1cccc2c1OCC(N(CCCN1C(=O)CC3(CCCC3)CC1=O)COC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.55357116,False
22420,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC12CCCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.8833137,False
22421,CN(Cc1cc2ccccc2s1)CN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.3441115,False
22422,COc1ccc(CCF)cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56307757,False
22423,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(-c4ccncc4)cc3)CC2)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41180602,False
22424,COc1cccc(CN2CCN(CN3CCN(c4cccc(Cl)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.5447833,False
22425,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccsc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9757682,False
22426,Cc1ccc(N2CCN(CC3CCCOC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.21085386,False
22427,Cc1cccc(N2CCN(CN3CCCc4sccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.5152743,False
22428,O=C(NCC=CCN1CCN(c2ccc3ccc(OCCF)cc3c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51594836,False
22429,O=C(NCC=CCN1CCN(c2cccc(-c3ccccc3)c2)CC1)c1sccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46355253,False
22430,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccnc1-c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8315791,False
22431,O=C(NCC=CCN1CCN(c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3820958,False
22432,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccc(Br)cc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8397372,False
22433,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1-c1ccsc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8722803,False
22434,O=C1N(CC2CCCN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.57526445,False
22435,CC(C)NCc1cccc(N2CCN(c3cccc(Cl)c3Cl)C2=O)c1,[*]N1CCN([*])C1=O,0.23896895,False
22436,CC(C)Oc1cccc(N2CCN(C(=O)NCc3cccc(F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.11585398,False
22437,CC(CN1CCN(CCN2CCN(c3cccc(C(F)(F)F)c3)C2=O)CC1)c1ccccc1,[*]N1CCN([*])C1=O,0.7565223,False
22438,CCOc1c(Cl)ccc(CS)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21372443,False
22439,CCc1ccc(NC)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8459243,False
22440,COOc1c(SC)ccc(C)c1C(=O)NCC1CCCN1C(C)C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14554001,False
22441,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-n3ccnc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43095127,False
22442,COc1ccccc1N1CCN(CCN(C)Cc2cc3ccccc3s2)C1=O,[*]N1CCN([*])C1=O,0.51563656,False
22443,Cc1ccc(-c2ccccc2)cc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5969486,False
22444,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccnc3)CC2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5908394,False
22445,O=C(NCC=CCN1CCN(C(=O)OCc2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.23081748,False
22446,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48857474,False
22447,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(OCc2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9487238,False
22448,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43740997,False
22449,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc2cccnc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79344463,False
22450,O=C1N(CC2(F)Cc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5242822,False
22451,O=C1N(CC2CCCNC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.42622688,False
22452,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.8130249,False
22453,O=C1N(CCN2CCCC2C(F)(F)F)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.53445476,False
22454,O=C1N(c2ccccc2)CCN1c1ccc2c(c1)Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.3128701,False
22455,O=Cc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75707823,False
22456,CC(C)(C)c1ccccc1N1CCN(CC=CCNC(=O)c2ccc(F)c(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68629825,False
22457,CC(C)OC(C)NC1CCC(N2CCN(c3cccc(C(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.17747855,False
22458,CC(C)c1cccc(CNCN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.23627473,False
22459,CC1CCCC(CCN2CCN(c3ccc(F)cc3)C2=O)N1,[*]N1CCN([*])C1=O,0.50999993,False
22460,CCCCN(C(=O)NC)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3217782,False
22461,CCCN(O)C1COc2c(CCc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6348026,False
22462,CCOc1c(OC)ccc(SCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21945551,False
22463,CCc1ccc(C)c(C(=O)NCC2CCCN2Cl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20652463,False
22464,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c(OC(C)(C)C)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73350096,False
22465,COc1cccc2c1CCCC(=O)N2C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7411056,False
22466,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3c2C=CC=CC=C3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7178672,False
22467,COc1ccnc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4052906,False
22468,O=C(NCC=CCN1CCN(c2cc(-c3ccc(F)cc3)cs2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3883096,False
22469,O=C(NCC=CCN1CCN(c2cccc(CF)c2Cl)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9094634,False
22470,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(F)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93312,False
22471,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(OCc2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9465219,False
22472,O=C1N(CCN2CC3CCCCC2Cc2ccccc2C3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.55048484,False
22473,O=C1N(COCc2ccccc2)CCN1c1ccc2c(c1)CCCCC2,[*]N1CCN([*])C1=O,0.43023333,False
22474,CCCc1cccc2c1OCC(N(CCC)C(=O)c1ccc(F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3363046,False
22475,CCN1CCCC1CNC(=O)c1c(C)ccc(Cl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8348418,False
22476,CCNCc1ccc(OC)c(OBr)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2320201,False
22477,COc1c(C(=O)NCCN2CCN(c3ccccc3SC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.88484883,False
22478,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96426773,False
22479,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OCCF)c(O)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4161112,False
22480,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Oc3ccc(C)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.24979335,False
22481,Cc1c(F)cccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7078543,False
22482,Cc1cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)ccc1-c1cccc(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35060984,False
22483,O=C(CN1CCN(c2ccccc2)C1=O)NCc1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.072091356,False
22484,O=C(CN1CCN(c2ccccn2)C1=O)NCc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.08223554,False
22485,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4641046,False
22486,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2Cl)CC1)c1ccc2cc[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48012552,False
22487,O=C(NCC=CCN1CCN(c2ccc(Oc3ccc(F)cc3)nc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43247756,False
22488,O=C(NCC=CCN1CCN(c2ccc[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41111577,False
22489,O=C(NCC=CCN1CCN(c2sc3ccccc3c2O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44451717,False
22490,O=C1N(CCC2(O)CCCCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.4079595,False
22491,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc2c1CCCC2,[*]N1CCN([*])C1=O,0.78311324,False
22492,O=C1N(c2ccccc2)CCN1C1CC2CCC1Cc1ccccc1NC2,[*]N1CCN([*])C1=O,0.37422717,False
22493,CC1(C)C2CCC1(CNCCN1CCN(Cc3cccc(C(F)(F)F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.4275369,False
22494,CC1CC(C)(C)CCN1CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.43559515,False
22495,CCCN(C(C)C)C1COc2c(cccc2-c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6723445,False
22496,CCCN(CCC)C1COc2c(cccc2-c2ccc(C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.67187613,False
22497,CCCN(c1ccoc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.637263,False
22498,CCc1cccc2c1OCC(N(CCC(C)C)c1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.46516156,False
22499,CCc1cccc2c1OCC(N(CF)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.320899,False
22500,CN1c2ccccc2CC1N1CCN(Cc2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.41938657,False
22501,Cc1cccc(C#CCN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.32050195,False
22502,N#Cc1ccc(F)cc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8175339,False
22503,N#Cc1cccc(N2CCN(CC3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.4712372,False
22504,O=C(NCC=CCN1CCN(c2ccc(-c3cccs3)cc2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50122017,False
22505,O=C(NCC=CCN1CCN(c2ccc[nH]2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4325502,False
22506,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(O)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7938239,False
22507,O=C(NCC=CCN1CCN(c2ccccc3cccc2-3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8254184,False
22508,O=C1N(CCN2CCCC3CCC2Cc2ccccc2C3)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.6003937,False
22509,O=C1N(CCN2CCCc3sccc3C2)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.5016161,False
22510,O=C1N(CCN2Cc3ccccc3C2)CCN1C(Cl)c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.7880727,False
22511,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(Oc2ccccc2)c1,[*]N1CCN([*])C1=O,0.8551284,False
22512,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CCc2sccc2C1,[*]N1CCN([*])C1=O,0.37862644,False
22513,O=C1N(c2cccc(Cl)c2)CCN1C1CCc2ccsc2CC1,[*]N1CCN([*])C1=O,0.4990042,False
22514,CCCCN(CC)C1COc2c(cccc2OS(=O)(=O)C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5281133,False
22515,CCCCN(O)C1COc2c(CC(N)=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3736324,False
22516,CCCCN(c1cc(C(F)(F)F)co1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5033132,False
22517,CCCCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1989894,False
22518,CCCN(CCC)C1COc2c(cccc2C(=O)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.65539765,False
22519,CCCN(Cc1ccc(C)s1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53797746,False
22520,CCCN1CCCC1CNC(=O)c1c(OC)ccc(C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.48080808,False
22521,CCCOc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41026345,False
22522,CCc1ccc(C)c(C(=O)NCC2CCCN2SC)c1OF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1870817,False
22523,CCc1ccc(C)c(OCl)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1639548,False
22524,CN(CCc1ccccc1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.58951795,False
22525,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(Br)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39963144,False
22526,COc1cccc(CCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.48682776,False
22527,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(F)ccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5479533,False
22528,COc1ccccc1C(=O)NCC=CCN1CCN(c2cnc3[nH]ccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.391056,False
22529,Cc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94354206,False
22530,Cc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7339091,False
22531,O=C(NCCN1CCN([N+](=O)[O-])CC1)c1cc(Br)c2ccccc2c1-c1cccc(Cl)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34771177,False
22532,O=C1N(Cc2cccc(Cl)c2)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.38677648,False
22533,CCCCN(C1COc2c(CC)cccc2C1)n1cc(C(F)(F)F)ccc1=O,[*]CN([*])C1COc2c([*])cccc2C1,0.41492563,False
22534,CCCCN(CC)C1COc2c(cccc2-c2ccccc2C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40223783,False
22535,CCCCc1ccc(C)c(OCC)c1C(=O)NCC1CCCN1S(C)=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15664363,False
22536,CCCc1cccc2c1OCC(N(CCC)c1cccc(C)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.51239014,False
22537,CCc1ccc(O)c(OOC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.84893113,False
22538,CCc1ccc(OC)c(OCCSC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.28586555,False
22539,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC1CCC2Cc3ccccc3CC21,[*]N1CCN([*])C1=O,0.6655323,False
22540,CN(Cc1ccccc1)C(=O)N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.15574683,False
22541,COc1ccc(-c2cccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93667895,False
22542,COc1ccccc1N1CCN(CC=CCNC(=O)c2ncccc2-c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8468582,False
22543,Cc1ccccc1CN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.35425913,False
22544,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.803585,False
22545,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(-c2ccc(O)[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66905034,False
22546,O=C1N(CC2CC3CCC(C2)N3Cc2ccccc2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.5316961,False
22547,O=C1N(CC2NC3CCCC2CCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.63613534,False
22548,O=C1N(CCN2CC3CCCC2CC3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5802428,False
22549,O=C1N(Cc2ccccc2)CCN1CC1COCCN1,[*]N1CCN([*])C1=O,0.32694972,False
22550,O=C1N(c2ccc3sccc3c2)CCN1C1CCc2ccccc2O1,[*]N1CCN([*])C1=O,0.2704671,False
22551,CC1(C)CC2CCC1C(N1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.41192913,False
22552,CC1CCN1c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.74344414,False
22553,CC=CN(CC(=O)c1ccoc1)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3091633,False
22554,CCC1Cc2ccccc2N1C(=O)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.41588882,False
22555,CCCCN(c1ccsc1)C1COc2c(cccc2C2CC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5522303,False
22556,CCCN(C(=O)c1ccoc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.27941796,False
22557,CCCN(CC)CN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.3026823,False
22558,CCCN(Cc1ccccn1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5725147,False
22559,CCCc1cccc2c1OCC(N(CC)Cc1ccc(C(N)=O)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.31825086,False
22560,CCN(CC(C)C)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5680089,False
22561,CN(CN1CCN(c2cccc(Cl)c2)C1=O)CC12CCC(CC(C)(C)C1)C2,[*]N1CCN([*])C1=O,0.6166503,False
22562,COc1ccc(-c2coc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86646944,False
22563,COc1ccc(N2CCN(CCN3CCC4CCC(CC4)C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.7441074,False
22564,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3cccc(O)c3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41665515,False
22565,Cc1cnc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85087657,False
22566,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(CCF)c(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92399216,False
22567,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(Br)c(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8748868,False
22568,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(F)ccc1F,[*]N1CCN([*])C1=O,0.8331005,False
22569,O=C1N(CCOCC2CC3CCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7182893,False
22570,O=C1N(c2cccc(Cl)c2Cl)CCN1C1NCC2CCC1Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.38419145,False
22571,CCCN1CCCC1CNC(=O)c1c(Br)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.50531477,False
22572,CCCc1cccc2c1OCC(N(CC)COc1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6047341,False
22573,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OC)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35546654,False
22574,CN(C)N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28606838,False
22575,COc1c(C(=O)NCCN2CCN(c3cccs3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8264115,False
22576,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7367975,False
22577,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.871714,False
22578,COc1cccc(N2CCN(CC=CCNC(=O)c3cccc([N+](=O)[O-])c3)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.25615495,False
22579,COc1cccc2[nH]c(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4151101,False
22580,Cc1ccccc1N1CCN(C2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.30131483,False
22581,Nc1cccc(C(=O)NN2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.25344005,False
22582,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(OCCF)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.935096,False
22583,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2c[nH]cn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8391549,False
22584,O=C1N(CC2c3ccccc3CN2CCO)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.64325583,False
22585,O=C1N(CCNCC23CCCCC2CCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5538406,False
22586,O=C1N(COCc2ccccc2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.36414328,False
22587,O=C1N(Cc2ccccc2Cl)CCN1C1CCC(c2ccccn2)CC1,[*]N1CCN([*])C1=O,0.35789043,False
22588,C=CCOc1c(OC)ccc(Br)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24401718,False
22589,CC(=O)CN(C(C)=O)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.26945364,False
22590,CC(=O)NCN(CO)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.28897184,False
22591,CC(C)c1cccc(N2CCN(CC3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.53986156,False
22592,CCCCN(O)C1COc2c(cccc2-c2cc(C)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3809181,False
22593,CCOc1c([N+](=O)[O-])ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1911875,False
22594,CCc1ccc(C)c(C(=O)NCC2CCCN2C=O)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14981157,False
22595,CCc1ccc(C)c(OBr)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.12289512,False
22596,CN1CCCCC1CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.524557,False
22597,COc1ccc(C=CC(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68860626,False
22598,COc1cccc(N2CCN(c3ccccc3OCC3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.300379,False
22599,Cc1ccc2c(c1)CN(CCN1CCN(Cc3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.6110793,False
22600,N#Cc1ccccc1N1CCN(CC(F)(F)CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5434858,False
22601,O=C(NCC=CCN1CCN(S(=O)(=O)O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.22116187,False
22602,O=C1CC(CN2CCN(c3ccccc3)C2=O)Cc2ccccc21,[*]N1CCN([*])C1=O,0.5092115,False
22603,O=C1N(CC2CCCCCN2Cc2cccc(F)c2)CCN1c1cccc(O)c1,[*]N1CCN([*])C1=O,0.29054418,False
22604,O=C1N(CC2NCc3ccccc3[S+]([O-])c3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.49421212,False
22605,O=C1N(CCN2CCc3ccsc3CC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.6458107,False
22606,O=C1N(Cc2cc3ccccc3s2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.38709882,False
22607,CC1CCCN2CCCCC12CN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.4039779,False
22608,CC1CCN(C)c2cc(N3CCN(CCN4Cc5ccccc5C4)C3=O)ccc2Cc2ccccc21,[*]N1CCN([*])C1=O,0.7501046,False
22609,CCCCN(CC)C1COc2c(cccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6053805,False
22610,CN(C)CC1CCc2c(cccc2N2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.5558908,False
22611,COc1c(C(=O)NCCN2CCN(c3cccc(F)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8496112,False
22612,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(OC)c(OC)c(OC)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9235283,False
22613,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3ccc(F)cc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96268636,False
22614,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3[nH]c(O)cc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9758841,False
22615,Cc1cccc(-c2cccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36548808,False
22616,Cc1cccc2sc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3487985,False
22617,N#Cc1cccc(N2CCN(CCC(F)(F)F)C2=O)c1,[*]N1CCN([*])C1=O,0.59944963,False
22618,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(CCF)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8564705,False
22619,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1-c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92341137,False
22620,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1[nH]c2ccccc2c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8109349,False
22621,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.69648063,False
22622,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.93758744,True
22623,O=C1N(Cc2cccc(Cl)c2)CCN1c1cccc(OCC2CCCCN2)c1,[*]N1CCN([*])C1=O,0.40774876,False
22624,O=C1N(c2ccc(F)cc2)CCN1c1cccc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.23211052,False
22625,C#CCN(CCC)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.68664217,False
22626,CCC1c2ccccc2CN1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5697228,False
22627,CCCCCN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.39301953,False
22628,CCCCN(CC)C1COc2c(cccc2-c2ccccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4425142,False
22629,CCCc1ccc(Cl)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21710314,False
22630,CCc1ccc(N2CCN(c3ccccc3)C2=O)cc1,[*]N1CCN([*])C1=O,0.26864204,False
22631,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2c([N+](=O)[O-])ccccc2=O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34383276,False
22632,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)n4)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45623505,False
22633,COc1ccc(C(C)=O)c(C(=O)NCC2CCCN2C)c1OSC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22159053,False
22634,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3c(c2)OCCC3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32516918,False
22635,Nc1cccc(F)c1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45318836,False
22636,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(O)cc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9229225,False
22637,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccc(OCCF)cc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9409184,False
22638,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cnccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9479366,False
22639,O=C(NCC=CCN1CCN(c2cccc3cccnc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75908965,False
22640,O=C1N(CCN2CCCCc3ccccc32)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.47482812,False
22641,O=C1N(CCN2c3ccccc3CC3CCCCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6708571,False
22642,O=C1N(Cc2ccc3c(c2)OCC3)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.3924709,False
22643,O=C1N(Cc2cccc(Cl)c2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.29416698,False
22644,C=CCOc1c(Br)ccc(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25922468,False
22645,CC1(C)CCCC(N2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.4193273,False
22646,CCCc1cccc2c1OCC(N(CC)Cc1ccc(S(C)(=O)=O)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.33985496,False
22647,COCC#Cc1ccccc1N1CCN(c2cc3ccccc3s2)C1=O,[*]N1CCN([*])C1=O,0.31629848,False
22648,COc1ccc2sc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88358593,False
22649,COc1cccc2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)n12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8583877,False
22650,COc1ccccc1C(=O)NCC=CCN1CCN(c2c[nH]c3cc(OCCF)cnc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44495654,False
22651,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(C=Cc2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.820139,False
22652,O=C(NCC=CCN1CCN(c2cccc(F)c2F)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74587804,False
22653,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5235766,False
22654,O=C1N(CC(NCc2ccccc2)c2ccccc2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.21310368,False
22655,O=C1N(CCN2CCCCCC2)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.8789001,False
22656,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.8810086,False
22657,O=C1N(Cc2ccc(Cl)cc2)CCN1C1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.5493116,False
22658,O=C1N(Cc2cccc(Cl)c2)CCN1CC1COCCN1,[*]N1CCN([*])C1=O,0.27463815,False
22659,O=C1N(Cc2cccc(F)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4609677,False
22660,O=C1N(c2ccc(F)c(Cl)c2)CCN1c1ccc2c(c1)Cc1ccccc1S2,[*]N1CCN([*])C1=O,0.31871393,False
22661,O=C1N(c2ccc3sccc3c2)CCN1c1cccc2c1CCC(C(F)(F)F)C2,[*]N1CCN([*])C1=O,0.35905832,False
22662,CC1CCCCCN1CCN1CCN(c2ccsc2)C1=O,[*]N1CCN([*])C1=O,0.5021638,False
22663,CCCCN(C1COc2c(CC)cccc2C1)C(F)(F)c1ccc(F)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.46013862,False
22664,CCCN(CC(=O)c1cc(C)co1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.31085336,False
22665,CCCc1cccc2c1OCC(N(CCC)c1ccc(C(C)(C)C)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6680525,False
22666,CN(C)Cc1cc(N2CCN(c3cccc(Cl)c3)C2=O)cc2ccccc12,[*]N1CCN([*])C1=O,0.39417735,False
22667,COCC1CCCN1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5880866,False
22668,COc1cccc(N2CCN(CC3CCCN(C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.5386384,False
22669,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2C#Cc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73798436,False
22670,Cc1[nH]c(O)cc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3742141,False
22671,Nc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3F)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5608639,False
22672,O=C(NCC=CCN1CCN(c2cccc(-c3cccc(O)n3)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5141266,False
22673,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccc(F)cc2)ccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88397783,False
22674,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2ccccc2)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9504611,False
22675,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8677107,False
22676,O=C1N(CC2CC3(CCCCC3)CO2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.50139505,False
22677,O=C1N(CC2CCCCCN2Cc2ccc(Cl)cc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4833324,False
22678,O=C1N(CCN2C3CCCCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.82071507,False
22679,O=C1N(CCN2CCN(CC(F)(F)F)CC2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.7029369,False
22680,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(CF)c(F)c1,[*]N1CCN([*])C1=O,0.9080884,False
22681,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(-n2cccc2)c1,[*]N1CCN([*])C1=O,0.7719007,False
22682,O=C1N(CCNCc2ccccc2Cl)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.31356585,False
22683,O=C1N(c2cccc(Cl)c2)CCN1C1CCNOC1,[*]N1CCN([*])C1=O,0.47209868,False
22684,CC(CN1CCc2ccccc2C1)OCN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.54263026,False
22685,CC(c1cccc(Cl)c1)N1CCN(CCN2Cc3ccsc3C2)C1=O,[*]N1CCN([*])C1=O,0.6382956,False
22686,CC1CCC2CCC(C1)N2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7875996,False
22687,CCCCN(CCC)C1COc2c(cccc2-c2ccc3ccccc3c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6581128,False
22688,CCCc1cccc2c1OCC(N(O)CCC[O-])C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5173246,False
22689,CN(C)CN1CCN(CC2COCCN2)C1=O,[*]N1CCN([*])C1=O,0.2574362,False
22690,CNc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.6297142,False
22691,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc3cc[nH]c23)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4134888,False
22692,COc1ccc(-c2ccnc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8534298,False
22693,Cc1cc(N2CCN(CCN3CCN(C(C)C)CC3)C2=O)ccn1,[*]N1CCN([*])C1=O,0.7453403,False
22694,Cc1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3C)CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.76778144,False
22695,Cc1cccc(N2CCN(CNCC34CCCCC(CC3C)C4)C2=O)c1,[*]N1CCN([*])C1=O,0.44834068,False
22696,Cc1ccccc1-c1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84091216,False
22697,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(F)cn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96200633,False
22698,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1cccc(F)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5424584,False
22699,O=C1N(Cc2ccc3c(c2)CNCC3)CCN1c1cscc1-c1ccccc1,[*]N1CCN([*])C1=O,0.36219746,False
22700,O=C1N(c2cccc(Cl)c2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.46893796,False
22701,CC(C)OC1CCCCC1N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.19775039,False
22702,CCCOCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.27596873,False
22703,CCOCN1CCN(c2cccc(C)c2)C1=O,[*]N1CCN([*])C1=O,0.33874476,False
22704,CCOc1c(COC)ccc(SC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24925965,False
22705,CCc1ccc(C)c(OBr)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15252614,False
22706,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C(=O)c2ccccc2[N+](=O)[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.36017993,False
22707,COc1cc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)ccc1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34267765,False
22708,COc1ccc(-c2c(C(=O)NCCN3CCN(CO)CC3)cc(Br)c3ccccc23)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3847466,False
22709,COc1cccc(N2CCN(CCCN3CCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8900081,False
22710,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)oc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72137004,False
22711,COc1cccc2sc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39940852,False
22712,Cc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43833628,False
22713,O=C(CN1CCN(Cc2cccc(Cl)c2)C1=O)N1CCCCCC1,[*]N1CCN([*])C1=O,0.045703884,False
22714,O=C(NCC=CCN1CCN(c2c[nH]c(-c3ccc(O)cc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39352393,False
22715,O=C(NCC=CCN1CCN(c2cc(Cl)ccc2OCCF)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5618176,False
22716,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccnc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9228191,False
22717,O=C(NCN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34017923,False
22718,O=C1N(CCNC2CCCCC2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.36834577,False
22719,O=C1N(Cc2cccc(Cl)c2)CCN1C1NCCCC1Cc1ccccc1,[*]N1CCN([*])C1=O,0.346494,False
22720,CC(C)c1cccc(N2CCN(CCN3CCCCC3C)C2=O)c1,[*]N1CCN([*])C1=O,0.5722713,False
22721,CCCCN(CC)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.44223544,False
22722,CCCN(CCC)C1COc2c(cccc2-c2cc(C(F)(F)F)ccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.67430735,False
22723,CCN(CC(C)C)C1COc2c(cccc2Oc2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6040095,False
22724,CCOc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8317661,False
22725,CCc1ccc(N2CCN(c3cccc(Cl)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.38780868,False
22726,COCc1cccc(N2CCN(CCN3CCOCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.45434693,False
22727,COc1cc(C(=O)NCC=CCN2CCN(c3cccc(OCCF)c3)CC2)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35356095,False
22728,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)o2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81463426,False
22729,COc1ccc2cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3806144,False
22730,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(CCO)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42681316,False
22731,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2-c2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42346895,False
22732,Cc1cc(N2CCN(c3ccc4sccc4c3)C2=O)ccn1,[*]N1CCN([*])C1=O,0.1820242,False
22733,Cc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32952082,False
22734,O=C(NCC=CCN1CCN(c2cccc(OCCF)n2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45051855,False
22735,O=C1N(CC2CCNCC2)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.39377457,False
22736,O=C1N(CC2CCc3ccccc3C2)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.35679296,False
22737,O=C1N(CCN2CCCC(C(F)(F)F)C2)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.57087857,False
22738,O=C1N(Cc2ccc(Cl)cc2)CCN1c1ccc2c(c1)Cc1ccccc1-2,[*]N1CCN([*])C1=O,0.48973387,False
22739,O=C1N(c2cccc(C3CCCCN3)c2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.25965402,False
22740,O=C1N(c2cccc(F)c2)CCN1C1CCCC(C(F)(F)F)C1,[*]N1CCN([*])C1=O,0.30388528,False
22741,C=CCOc1c(OC)ccc(C)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18214276,False
22742,CC(C)(C)c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44254625,False
22743,CC(C)c1cccc(N2CCN(c3ccc4c(c3)N(C(C)C)CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.27770525,False
22744,CC(CN1Cc2ccccc2C1)CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.6391459,False
22745,CC1(C)C2CCCC1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.8516764,False
22746,CC1CCC(CN2CCN(c3cccc(Cl)c3)C2=O)CN1,[*]N1CCN([*])C1=O,0.6471963,False
22747,CC1CCC(N2CCN(c3cc(Cl)ccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.29213375,False
22748,CCC(C)CN(CC)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.548402,False
22749,CCCN(CCC)C1COc2c(cccc2-c2cc(C(=O)O)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62274414,False
22750,CCCc1cccc2c1OCC(N(CCC)CC(=O)O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5011223,False
22751,CCc1ccc(Br)c(OSO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2481786,False
22752,CN(C)c1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7390737,False
22753,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(CF)cc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56245875,False
22754,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cccoc1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7792061,False
22755,Cc1ccc2c(c1)N(C(=O)CN1CCN(Cc3ccc(Cl)cc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.23985247,False
22756,O=C(NCC=CCN1CCN(c2ccc3cc[nH]c3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38992813,False
22757,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccccc2Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.845246,False
22758,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccncc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85594654,False
22759,O=C1N(Cc2cccc(Cl)c2)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.38236168,False
22760,CCCN(CCC)C1COc2c(cccc2NC(=O)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3275592,False
22761,CCCN(Cc1ccc(OC)cc1)C1COc2c(cccc2SC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.60732615,False
22762,CCOc1c(SC)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2631161,False
22763,CCc1cccc2c1OCC(N(CC)c1ccc(OC)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4529862,False
22764,CCc1cccc2c1OCC(N(Cc1ccccc1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.47963485,False
22765,CN(Cc1ccc2ccccc2c1)CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.34473807,False
22766,CN1CC2(CCCCC2N2CCN(c3cccc(Cl)c3)C2=O)Cc2ccccc21,[*]N1CCN([*])C1=O,0.42109364,False
22767,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2N2CCOCC2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.27976483,False
22768,COc1ccc(C)cc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7660994,False
22769,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3SC)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35308,False
22770,COc1ccccc1Cc1ccccc1C(=O)NCC=CCN1CCN(c2ccncc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43837297,False
22771,O=C(NCC=CCN1CCN(OCCF)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34830567,False
22772,O=C(NCC=CCN1CCN(c2cc3cc(OCCF)ccc3[nH]2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39245042,False
22773,O=C(NCC=CCN1CCN(c2cccc(-c3ccc(F)cc3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47420448,False
22774,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.7737895,False
22775,O=C1N(CCN2CCCC(OCc3ccccc3)C2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.65635645,False
22776,O=C1N(CCN2CCc3ccccc32)CCN1C1CCCCOC1,[*]N1CCN([*])C1=O,0.34031442,False
22777,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccccc1O,[*]N1CCN([*])C1=O,0.7102685,False
22778,CC12CCCCC(CC1)CN(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.77107084,False
22779,CCCN(Cc1cccc2ccccc12)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.59879047,False
22780,CCCc1cccc2c1OCC(N(CCC)Cc1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.7184173,False
22781,CCCc1cccc2c1OCC(N(CCC)Cn1cc(C(F)(F)F)cc1C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.45671234,False
22782,CCCc1cccc2c1OCC(N(CO)C1CCC(=O)C=C1C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.30701178,False
22783,CCN(Cc1cc2ccccc2s1)CN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.30505624,False
22784,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)nc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89835304,False
22785,COc1cccc(C2CCCN(CN3CCN(c4cccc(Cl)c4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.6650033,False
22786,COc1ccccc1C(=O)NCC=CCN1CCN(c2[nH]ccc2-c2ccc(Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4421015,False
22787,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(O)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41592488,False
22788,Cc1cccc(N2CCN(CCN3CCCC(C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8875591,False
22789,O=C(NCC=CCN1CCN(c2cc(O)ccn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45748317,False
22790,O=C(NCC=CCN1CCN(c2ccc(NC(F)(F)F)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37129954,False
22791,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2[nH]c(O)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9477375,False
22792,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1cc(Cl)ccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5308732,False
22793,O=C1N(CC2CCCOC2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.27221796,False
22794,O=C1N(CC2CCN3CCCNCC23)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.60022146,False
22795,O=C1N(CCNCC2CCCc3ccccc32)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.38868248,False
22796,O=C1N(Cc2cccc(O)c2)CCN1C1CCN(Cc2cccc(Cl)c2)CC1,[*]N1CCN([*])C1=O,0.64375883,False
22797,C=CCN1CCCC1CNC(=O)c1c(C)ccc(SC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.43133286,False
22798,CCCN(CCC)C1COc2c(CCc3ccoc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8069731,False
22799,CCCN(CCC)C1COc2c(cccc2C(C)(C)O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62418234,False
22800,CCCc1cccc2c1OCC(N(CO)c1cocn1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.44892323,False
22801,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2C(=O)O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.44848812,False
22802,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3ccncc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9748347,False
22803,COc1ccccc1N1CCN(CC=CCNC(=O)c2cnc3c(O)cccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85855985,False
22804,Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9091064,False
22805,Cc1csc(CN(C)CCN2CCN(c3cccnc3)C2=O)c1,[*]N1CCN([*])C1=O,0.52594715,False
22806,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47252655,False
22807,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccnc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9367923,True
22808,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66931707,False
22809,O=C(NCC=CCN1CCN(c2cnc3ccccc3n2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4824626,False
22810,O=C1N(CC2CCCN(CCc3cccc(Cl)c3)CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.6693434,False
22811,O=C1N(CC2CCCc3ccsc3C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.51486593,False
22812,O=C1N(CC2CCNCC2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.55520046,False
22813,O=C1N(CN2CCN(CCc3ccccc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.67165464,False
22814,O=C1N(Cc2ccccc2)CCN1c1cccc(O)c1,[*]N1CCN([*])C1=O,0.31421608,False
22815,O=C1N(c2cccc(C(F)(F)F)c2)CCN1C1CCCCCC1,[*]N1CCN([*])C1=O,0.2435928,False
22816,C=CCN(CCC)C1COc2c(cccc2-c2cccc(C(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6588675,False
22817,CC(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.43851414,False
22818,CC1CC(c2cccc(Cl)c2)CCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.757236,False
22819,CC1CCCCN(CCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.6985006,False
22820,CC1CCCN(CCN2CCN(c3cccc(C(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.92929167,False
22821,CCCc1ccc(C)c(C(=O)NCC2CCCN2C)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16365486,False
22822,CCN1CCCC1CNC(=O)c1c(C)ccc(C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8771166,False
22823,CN(Cc1cccs1)CN1CCN(c2cc3ccccc3o2)C1=O,[*]N1CCN([*])C1=O,0.34279373,False
22824,COCC1CCCC(N2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.5272104,False
22825,COCC1CCCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4974853,False
22826,COCC1CCCN1CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.58076566,False
22827,COc1cccc(C(=O)NCC=CCN2CCN(c3cc(Cl)c(OC)c(OC)c3)CC2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38463324,False
22828,Cc1cccc(N2CCN(C3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.23484392,False
22829,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccc(CCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41867676,False
22830,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97633266,False
22831,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2ccc(O)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9370665,False
22832,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(CCF)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9086673,False
22833,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccccc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7389336,False
22834,O=C1N(CC2CCCCC2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.26737666,False
22835,O=C1N(Cc2cccc(Cl)c2)CCN1C1CCNOC1,[*]N1CCN([*])C1=O,0.39639407,False
22836,CC(=O)NCc1cc(F)cc(N2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.113220215,False
22837,CCCCN(OC)C1COc2c(cccc2C2(C(C)=O)CCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3471607,False
22838,CCCCc1ccc(OC)c(C(=O)NCC2CCCN2CC)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.76094025,False
22839,CCCN(C(C)C)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.60105616,False
22840,CCN1CC2CCC(Cc3ccccc31)C(N1CCN(c3cccc(Cl)c3)C1=O)NC2,[*]N1CCN([*])C1=O,0.48198098,False
22841,CN1CCCC(CN2CCN(c3cccc(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.51846236,False
22842,COc1ccc2c(c1)CC=C(C(=O)NCC=CCN1CCN(c3cccc(Cl)c3Cl)CC1)N2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84275836,False
22843,COc1cccc(N2CCN(CCN3CCCOCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.59466046,False
22844,COc1cccc(N2CCN(c3ccc(F)cc3Cl)C2=O)c1,[*]N1CCN([*])C1=O,0.22239019,False
22845,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3ccc(OCCF)cc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9239462,False
22846,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Br)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85874337,False
22847,O=C(NCC=CCN1CCN(c2ccc(O)cc2)CC1)c1cccc(OCCF)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47688907,False
22848,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(Cl)cc2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92147225,False
22849,O=C(NCC=CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccc(F)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6703142,False
22850,O=C1N(CCN2CCCCc3ccsc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7611205,False
22851,O=C1N(Cc2cccc(C#Cc3ccccc3)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.50104016,False
22852,CC(C)N1CCN(CCN2CCN(c3cccc(O)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.82630026,False
22853,CC1(C)CC2CCCC1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.8459269,False
22854,CCCOc1c(Cl)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6654214,False
22855,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2Cc2cccc(Br)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37925455,False
22856,COc1ccc2[nH]c(N3CCN(CC=CCNC(=O)c4cccc(OCCF)n4)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34043366,False
22857,COc1ccc2c(c1)CCC(NCCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.5664386,False
22858,COc1cccc(CNCCN2CCN(c3cccc(OC(C)C)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.2678799,False
22859,Cc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.29906312,False
22860,Cc1cccc(N2CCN(C3CCCC4CCCN43)C2=O)c1,[*]N1CCN([*])C1=O,0.21671121,False
22861,Cc1cccc2c1CN(C)C(N1CCN(c3ccc4sccc4c3)C1=O)C2,[*]N1CCN([*])C1=O,0.3149227,False
22862,Nc1cccc(C(=O)NCC=CCN2CCN(c3ccc(OCCF)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5294975,False
22863,O=C(NCC=CCN1CCN(c2ccc3ccccc3c2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46868104,False
22864,O=C(NCC=CCN1CCN(c2cccc3cccc(OCCF)c23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6035527,False
22865,O=C1CCc2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2N1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8533505,False
22866,O=C1N(CC23CCCCC2CNCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5820347,False
22867,O=C1N(CC2CNCc3ccccc32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.53025424,False
22868,O=C1N(c2ccc(F)cc2)CCN1C1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.40116224,False
22869,CC(c1ccccc1)N1CCC(N2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.28404772,False
22870,CC1CCCCCN1CCN1CCN(c2ccc(Cl)cc2Cl)C1=O,[*]N1CCN([*])C1=O,0.32891583,False
22871,CCOc1ccc(CC)c(C(=O)NCC2CCCN2C)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24042466,False
22872,CCc1cccc2c1OCC(N(CC)Cc1cccc(OC)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.406387,False
22873,CCn1ccc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.37509817,False
22874,CN(Cc1cccc(C#N)c1)CN1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.525189,False
22875,CN1C=CC=CC=C1CCN1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39313123,False
22876,CN1CCCCC1N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.3576185,False
22877,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2[N+](=O)c2ccccc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4495032,False
22878,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cnccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94873714,False
22879,Cc1cccc(N2CCN(C3CCCNC3)C2=O)c1,[*]N1CCN([*])C1=O,0.22441131,False
22880,O=C(NCC=CCN1CCN(c2cc(Cl)ccc2-c2ccccc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5622554,False
22881,O=C(NCC=CCN1CCN(c2cc(OCCF)cc3ccccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.57953006,False
22882,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3OCCF)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47643813,False
22883,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)C(Nc1ccccc1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7805033,False
22884,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.6230303,False
22885,O=C1N(Cc2ccccc2)CCN1CC1CCOOC1,[*]N1CCN([*])C1=O,0.41903627,False
22886,CC(=O)N1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.47426525,False
22887,CC(O)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.40163624,False
22888,CCCCN(C1COc2c(CC)cccc2C1)C(C)(O)c1ccc(F)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.38401398,False
22889,CCCc1cccc2c1OCC(N(CCC)c1ccc(OC(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.58209616,False
22890,CCN1CCCC1CNC(=O)c1c(Cl)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.89685816,False
22891,CCOc1c(F)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2183611,False
22892,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30950215,False
22893,COc1ccc(OC)c(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8871496,False
22894,COc1ccc2cc(O)cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9409723,False
22895,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3ccccc3cc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9234101,False
22896,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92491263,False
22897,O=C1N(CC2CCCNC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6614472,True
22898,O=C1N(CCN2CCC(Cc3ccccc3)CC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.827675,False
22899,O=C1N(CCN2CCc3ccsc3C2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.69086623,False
22900,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc2sccc12,[*]N1CCN([*])C1=O,0.82105196,False
22901,O=C1N(c2ccc(F)cc2)CCN1C1CCCCCC1,[*]N1CCN([*])C1=O,0.24473529,False
22902,O=C1N(c2cccc(Cl)c2)CCN1c1ccc2c(c1)Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.40731767,False
22903,O=C1N(c2ccccc2Cl)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.19628151,False
22904,CC1CCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1=O,[*]N1CCN([*])C1=O,0.7673469,False
22905,CCCCN(CC1CCCC(=O)C1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4545805,False
22906,CCCN(C(C)CC)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7133941,False
22907,CCCN(CCc1ccc(F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.76983505,False
22908,CCCN(Cc1coc(C(F)(F)F)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6041114,False
22909,CCCc1cccc2c1OCC(N(CCC)c1ccc(O[O-])cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.55077475,False
22910,CN1CCCCC1CN1CCN(Cc2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.40876088,False
22911,COC1c2ccccc2CCC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6394466,False
22912,COCC1C2CCCC1CN(CN1CCN(c3cc(Cl)ccc3F)C1=O)C2,[*]N1CCN([*])C1=O,0.40297768,False
22913,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)cc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38722005,False
22914,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.899268,False
22915,COc1cccc(N2CCN(CCN3CCc4ccccc4O3)C2=O)c1,[*]N1CCN([*])C1=O,0.6853278,False
22916,COc1cccc(N2CCN(c3cccc(C#N)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.36037412,False
22917,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(C(C)(C)C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42662603,False
22918,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccnc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9360166,False
22919,Cc1ccccc1-c1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6771261,False
22920,O=C1N(CC2CCNCC2)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.5069569,False
22921,O=C1N(CC2Cc3ccccc3C2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.6405269,False
22922,O=C1N(CCN2CCCCCC2)CCN1Cc1ccccn1,[*]N1CCN([*])C1=O,0.6611417,False
22923,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.7476159,False
22924,O=C1N(CN2CCN(Cc3csc4ccccc34)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5430235,False
22925,CC1CC2(C)CC(N3CCN(c4cccc(Cl)c4)C3=O)CC(C2)N1C,[*]N1CCN([*])C1=O,0.4741047,False
22926,CC1CCCCCN1CN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.28443035,False
22927,CCCN(Cc1occc1C(=O)[O-])C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42762774,False
22928,CCCc1cccc2c1OCC(N(CC)Cc1cccc(OC)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5392166,False
22929,CCCc1cccc2c1OCC(N(CCC)CCc1ccsc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.7896877,False
22930,CCCc1cccc2c1OCC(N(CCC)c1cccc(O)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.56486857,False
22931,CCN1CCN(C2CCCCN2C)C1=O,[*]N1CCN([*])C1=O,0.33897582,False
22932,CCN1CCN(c2cc(Cl)ccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.27530348,False
22933,CN1CCCCC1CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.53443897,False
22934,COc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)ccc1Oc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36253962,False
22935,Cc1cccc(CNC(=O)CN2CCN(c3cccc(Cl)c3Cl)C2=O)n1,[*]N1CCN([*])C1=O,0.06012425,False
22936,O=C(NCC=CCN1CCN(c2cc3cc(O)ccc3[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4008244,False
22937,O=C(NCC=CCN1CCN(c2ccc(-c3ccnc(O)c3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5226597,False
22938,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccncn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.923782,False
22939,O=C(NCC=CCN1CCN(c2ncccc2F)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45555586,False
22940,O=C1N(CCN2CCC3CCC2CC3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.63099164,False
22941,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccn(CC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.6970055,False
22942,O=C1N(Cc2ccccc2)CCN1CC1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.53008,False
22943,[N+]Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.98804975,False
22944,CC1(C)Cc2ccccc2N(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.6241282,False
22945,CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1C[N+](=O)[O-],[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23297063,False
22946,COc1c(C)cccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.92527133,False
22947,COc1cc(N)ccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5892812,False
22948,COc1cccc(N2CCN(CC3CSc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.5503825,False
22949,Cc1cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3030382,False
22950,Cc1cccc(CCN2CCN(c3cccc(Cl)c3)C2=O)n1,[*]N1CCN([*])C1=O,0.4616531,False
22951,Cc1csc2c1N(C)CC(N1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.40732422,False
22952,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1cccc2sccc12,[*]N1CCN([*])C1=O,0.14080104,False
22953,O=C(NCC=CCN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5163934,False
22954,O=C(NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4678053,False
22955,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63303185,False
22956,O=C(NCC=CCN1CCN(c2ccc(Oc3ccccc3Cl)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42708442,False
22957,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccccc2O)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89716417,False
22958,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccc(O)cc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8558501,False
22959,O=C(NCC=CCN1CCN(c2cccc3c2Cc2cccc(O)c2CC3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6829164,False
22960,O=C1N(CC2CCCNC2)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.44760054,False
22961,O=C1N(CC2COCO2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.24213961,False
22962,CC1NCOCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.37521878,False
22963,CCCN(Cc1ccon1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5866121,False
22964,CCCc1cccc2c1OCC(N(CC)Cc1occc1C(=O)[O-])C2,[*]CN([*])C1COc2c([*])cccc2C1,0.2767116,False
22965,CCN(CC(C)C)C1COc2c(cccc2C(=O)C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.35599118,False
22966,CCOc1c(OC)ccc(C)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18887924,False
22967,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([N+](=O)OC)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.42477885,False
22968,COc1cccc(CN(C)CN2CCN(Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.36867934,False
22969,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2CCO)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94971097,False
22970,Cc1ccc(CC(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6183758,False
22971,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1[nH]cc2c(Cl)cccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8445348,False
22972,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cn2ccccc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87020224,False
22973,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c[nH]c(-c2ccc(O)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8733635,False
22974,O=C(NCN1CCN(CC2CCc3ccccc3C2)C1=O)c1cccs1,[*]N1CCN([*])C1=O,0.2922327,False
22975,O=C1N(CC2CCCCO2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.31517574,False
22976,O=C1N(CC2Cc3ccccc3C2)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.59846383,False
22977,O=C1N(CCN2CCCCC([O-])C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.75857574,False
22978,O=C1N(Cc2cccc(Cl)c2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.3177386,False
22979,C=CCOc1c(C)ccc(Br)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17133622,False
22980,CCCCN(CC)C1COc2c(cccc2S(=O)(=O)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41020876,False
22981,CCCCN(Cc1ccco1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.38974178,False
22982,CCCN(CC(=O)Cc1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43596646,False
22983,CCCN(CC(O)c1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5288661,False
22984,CCCc1cccc2c1OCC(N(CCC)c1ccc(C(C)(C)O)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.55041045,False
22985,CCOc1c(CC)ccc(O)c1C(=O)NCC1CCCN1Cl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24788618,False
22986,CCc1ccc(C)c(OSOC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17437556,False
22987,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(C)cc2Cl)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39507776,False
22988,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc([N+](N)=O)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.33658585,False
22989,COc1ccc(-c2cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cs2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37853354,False
22990,COc1cccc(N2CCN(CC3CCCN4CCCCC34)C2=O)c1,[*]N1CCN([*])C1=O,0.41736612,False
22991,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3c2-c2ccccc2C3=O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.820428,False
22992,O=C(C=Cc1ccccc1F)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72992283,False
22993,O=C(NCC=CCN1CCN(C2=C3C=CC=C(C=CC=C2)C=C3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40296975,False
22994,O=C1N(CCN2C3CCCC2CCC3)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.528633,False
22995,O=C1N(Cc2cccs2)CCN1C1CCc2ccsc2CC1,[*]N1CCN([*])C1=O,0.4756546,False
22996,CCCN(CO)C1COc2c(CCCN3CCC(=O)C4(CCCC4)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5276467,False
22997,CCCN(COC)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6274069,False
22998,CCN(c1ccccc1)c1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81026345,False
22999,CCN1CCCC1CNC(=O)c1c(OCCF)ccc(SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.78237027,False
23000,CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1CCF,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.3073778,False
23001,CCc1ccc(Br)c(C(=O)NCC2CCCN2CS)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6294768,False
23002,CCc1ccc(OC)c(C(=O)NCC2CCCN2CCS)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.49690872,False
23003,COc1ccc2[nH]c(N3CCN(CC=CCNC(=O)c4ccccc4[N+](=O)[O-])CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30288592,False
23004,COc1cccc(CN2CCN(CC(F)(F)F)C2=O)c1,[*]N1CCN([*])C1=O,0.34231624,False
23005,COc1cccc(CN2CCN(OCC3CCCN3c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.31748697,False
23006,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9612828,False
23007,NC(Cc1cccc(Cl)c1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.44685447,False
23008,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44952804,False
23009,O=C(NCC=CCN1CCN(c2ccccc2N2CCOCC2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6889388,False
23010,O=C1N(CC2CCCCC2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.39244872,False
23011,O=C1N(CCN2C3CCCC2CC3)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.39324838,False
23012,O=C1N(CN2CCC(Cc3ccccc3)C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.607922,False
23013,CC(C)N1CCN(CN2CCN(c3cccc(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5314622,False
23014,CC(F)(F)N1CCN(CC2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.37722972,False
23015,CCCN1CCCC(CN2CCN(c3cccc(Cl)c3)C2=O)c2ccoc21,[*]N1CCN([*])C1=O,0.62172157,False
23016,CCN(Cc1ccc(C(F)(F)F)cc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4912335,False
23017,CN(C)c1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42536908,False
23018,CNc1ccnc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86979294,False
23019,COc1ccc2c(C(=O)NCC=CCN3CCN(c4ccccc4F)CC3)c[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5782853,False
23020,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(-c4ccccc4)cc3)CC2)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.417257,False
23021,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2OC(C)C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89511746,False
23022,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8347636,False
23023,Cc1c(C(=O)NCCN2CCN(c3ccc(Br)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7527912,False
23024,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90952593,False
23025,O=C(Nc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40816703,False
23026,O=C1N(CCN2CCNCC2C(F)(F)F)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.53809726,False
23027,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(OCC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.8268289,False
23028,O=C1N(CCNC2CC3CCC(Cc4ccccc4C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.64241177,False
23029,O=C1N(CCc2cc3ccccc3s2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.5219289,False
23030,CC1(C)CC2CCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC2(C)C1,[*]N1CCN([*])C1=O,0.81306607,False
23031,CC1CCC(CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.59519404,False
23032,CCCN(CCC)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.87361705,True
23033,CCCN(O)C1COc2c(CCc3ccc(OC)cc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.58796257,False
23034,CCCc1cccc2c1OCC(N(CO)C(=O)NCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.35916263,False
23035,CN1CCCCC(N2CCN(Cc3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.4383038,False
23036,CN1c2ccccc2CC2CCC1CCC2N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.46952963,False
23037,COCCN1CCN(CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6466549,False
23038,COc1ccc(Cl)c(N2CCN(CC3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.33520988,False
23039,COc1cccc(-c2cc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)c[nH]2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38223487,False
23040,COc1cccc(CCN2CCN(c3cccc(C#N)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.5881138,False
23041,COc1cccc(N2CCN(CCc3cccc(C)n3)C2=O)c1,[*]N1CCN([*])C1=O,0.32877484,False
23042,COc1cccc(N2CCN(CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.63820696,False
23043,COc1ccccc1-c1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7554374,False
23044,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(-c3ccccc3)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8972835,False
23045,N#Cc1cccc(NC(=O)CN2CCN(c3ccc4ccccc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.087405145,False
23046,O=C(NCC=CCN1CCN(Oc2ccc3ccc(O)nc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31066605,False
23047,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Cc2ccccc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8567443,False
23048,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccn[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90957177,False
23049,O=C1N(Cc2cccs2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.34439963,False
23050,CC(C)c1ccccc1N1CCN(CCN2c3ccccc3CC2(C)C)C1=O,[*]N1CCN([*])C1=O,0.42793968,False
23051,CC(c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1)N(C)C,[*]N1CCN([*])C1=O,0.8960862,False
23052,CCCc1cccc2c1OCC(N(CC)CC(=O)c1c[nH]c3ccccc13)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.2967001,False
23053,CCCc1cccc2c1OCC(N(CCC)c1cccc(-c3ccccc3)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.650851,False
23054,CCN(CC)COc1c(OC)ccc(Br)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25677577,False
23055,COC1CNC(CN2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.4080498,False
23056,COc1ccc(-c2cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)co2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36043096,False
23057,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36251098,False
23058,Cc1cccc(N2CCN(C3CCc4ccoc4CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.37293094,False
23059,O=C(NCC=CCN1CCN(c2cc3ccccc3[nH]2)CC1)c1ccc(Cl)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51714975,False
23060,O=C(NCC=CCN1CCN(c2ccc(-c3ccccn3)cc2O)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.524793,False
23061,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(Br)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94997066,False
23062,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc[nH]2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87113607,False
23063,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.8429949,False
23064,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc2c(c1)CCc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79666394,False
23065,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.79062295,False
23066,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc(F)ccc1Cl,[*]N1CCN([*])C1=O,0.8715017,False
23067,CCCCN(CC)C1COc2c(cccc2S(=O)(=O)c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42638013,False
23068,CN1CCCCC(CN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.45464104,False
23069,COc1c(C(=O)NCCN2CCN(c3c(Cl)cccc3N(C)C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.82610404,False
23070,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41536126,False
23071,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3CF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67115414,False
23072,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9083398,False
23073,COc1cccc(N2CCN(CC=CCNC(=O)c3c[nH]c4ccc(OC)cc34)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41251764,False
23074,COc1ccccc1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4243537,False
23075,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39099672,False
23076,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c3c(Cl)cccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8591737,False
23077,Cc1ccc(N2CCN(CCCN3CCCCCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.58068067,False
23078,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1cc(F)cc(Br)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52863795,False
23079,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NC(=O)c1ccsc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9227789,False
23080,O=C(NCC=CCN1CCN(c2ccccc2CF)CC1)c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8064822,False
23081,O=C1N(CC2CCNCC2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.50412333,False
23082,O=C1N(CCN2CCN(c3cccc(Cl)c3)C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.7591064,False
23083,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(C(O)(F)F)c1,[*]N1CCN([*])C1=O,0.8273207,False
23084,O=C1N(CCc2ccccc2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.40630776,False
23085,CC1C(OCc2ccccc2)CCCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7681948,False
23086,CCCN(CC(=O)c1ccoc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47685924,False
23087,CCCc1cccc2c1OCC(N(CC)Cc1ccco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4539484,False
23088,COc1cccc(N2CCN(CC3CCCCN3C(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.4848782,False
23089,COc1cccc2cc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc-2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40031752,False
23090,Cc1ccc2c(c1)CC(CN1CCN(c3ccccc3)C1=O)N2,[*]N1CCN([*])C1=O,0.3965862,False
23091,Cc1cccc(N2CCN(C3CCCCN(C)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.35261485,False
23092,O=C(NCC=CCN1CCN(c2cc(-c3ccccn3)cs2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45808974,False
23093,O=C(NCC=CCN1CCN(c2ccc(-c3cnccn3)cc2)CC1)c1ccc(Cl)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52762485,False
23094,O=C(NCC=CCN1CCN(c2ccc(Br)cc2)CC1)c1c(Cl)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47630528,False
23095,O=C(NCC=CCN1CCN(c2cccc3c2CCc2ccccc2-3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71068037,False
23096,O=C(NCC=CCN1CCN(c2cccc3cc(O)ccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7247147,False
23097,O=C(NCCN1CCN(Cl)CC1)c1cc(Br)c2ccccc2c1-c1cccc([N+](=O)[O-])c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.28049597,False
23098,O=C1N(CC2C=Cc3ccccc3C2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.53087395,False
23099,O=C1N(CC2CCC3Cc4ccccc4CN3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.59159076,False
23100,O=C1N(CN2CCCCc3sccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5392195,False
23101,O=C1N(Cc2cccnc2)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.28385025,False
23102,CC(NC1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1)c1ccccc1,[*]N1CCN([*])C1=O,0.5789732,False
23103,CCCCN(NC(C)=O)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.31075203,False
23104,CCCc1cccc2c1OCC(N(CCC)OS(=O)(=O)c1ccc(F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.503428,False
23105,CCN(C)CCN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6683018,False
23106,CCc1ccc(C)c(O[SH](C)O)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1824657,False
23107,CCc1ccc(OC)c(C(=O)NCC2CCCN2CSO)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.60075045,False
23108,CCc1cccc2c1OCC(N(CC)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4544222,False
23109,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.80773586,False
23110,COc1ccc2cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c(O)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5528091,False
23111,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)c(O)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51180047,False
23112,Cc1csc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.76754355,False
23113,O=C(NCC=CCN1CCN(c2ccc(N3CCOCC3)c(Cl)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38349232,False
23114,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c[nH]c(Br)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8609324,False
23115,O=C(NCCc1cccc(Cl)c1)N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.14360125,False
23116,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.69590026,False
23117,O=C1N(CN2CCCCCC2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.32227653,False
23118,O=C1N(c2cccc(Cl)c2)CCN1C1Cc2ccccc2CC2CCCN2C1,[*]N1CCN([*])C1=O,0.4615611,False
23119,O=C1N(c2ccccc2F)CCN1C1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.33497947,False
23120,CC(C)c1cccc(CN2CCN(COCC3CCCCN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.34723046,False
23121,CC(C)n1cccc1N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.6522074,False
23122,CC1(C)C2CCCC1(CN1CCN(c3cccc(C(F)(F)F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.44516003,False
23123,CCCc1cccc2c1OCC(N(CC)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5549125,False
23124,CCc1ccc(CCCCl)c(C(=O)NCC2CCCN2O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23124652,False
23125,CN1CCCCCC1N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.31845433,False
23126,COc1c(Cl)cccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8847592,False
23127,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2ccc(Cl)cc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45754504,False
23128,COc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9373315,False
23129,O=C(CC(=O)c1ccc(Cl)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7140586,False
23130,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)OCCC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76577824,False
23131,O=C(NCC=CCN1CCN(c2cccc3c2-c2ccccc2CC3O)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6864176,False
23132,O=C1N(CCC2(O)CCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5748365,False
23133,O=C1N(CCN2CCc3sccc3C2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.47250035,False
23134,O=C1N(Cc2cccc(Cl)c2)CCN1Cc1ccccn1,[*]N1CCN([*])C1=O,0.29905432,False
23135,O=C1N(c2ccc(F)c(Cl)c2)CCN1C1CCCCCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3207761,False
23136,O=C1N(c2cccc(Cl)c2)CCN1c1ccccc1-c1ccsc1,[*]N1CCN([*])C1=O,0.28006575,False
23137,CCCCN(CC)C1COc2c(cccc2OC(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.38792884,False
23138,CCCc1cccc2c1OCC(N(CC)CC(c1ccccc1)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.58397996,False
23139,CCCc1cccc2c1OCC(N(CCC)OCc1ccc(F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6669254,False
23140,CN(C)Cc1cccc(N2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.31147516,False
23141,CN(CCN1CCN(c2ccsc2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.7558715,False
23142,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2[N+]([O-])(F)F)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39368427,False
23143,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc3cc(Cl)ccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6525041,False
23144,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(-c4cccc(OC)n4)cc3)CC2)c(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34426716,False
23145,COc1cccc(N2CCN(C(=O)NCc3ccc(F)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.10270904,False
23146,COc1ccccc1-c1ccsc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83369195,False
23147,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(F)c(C)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8858777,False
23148,Cc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77747506,False
23149,Cc1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3CO)CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7702357,False
23150,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8089838,False
23151,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47904304,False
23152,O=C1N(CCC2CCCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.81052464,False
23153,CC(C)Oc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.959755,False
23154,CC(C)Oc1ccccc1CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.6864196,False
23155,CCn1ccc(N2CCN(Cc3cccc(C)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.2794843,False
23156,CN1Cc2ccccc2CC1CN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.4955803,False
23157,COc1c(C(=O)NCCN2CCN(c3ccc(Oc4ccccc4)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8723478,False
23158,COc1cc(N2CCN(C)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.2724133,False
23159,COc1ccc2c(c1)C(N1CCN(CC=CCNC(=O)c3ccccc3OCCF)CC1)CCC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44304457,False
23160,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(-c3ccc(Br)cc3)no2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84532166,False
23161,Cc1ccc(OCCF)c(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3366649,False
23162,O=C(Cc1ccc([N+](=O)[O-])cc1)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6697795,False
23163,O=C(NCC=CCN1CCN(c2cccc(CCF)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45694157,False
23164,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccsn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9225752,False
23165,O=C(NCC=CCN1CCN(c2cccc([N+](F)(F)F)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34876153,False
23166,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(CF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9337405,False
23167,O=C(NCCN1CCN(c2ccccc2)C1=O)c1ccc2c(c1)CCCCC2,[*]N1CCN([*])C1=O,0.29214865,False
23168,O=C1N(CCN2CCC(C(F)(F)F)OC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8143936,False
23169,O=C1N(CCN2CCN(c3cccc(Cl)c3)C2=O)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.71765053,False
23170,O=C1N(CCN2CCc3ccsc3C2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.7018349,False
23171,O=C1N(Cc2cccs2)CCN1C1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.35867274,False
23172,CCCCN(C(C)C)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51310784,False
23173,CCc1ccc([O-])c(OO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20616303,False
23174,CN(C)c1ccc(N2CCN(CC=CCNC(=O)c3ccccc3CF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38476118,False
23175,COCC1CCCN1CN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.30684426,False
23176,CO[N+](=O)c1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3843778,False
23177,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cnc3ccccc3n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7117705,False
23178,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OCCF)c(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45873773,False
23179,COc1cscc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83348435,False
23180,Cc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(F)c3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63345855,False
23181,O=C(NCC=CCN1CCN(c2cc(-c3ccccc3)ccn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43905208,False
23182,O=C1N(CC2CNCCc3ccccc32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5153515,False
23183,O=C1N(CC2CNc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.654986,False
23184,O=C1N(CCN2CCCC3(CCCC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.81479645,False
23185,O=C1N(CCN2CCCCC2OCc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.70951015,False
23186,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.9307525,False
23187,O=C1N(CCNCC2CCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.46783528,False
23188,O=C1N(c2cccs2)CCN1C1CNC2CCC(CCc3ccccc3C2)C1,[*]N1CCN([*])C1=O,0.33092326,False
23189,O=Cc1[nH]ccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8733627,False
23190,CC(C)CN1CCN(CCN2CCN(c3ccc(Cl)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6303071,False
23191,CC1(C)CC2CCC(CN3CCN(c4cccc(Cl)c4)C3=O)(C1)C2(C)C,[*]N1CCN([*])C1=O,0.5941919,False
23192,CCCN(C(=O)c1cccs1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.29919487,False
23193,CCCN(C(C)C)C1COc2c(cccc2OC(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39835396,False
23194,CCCc1cccc2c1OCC(N(CCC)c1ccc(-c3ccccc3)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.69688046,False
23195,CCN(CC)CN1CCN(c2ccc(Cl)cc2Cl)C1=O,[*]N1CCN([*])C1=O,0.26557413,False
23196,CN(Cc1ccco1)CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.29722467,False
23197,COc1ccc(N2CCN(CC=CCNC(=O)c3cccc(F)c3F)CC2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36975414,False
23198,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.36523896,False
23199,COc1cccc(C2CCCN(CCN3CCN(c4ccc(Cl)c(Cl)c4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.8239011,False
23200,COc1cccc(N2CCN(CCN3CCC(N[S+](C)C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8811601,False
23201,Cc1ncccc1C(=O)NCC=CCN1CCN(c2ccc(O)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34702274,False
23202,N#Cc1cccc(N2CCN(Cc3ccc4c(c3)CNC4)C2=O)c1,[*]N1CCN([*])C1=O,0.5247596,False
23203,Nc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8828278,False
23204,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(Br)c2ccccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9118179,False
23205,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1[nH]ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9235909,False
23206,O=C1N(CCn2cccc2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.606575,False
23207,O=C1N(CN2CCC(C(F)(F)F)CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.6772689,False
23208,CCCCN(CC)C1COc2c(cccc2C(=O)O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42831254,False
23209,CCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.29285327,False
23210,CCc1ccc(C)c(O[O-])c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14623812,False
23211,COCC1CNCCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5017926,False
23212,COCCC(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7165892,False
23213,COCCNN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2358126,False
23214,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Oc4ccccc4)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35511082,False
23215,COc1cccc2[nH]cc(C(=O)NCC=CCN3CCN(c4cccc(OCCF)c4)CC3)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38590828,False
23216,COc1ccccc1C(=O)NCC=CCN1CCN(c2coc(-c3ccc(Br)cc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38037068,False
23217,Cc1cccc(C(=O)NCC=CCN2CCN(c3ccc([N+](C)=O)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34379736,False
23218,Cc1csc(N2CCN(CCN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.6574005,False
23219,N#CC1COC(N2CCN(Cc3ccc(Cl)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.34626237,False
23220,O=C(C=CCNC(=O)c1ccccc1[N+](=O)[O-])NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7567893,False
23221,O=C(NCC=CCN1CCN(c2cccc(CF)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40666592,False
23222,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(Br)ccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86998475,False
23223,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Cl)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9481458,False
23224,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.8068154,False
23225,O=C1N(CN2CC3CCCC2C3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.46551114,False
23226,C=CCN(CCC)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7392808,False
23227,CCCCN(Cc1cccc(OC)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45239034,False
23228,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cccnc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45949695,False
23229,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cccn3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5287998,False
23230,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cc[nH]c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.889694,False
23231,COc1ccccc1N1CCN(CC=CCNC(=O)c2cnc3cc(OCCF)ccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8710235,False
23232,Cc1nc(O)ccc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89195913,False
23233,N#Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9753099,False
23234,O=C(CN1CCN(CC2CCCCN2)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.26047963,False
23235,O=C(NCC=CCN1CCN(c2c(O)ccc3ccc(OCCF)cc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31873536,False
23236,O=C(NCC=CCN1CCN(c2c[nH]c3ccc(O)cc23)CC1)c1ccsc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44942585,False
23237,O=C(NCC=CCN1CCN(c2ccc([N+]([O-])c3ccccc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35769343,False
23238,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc2cccc(O)c2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8790087,False
23239,O=C1N(CC2CCCCCN2CCc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.60295063,False
23240,O=C1N(CC2CCCCN2)CCN1c1cscn1,[*]N1CCN([*])C1=O,0.38104966,False
23241,O=C1N(CCN2CCC3=C4C=CC=CC=CS3=CC4C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.62123543,False
23242,O=C1N(CCN2Cc3ccccc3CC3CCCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7617715,False
23243,O=C1N(CCn2ccc(Cl)c2)CCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.39543766,False
23244,O=C1N(c2ccc3c(c2)OCO3)CCN1C1CCCCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.26381066,False
23245,CC(C)N1CCCN(CCN2CCN(c3cccc(C(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8757915,False
23246,CC(C)N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.17286025,False
23247,CC1CC2CCC(CN(C)CCN3CCN(c4cccc(Cl)c4)C3=O)(CC2)C1,[*]N1CCN([*])C1=O,0.7390866,False
23248,CCc1cccc2c1OCC(N(COC)CC(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4514106,False
23249,CN1CCCCC1CN1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.5591572,False
23250,CN1CCc2ccc(N3CCN(c4ccccn4)C3=O)cc21,[*]N1CCN([*])C1=O,0.36802533,False
23251,COc1cccc(N2CCN(CCN3C4CCCCCC3Cc3ccccc3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.6072835,False
23252,COc1ccccc1C(=O)NC(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89788055,False
23253,COc1cncc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42646852,False
23254,Cc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6756475,False
23255,N#Cc1ccccc1CNC(=O)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.15895969,False
23256,O=C(NCC=CCN1CCN(c2cc3ccccc3o2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44726956,False
23257,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(Cl)ccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72754174,False
23258,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93661773,False
23259,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccnc1-c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86910707,False
23260,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ncc(F)cc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8187751,False
23261,O=C(NCC=CCN1CCN(c2cccc3cccc(O)c23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6851954,False
23262,O=C(NCC=CCN1CCN(c2ccncc2)CC1)c1cccc(Cl)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5630068,False
23263,O=C1N(CCN2CC3CCCCC2CC3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.55078757,False
23264,O=C1N(CCNCc2cc3ccccc3s2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.31838292,False
23265,O=C1N(Cc2ccccc2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.37983352,False
23266,CC1Cc2ccccc2N1CN1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.43626934,False
23267,CCN1CCCC1CNC(=O)c1c(C)ccc(O)c1OCOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.78745574,False
23268,CCNCCN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.39446232,False
23269,CCOc1c(C)ccc(CCCCS)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14999492,False
23270,COCC1CCCCN1CN1CCN(c2ccsc2)C1=O,[*]N1CCN([*])C1=O,0.31329182,False
23271,COc1c(C(=O)NCCN2CCN(c3ccccc3[N+]([O-])[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8079361,False
23272,COc1c(C)cccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64358366,False
23273,COc1ccc([N+](=O)[O-])cc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67344594,False
23274,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3c(c2)-c2ccccc2C3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45469975,False
23275,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3cc(Cl)ccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48340634,False
23276,Cc1ccc(F)cc1-c1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84062046,False
23277,Cc1cccc(N2CCN(CCN3Cc4ccccc4C3c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.65249103,False
23278,O=C(C=Cc1cccc(Cl)c1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70378536,False
23279,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(CF)c(-c2ccccc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8975496,False
23280,O=C1N(CCCN2Cc3ccccc3C2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.7347314,False
23281,O=C1N(CCN2CCCC3Cc4ccccc4CC32)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.50695705,False
23282,O=C1N(CCN2CCCCC2O)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.31561282,False
23283,CC1CN(CCN2CCN(c3cccc(Cl)c3)C2=O)C2(C)CC1C(C)(C)C2,[*]N1CCN([*])C1=O,0.75981194,False
23284,CCCCc1ccc(C)c(OCC)c1C(=O)NCC1CCCN1CO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.38437286,False
23285,CCN(CCl)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5786435,False
23286,CCN1CCCC1CNC(=O)c1c(O)ccc(Br)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.80964214,False
23287,COOc1c(O)ccc(C)c1C(=O)NCC1CCCN1CCc1ccccc1,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.370863,False
23288,COc1cc(OC)c(OC)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9118428,False
23289,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c(C)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80701447,False
23290,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C)cc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84568185,False
23291,N#Cc1cccc(N2CCN(CCC3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.57153744,False
23292,O=C(NCC=CCN1CCN(c2ccc(-c3ccncn3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47934377,False
23293,O=C(NCC=CCN1CCN(c2ccc(F)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46354565,False
23294,O=C1N(CCN2C3CCCC2Cc2ccccc2C3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.57103354,False
23295,O=C1N(CCN2CCCCC3CCC(c4ccccc4)C32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6477635,False
23296,O=C1N(CCN2CCCCCCC2)CCN1c1ccc(C(F)(F)F)cc1,[*]N1CCN([*])C1=O,0.8958306,False
23297,O=C1N(Cc2cccc(Cl)c2F)CCN1C1CCCCN(Cc2cccc(Cl)c2)C1,[*]N1CCN([*])C1=O,0.41010305,False
23298,O=C1N(Cc2ccccc2)CCN1CC1CCCN(Cc2cccc(Cl)c2)C1,[*]N1CCN([*])C1=O,0.49581373,False
23299,O=C1N(c2ccc(Cl)cc2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.26474342,False
23300,CC(C)Oc1cccc(N2CCN(c3ccc(Cl)cc3F)C2=O)c1,[*]N1CCN([*])C1=O,0.16038463,False
23301,CC(C)c1cccc2c1OCC(N(CO)CN1CCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.54477155,False
23302,CCCCN(C1COc2c(cccc2C(=O)c2ccccc2)C1)C1CCC(C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3290384,False
23303,CCCc1cccc2c1OCC(N(CO)CCCN1C(=O)CC(C)(C)CC1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.48912,False
23304,CCOc1c(C)ccc(OS(C)(=O)=O)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.13485843,False
23305,CCc1ccc(SO)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.892878,False
23306,CN(C)Cc1csc2c(N3CCN(c4cccc(Cl)c4)C3=O)cccc12,[*]N1CCN([*])C1=O,0.35907853,False
23307,CN1CC(N2CCN(Cc3cccc(Cl)c3)C2=O)CC(C)(C)C1,[*]N1CCN([*])C1=O,0.3612551,False
23308,COCC1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.91049725,False
23309,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5005644,False
23310,COc1ccc2c(c1)Cc1cc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)ccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36953816,False
23311,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3ccc(OCCF)cc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41357467,False
23312,O=C(NCC=CCN1CCN(c2ccc(-c3cccc(F)c3)cc2O)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5137702,False
23313,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48006946,False
23314,O=C(NCC=CCN1CCN(c2csc(OCCF)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47307453,False
23315,O=C1N(CC2CCNCC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.4270907,False
23316,O=C1N(c2cccc(Cl)c2)CCN1C1CCc2ccsc2C1,[*]N1CCN([*])C1=O,0.4205902,False
23317,CC(C)Oc1ccccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7237355,False
23318,CC(C)c1cccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8162007,False
23319,CC(CN1CCN(c2cccc(F)c2)C1=O)N1CCCCC1,[*]N1CCN([*])C1=O,0.28870976,False
23320,CC1(C)CCCC(N2CCN(CCN3Cc4ccccc4C3)C2=O)C1,[*]N1CCN([*])C1=O,0.6299869,False
23321,CC=[SH]Cc1ccc(OC)c(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20573968,False
23322,COc1ccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)s2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4191582,False
23323,COc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40089276,False
23324,COc1cccc(CN(C)CN2CCN(C(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.29176968,False
23325,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34690854,False
23326,O=C(CC(=O)NCc1ccccc1)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73124117,False
23327,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccccc2)ccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8717548,False
23328,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84307116,False
23329,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc2c(c1)C=CC=CC=C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7577746,False
23330,O=C1N(CC2CCC3Cc4ccccc4NC3C2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.6065823,False
23331,O=C1N(CC2CCCCNC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.42888966,False
23332,O=C1N(CCN2CCN(Cc3cccc(Cl)c3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7841611,False
23333,O=C1N(CCN2CCc3sccc3C2)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.44694734,False
23334,O=C1N(COCc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5252996,False
23335,C#Cc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9616671,False
23336,CC1C2CCCCCCC1(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.47317153,False
23337,CC1CNCCN1CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.56047285,False
23338,CCCCN(CC)C1COc2c(cccc2-c2occc2O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4932061,False
23339,CCCCN(CC1CCCCC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54810995,False
23340,CCCN(CO)C1COc2c(Cc3ccco3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42366552,False
23341,CCCOC1CCCc2ccc(N3CCN(c4ccccc4)C3=O)cc21,[*]N1CCN([*])C1=O,0.39514753,False
23342,CN(CCN1CCN(c2ccccc2Cl)C1=O)Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4545683,False
23343,CN(CN1CCN(c2ccnc(Cl)c2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.4629116,False
23344,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(F)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3635718,False
23345,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2C(C)C)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.40782323,False
23346,COc1cccc(C(=O)NCC=CCN2CCN(c3cccnc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67556655,False
23347,COc1cccc(CN2CCN(c3cccc(OC)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.40208644,False
23348,COc1cccc(N2CCN(Cc3nc4ccccc4s3)C2=O)c1,[*]N1CCN([*])C1=O,0.33646557,False
23349,Cc1cccc(N2CCN(CCNCC3COc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.47882694,False
23350,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1cccc(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.57229364,False
23351,O=C(NCCN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34481996,False
23352,O=C1N(CCc2ccccc2)CCN1Cc1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.38923764,False
23353,O=C1N(Cc2cc(Cl)ccc2F)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.25035912,False
23354,CC(C)Oc1ccccc1N1CCN(Cc2cc3ccccc3s2)C1=O,[*]N1CCN([*])C1=O,0.25088435,False
23355,CC(C)c1cccc(N2CCN(CCN3CCc4ccc(C#N)cc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7399476,False
23356,CC(CN1CCN(CCN2CCN(C(C)C)CC2)C1=O)c1ccccc1,[*]N1CCN([*])C1=O,0.5612226,False
23357,CCCCc1cccc2c1OCC(N(CC)CO)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.53276056,False
23358,CCN1CCCC1CNC(=O)c1c(C)ccc(O)c1OC(C)C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6826329,False
23359,CN1CCCCCC1CN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.55819434,False
23360,COc1cc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9219811,False
23361,COc1ccc(-c2cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8480849,False
23362,COc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4ccccc4F)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.57987285,False
23363,COc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8588281,False
23364,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3OCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8470872,False
23365,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3cccc(OCCF)c23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83552814,False
23366,O=C(NCC=CCN1CCN(c2c[nH]c3c(O)cccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6468574,False
23367,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1sccc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8106781,False
23368,O=C1N(CCN2C3CCCC2Cc2ccccc2C3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.59933096,False
23369,O=C1N(CCN2CCCc3sccc3C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.70652074,False
23370,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(CF)cc1,[*]N1CCN([*])C1=O,0.86781925,False
23371,C#CCN(CO)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47268382,False
23372,CCCN(Cc1ccc(CC)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62148684,False
23373,CCN1CCN(c2ccc3c(c2)Cc2ccccc2C(C)CCN3C)C1=O,[*]N1CCN([*])C1=O,0.6601772,False
23374,CCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OCC=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.605278,False
23375,CN(Cc1coc2ccccc12)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.41676837,False
23376,CN1CCCC(CN2CCN(c3ccc(F)c(C#N)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.49189156,False
23377,CN1CCCCC1CN1CCN(c2ccc3sccc3c2)C1=O,[*]N1CCN([*])C1=O,0.5009072,False
23378,COCC1CC2CCC1N(Cc1ccccc1N1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.37904236,False
23379,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(O)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4129467,False
23380,COc1cccc(N2CCN(CC=CCNC(=O)c3sccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38547513,False
23381,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccccc3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33010888,False
23382,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc([N+](=O)c3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40105736,False
23383,Cc1ccc(C)c(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.82372206,False
23384,O=C(NCC=CCN1CCN(C=Cc2ccccc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33573198,False
23385,O=C(NCC=CCN1CCN(c2ccc(F)nc2)CC1)c1cccc(OCCF)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44352397,False
23386,O=C(NCC=CCN1CCN(c2cnc(-c3ccccc3)[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5496871,False
23387,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccno1,[*]N1CCN([*])C1=O,0.8403591,False
23388,C=Cc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8576421,False
23389,CC(F)N1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.23156461,False
23390,CC1CC2(CN(C)CCN3CCN(c4cccc(Cl)c4)C3=O)CCC1C2(C)C,[*]N1CCN([*])C1=O,0.7906749,False
23391,CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.73115784,False
23392,CCN1CCCCC1N1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.33429074,False
23393,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(F)cc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94335485,False
23394,O=C(NCC=CCN1CCN(c2c[nH]c(-c3cccs3)c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38531768,False
23395,O=C(NCC=CCN1CCN(c2ccccc2-c2ccccc2)CC1)c1cccc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8076642,False
23396,O=C1N(CC2CCCCCN2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.6179972,False
23397,O=C1N(CC2CCCCN2Cc2cccc(Cl)c2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.4196619,False
23398,O=C1N(CC2CCCCN2Cc2ccsc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.53849757,False
23399,O=C1N(CC2CCNCC2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.5391603,False
23400,O=C1N(CC2CCOCC3C(c4ccccc4)CCN23)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.30389193,False
23401,O=C1N(CC2CNCC3Cc4ccccc4CCC32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.46443233,False
23402,O=C1N(CCN2CC3CCCC(CC3)C2)CCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.60002387,False
23403,O=C1N(CCN2CC3CCc4ccccc4CC2CC3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5639212,False
23404,O=C1N(CCN2CCc3ccsc3CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.61810195,False
23405,O=C1N(CCc2ccc3c(c2)Cc2ccccc2S3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.52080953,False
23406,CC(C)N1CCN(CCN2CCN(C(C)c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6553369,False
23407,CCCCc1ccc(OC)c(OCCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.29225367,False
23408,CCCc1cccc2c1OCC(N(CCC)c1ccc(C(C)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6538386,False
23409,CCN1CCCC1CNC(=O)c1c(C)ccc(O)c1O[N+](=O)[O-],[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5648718,False
23410,CCN1Cc2ccccc2CC2CCC1CNC2N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.52712077,False
23411,CN1CCN(CCN2CCN(c3cccc(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8099431,False
23412,COc1cccc(-c2cccc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7899494,False
23413,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(Cl)cc3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9487108,False
23414,Cc1ccc(Oc2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7817664,False
23415,N#Cc1cc2ccccc2cc1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.48850483,False
23416,O=C(CN1CCN(c2csc3ccccc23)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.14718091,False
23417,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)cn2)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49443617,False
23418,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cn[nH]c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8055926,False
23419,O=C1N(CC2CCCCN2Cc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5257002,False
23420,O=C1N(CCN2CCN(CO)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.76483524,False
23421,O=C1N(c2cccc(Cl)c2)CCN1c1ccccc1CN1CC2CCC(CC2)C1,[*]N1CCN([*])C1=O,0.5682292,False
23422,CC1(C)CC(N2CCN(Cc3cccc(Cl)c3)C2=O)CN(Cc2ccccc2)C1,[*]N1CCN([*])C1=O,0.51918685,False
23423,CC1(C)CCC(CN2CCN(c3cc(F)cc(Cl)c3)C2=O)NC1,[*]N1CCN([*])C1=O,0.3848153,False
23424,CCCc1cccc2c1OCC(N(CCC)C(=O)NC(C)(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.44445658,False
23425,CCCc1cccc2c1OCC(N(CO)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5253425,False
23426,CN1CCCCC(N2CCN(c3ccc(F)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.38508835,False
23427,CNc1ccc(Cl)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7440597,False
23428,COc1ccccc1C(=O)NCC=CCN1CCN(c2sc3ccccc3c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35494223,False
23429,COc1ccccc1N1CCN(CC=CCNC(=O)C(=O)c2ccc(-c3ncccc3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77001005,False
23430,COc1ccccc1N1CCN(CC=CCNC(=O)C2=CC=CC3=CC=CC=CC3=C2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80374646,False
23431,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Br)cc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85807914,False
23432,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3[nH]ccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8717986,False
23433,Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1-c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86679596,False
23434,O=C(NCC=CCN1CCN(Oc2ccc(-c3cccs3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3089552,False
23435,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)c(Cl)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47411412,False
23436,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1-n1cccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8839994,False
23437,O=C(NCCN1CCN(CCN2Cc3ccccc3C2)C1=O)c1cccs1,[*]N1CCN([*])C1=O,0.50647056,False
23438,O=C1N(CCN2CCC(c3ccccc3)CC2)CCN1Cc1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.77314514,False
23439,O=C1N(CCNCc2ccccn2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.43758777,False
23440,O=C1N(CCOCc2cccc(Cl)c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7267844,False
23441,CC(C)N1CCN(CCN2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.7046204,False
23442,CC1(C)CCC2(C)CCCN(C2)C(N2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.3660977,False
23443,CCCCN(CC)C1COc2c(cccc2C2CC(=O)CC(O)C2C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40699932,False
23444,CCCCN(c1cc[nH]c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5507821,False
23445,CCCN(CS(=O)(=O)c1ccc(C(F)(F)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.467987,False
23446,CCCN(OC)C1COc2c(Cc3ccsc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7651561,False
23447,CCCc1cccc2c1OCC(N(CC)CC(=O)Cc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.34906754,False
23448,CCCc1cccc2c1OCC(N(CCC)c1ccc(C#N)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.62321246,False
23449,CN(Cc1cc2ccccc2s1)CN1CCN(c2cc(Cl)ccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.3504636,False
23450,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43858334,False
23451,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc([N+](=O)F)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43069562,False
23452,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79761714,False
23453,Cc1cccc(CN(C)CCN2CCN(c3ccccn3)C2=O)c1,[*]N1CCN([*])C1=O,0.4107437,False
23454,O=C(NCC=CCN1CCN(c2cc[nH]c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4937056,False
23455,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccsn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5061569,False
23456,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(F)cc2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92082554,False
23457,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(OCCF)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8878174,False
23458,O=C(NCC=CCN1CCN(c2cccnc2Cl)CC1)c1cccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63342625,False
23459,O=C(NCC=CCN1CCN(c2ccsc3cccc2-3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68229395,False
23460,CC(NCCN1CCN(c2cccc(Cl)c2)C1=O)C1CCCCC1,[*]N1CCN([*])C1=O,0.63721997,False
23461,CC1(C)C2CCC1(CN1CCN(c3ccc(F)c(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.45298135,False
23462,CC1(C)CC2CC(C)(CN2CCN2CCN(Cc3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.5244741,False
23463,CC1(C)CC2CCCCC1CN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7016489,False
23464,CCCN(CC(C)C)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7048253,False
23465,CN(C)CC1CCCCC1N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.32944027,False
23466,CNc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56936646,False
23467,COc1c(C(=O)NCCN2CCN(c3cccc(SC)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.84009045,False
23468,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(OCCF)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35542783,False
23469,COc1ccccc1N1CCN(CCN2CCCOC2)C1=O,[*]N1CCN([*])C1=O,0.48116583,False
23470,Cc1cc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73770034,False
23471,Cc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c(N)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8775009,False
23472,O=C(NCC=CCN1CCN(NCCO)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.27828726,False
23473,O=C(NCC=CCN1CCN(c2c[nH]c3ccc(OCCF)cc23)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48474294,False
23474,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc([N+](F)F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91650254,False
23475,O=C1N(CCN2CCC3Cc4ccccc4CC3C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5015927,False
23476,O=C1N(CCNCc2cccc3sccc23)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5372346,False
23477,C=CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21659076,False
23478,CC12CCCC1(CN1CCN(c3cccc(Cl)c3)C1=O)CCC2,[*]N1CCN([*])C1=O,0.568302,False
23479,CCCCN(CC)C1COc2c(N)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.63162225,False
23480,CCCN(c1ccccc1)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4453215,False
23481,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c(N(C)C)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5169912,False
23482,COc1cccc(C(=O)NCC=CCN2CCN(c3cc4cc(OCCF)ccc4[nH]3)CC2)c1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34694442,False
23483,COc1cccc(C(=O)NCC=CCN2CCN(c3ccc(OCCF)cc3)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41094857,False
23484,COc1ccccc1C(=O)NCC=CCN1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.15577643,False
23485,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3c2-c2ccccc2C3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8712533,False
23486,O=C(NCC=CCN1CCN(c2cc(Cl)ccc2OCCF)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49544615,False
23487,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3Br)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48722917,False
23488,O=C(NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2-3)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49299064,False
23489,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(F)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9077097,False
23490,O=C1N(CC2Cc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6803145,False
23491,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.7452767,False
23492,O=C1N(CCN2CC3CCC(c4ccccc4)C2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.70851296,False
23493,O=C1N(Cc2ccc3c(c2)CNCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.45809135,False
23494,CC(C)N1CCN(c2ccc3c(c2)CNC3)C1=O,[*]N1CCN([*])C1=O,0.26483038,False
23495,CC1(C)CC2CC(C)(CN2CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.86803955,True
23496,CCCN(CCC)C1COc2c(cccc2-c2cccc(C=O)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7443582,False
23497,CCc1ccc(C)c(OSC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7087731,False
23498,COc1cccc(CN2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.73926365,False
23499,COc1cccc(N2CCN(C3CNCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.3067653,False
23500,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3cnco3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40050772,False
23501,Cc1ccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)cn1,[*]N1CCN([*])C1=O,0.7358537,False
23502,Cc1cccc(C(=O)NCC=CCN2CCN(c3ccc(F)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38675475,False
23503,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3O)CC2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6441628,False
23504,N#Cc1cccc(N2CCN(Cc3ccccn3)C2=O)c1,[*]N1CCN([*])C1=O,0.36535314,False
23505,N#Cc1cccc(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.45437238,False
23506,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccc(Cl)cc2)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8948134,False
23507,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8549511,False
23508,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1OCc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88616514,False
23509,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1c(F)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4096118,False
23510,O=C1N(CCN2CC3CCC(CC3)C2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.7351117,False
23511,C#Cc1cccc(CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.48697618,False
23512,CC(C)Oc1cccc(N2CCN(CC3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.4779392,False
23513,CCCN(CCC)C1COc2c(cccc2-c2c[nH]c3ccccc23)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7168191,False
23514,CCCc1cccc2c1OCC(N(CCC)c1c[nH]c3ccccc13)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6108503,False
23515,COc1ccc(-c2ccccc2)cc1N1CCN(CC=CCNC(=O)c2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5329333,False
23516,COc1ccc(F)c(C(=O)NCC=CCN2CCN(c3ccc(-c4ccccn4)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4174727,False
23517,COc1cccc(N2CCN(CC3Cc4ccccc4C(O)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.50864756,False
23518,COc1cccc(N2CCN(c3ccccc3-c3ccc(Br)cc3C)C2=O)c1,[*]N1CCN([*])C1=O,0.14623918,False
23519,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3ccccn3n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4403601,False
23520,Cc1ccc(CN2CCN(C3CCCCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.26895243,False
23521,Cc1cccc(N2CCN(CC3COCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.394375,False
23522,O=C(NCC=CCN1CCN(c2ccc(-c3cccnc3)cc2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4836517,False
23523,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8658739,False
23524,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(-c2ccc(O)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6854337,False
23525,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1coc(-c2ccc(O)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8511827,False
23526,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc([O-])c1,[*]N1CCN([*])C1=O,0.8048928,False
23527,O=C1N(CCc2ccccc2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.55358726,False
23528,O=C1N(Cc2ccc3ccccc3c2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.27920106,False
23529,O=C1N(c2ccccc2)CCN1c1cccc(C2CCNCC2)c1,[*]N1CCN([*])C1=O,0.33189413,False
23530,CC1(C)CC2(C)CCC(CN3CCN(CCc4ccccc4)C3=O)(C1)C2,[*]N1CCN([*])C1=O,0.37796155,False
23531,CCCN(CC=O)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.68622255,False
23532,CCCc1cccc2c1OCC(N(C)Cc1cc[nH]c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6398781,False
23533,CCNC(C)=CN1CCCC1CNC(=O)c1c(OC)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27065206,False
23534,CN(CCN1CCN(c2ccc(Cl)cc2)C1=O)COC1CCc2ccccc21,[*]N1CCN([*])C1=O,0.62058467,False
23535,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84545445,False
23536,COc1ccc(N2CCN(CC=CCNC(=O)c3c[nH]c4ccccc34)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6118239,False
23537,COc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3O)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5201461,False
23538,Cc1cccc(CNCCN2CCN(c3ccc(Cl)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.26848853,False
23539,Cn1cc(-c2ccccc2)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84327394,False
23540,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc2cc(O)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9729408,False
23541,O=C(NCC=CCN1CCN(c2conc2-c2ccc(F)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5141084,False
23542,O=C1N(CCN2CCCCCC2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.682683,False
23543,O=C1N(CCON2Cc3ccccc3C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5709233,False
23544,O=C1N(Cc2cccc(Cl)c2)CCN1C1CCCCO1,[*]N1CCN([*])C1=O,0.2984087,False
23545,O=C1N(c2cccc(Cl)c2)CCN1C1CCN2CCCCCC2c2ccccc2C1,[*]N1CCN([*])C1=O,0.4304939,False
23546,O=C1N(c2cccs2)CCN1C1COCCN1,[*]N1CCN([*])C1=O,0.14103028,False
23547,CC(C)N1CCN(CCN2CCN(c3cccc(-c4ccccc4Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.71162647,False
23548,CC1CCCCCN1CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.33580574,False
23549,CCCCN(c1ccc(OC)cc1)C1COc2c(CCC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52235115,False
23550,CCCN(CCC)C1COc2c(cccc2C(F)(F)C(F)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7432567,False
23551,CCCc1cccc2c1OCC(N(CC)Cc1ccccc1C(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.58100396,False
23552,CCN1CCCC1CNC(=O)c1c(CO)ccc(SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7637727,False
23553,CCc1ccc(CC)c(C(=O)NCC2CCCN2CC)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.76273304,False
23554,COc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2ccc(Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4705163,False
23555,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(-c3ccccc3)c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8976707,False
23556,C[SH](=O)(c1cccc(Cl)c1)N1CCN(CCN2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.73789084,False
23557,Cc1cnc(N)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8916055,False
23558,O=C(Cc1ccc(Cl)c(Cl)c1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8089675,False
23559,O=C(NCC=CCN1CCN(OCc2ccccc2Cl)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31496355,False
23560,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)nc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42774045,False
23561,O=C1N(CCN2CCCC(c3ccsc3)CC2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.8078433,False
23562,O=C1N(CCN2CCCCCCC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.8738945,False
23563,CCCN(C(C)C)C1COc2c(cccc2C(F)(F)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6868632,False
23564,CCCN(CCC)C1COc2c(cccc2-c2ccc(C(=O)C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49427533,False
23565,CCCN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8425566,False
23566,COc1ccc(-c2ccccc2N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6984584,False
23567,COc1cccc(N2CCN(CC(=O)NCc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.1294424,False
23568,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(-c3ccccn3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4598618,False
23569,N#Cc1cccc(CN2CCN(CC(F)(F)c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.38842407,False
23570,N#Cc1cccc(N2CCN(CCN3Cc4ccccc4C(O)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7166348,False
23571,O=C(Cc1cccc(F)c1)N1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.39782473,False
23572,O=C(NCC=CCN1CCN(c2ccc(F)cc2OCCF)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6389251,False
23573,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NC(=O)c1c[nH]c(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79218477,False
23574,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2c(OCCF)cccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82671905,False
23575,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.57899785,False
23576,O=C1N(CCCc2cccs2)CCN1c1ccc2c(c1)Cc1ccccc1S2,[*]N1CCN([*])C1=O,0.5629003,False
23577,O=C1N(CCN2CCCCCC2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.72222,False
23578,O=C1N(CCN2CCc3ccccc3C2)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.68833625,False
23579,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)CCC2,[*]N1CCN([*])C1=O,0.7890539,False
23580,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)CCO2,[*]N1CCN([*])C1=O,0.80100656,False
23581,O=C1N(c2cccc(Cl)c2)CCN1c1cccc(C2CCNC2)c1,[*]N1CCN([*])C1=O,0.43333712,False
23582,CC(=O)N1CCN(CCN2CCN(c3ccc4c(c3)C=C[S+]([O-])c3ccccc3C4)C2=O)CC1,[*]N1CCN([*])C1=O,0.29150847,False
23583,CCN(C)CCN1CCN(c2ccccc2C(F)(F)F)C1=O,[*]N1CCN([*])C1=O,0.522153,False
23584,CCOc1c(COC)ccc(O)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24469429,False
23585,CN(CCN1CCN(c2ccc(Cl)cc2)C1=O)C12CCCC(C)(C1)C2(C)C,[*]N1CCN([*])C1=O,0.5613267,False
23586,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c(C)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82255185,False
23587,Cc1ccc(CN2CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC2)s1,[*]N1CCN([*])C1=O,0.6159072,False
23588,Cc1cccc(N2CCN(C3CCCNCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.2784691,False
23589,Nc1cc(Br)ccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8356395,False
23590,O=C(NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2-3)CC1)c1ccc(Cl)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5473561,False
23591,O=C(NCC=CCN1CCN(c2ccc3cc(O)ccc3c2)CC1)c1cc(Cl)c[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.417443,False
23592,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)NC(=O)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89731133,False
23593,O=C(NCC=CCN1CCN(c2cnccn2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43833068,False
23594,O=C1N(CCN2CC3CCC2CCCc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7100279,False
23595,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(OC(F)(F)F)cc1Cl,[*]N1CCN([*])C1=O,0.85006225,False
23596,O=C1N(CCNCC2CCCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6264973,False
23597,CCCCN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OOCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.3376887,False
23598,CCCc1cccc2c1OCC(N(CC)Cc1ccc(C(C)=O)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.33919016,False
23599,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3cccnc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43918794,False
23600,C[N+]c1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6858171,False
23601,Cc1cc(-c2ccccc2)ccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.565354,False
23602,N#CCN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8291382,False
23603,Nc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96171266,False
23604,O=C(NCC=CCN1CCN(c2ccc3c(c2)Cc2ccccc2-c2ccccc2-3)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4817103,False
23605,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(OCCF)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9622096,False
23606,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96173394,False
23607,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccncc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9139722,False
23608,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)Nc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6759179,False
23609,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(C(F)F)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.898854,False
23610,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cnccc2O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8954568,False
23611,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1N1CCOCC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6918245,False
23612,O=C1N(CCN2C=Cc3ccsc3CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5924533,False
23613,O=C1N(CCN2c3ccccc3CC2CF)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.54188985,False
23614,O=C1N(CN2CCCC(c3ccccc3)C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.58735824,False
23615,CC(C)NC1CCC(CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.4987752,False
23616,CCCN(CCC)C1COc2c(cccc2OC(=O)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5207359,False
23617,CCCc1ccc(O)c(OCC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6408618,False
23618,CCCc1cccc2c1OCC(N(CO)c1cccc(C(F)(F)F)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5074628,False
23619,CCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1CCCCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.3075398,False
23620,CN1CC2Cc3ccccc3C1CC(N1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.6141039,False
23621,COc1c(C(=O)NCCN2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7827845,False
23622,COc1cccc(CN2CCC(N3CCN(c4cc(F)cc(Cl)c4)C3=O)CC2(C)C)c1,[*]N1CCN([*])C1=O,0.28385735,False
23623,COc1cccc(CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.4900055,False
23624,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c3cc(Cl)c(O)cc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84247404,False
23625,N#Cc1cccc2c1CCNC2CN1CCN(Cc2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.44707504,False
23626,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86239403,False
23627,O=C1N(c2ccc(F)c(Cl)c2)CCN1C1CCCCN1CCc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3837169,False
23628,O=C1N(c2cccc(Cl)c2)CCN1C1CCNCC1C(F)(F)F,[*]N1CCN([*])C1=O,0.43484968,False
23629,CC(NC1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1)c1ccccc1,[*]N1CCN([*])C1=O,0.50737417,False
23630,CCCCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.58196026,False
23631,CCCN(C)c1cccc(N2CCN(c3ccc4sccc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.31422415,False
23632,CCCN(CCC)C1COc2c(cccc2-c2cccc(Cl)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7450773,False
23633,CCCN(COC)C1COc2c(CCCN3C(=O)CC(=O)CC3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53254545,False
23634,CCCc1cccc2c1OCC(N(CO)Cc1ccco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.39536315,False
23635,COc1ccccc1-c1coc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72989076,False
23636,COc1ccccc1N1CCN(CC=CCNC(=O)c2cnc3ccccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90954936,False
23637,N#Cc1cccc(CN2CCN(c3ccccc3Cl)C2=O)c1,[*]N1CCN([*])C1=O,0.34323624,False
23638,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc([N+](=O)[O-])n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8704458,False
23639,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccnc(Cc2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84664553,False
23640,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1csc(-c2ccc(O)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8975736,False
23641,O=C1CC(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c2ccccc2-c2ccccc21,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36251727,False
23642,O=C1N(CC2CCC3CCCCCN32)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.50068545,False
23643,O=CCc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4887778,False
23644,CC(C)c1cccc(CNCN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3776668,False
23645,CC(CN1CCN(c2ccc3c(c2)Cc2ccccc2-3)C1=O)N1CCCCC1,[*]N1CCN([*])C1=O,0.39251295,False
23646,CC1CC(C)(C)CC12CCCCN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.69366366,False
23647,CC1CCCC(CN2CCN(c3cccc(Cl)c3)C2=O)N1,[*]N1CCN([*])C1=O,0.66416264,False
23648,CCc1cccc2c1OCC(N(Cc1cccc(C(F)(F)F)c1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.45292103,False
23649,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(F)c3)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44433132,False
23650,N#Cc1ccc2c(c1)CN(CCN1CCN(c3ccsc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.7043074,False
23651,O=C(NCC=CCN1CCN(c2ccc(CCc3ccc(O)cc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42278072,False
23652,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cc(OCCF)ccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92252725,False
23653,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)NCc1ccc(O)cc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9073725,False
23654,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(CNC(=O)c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8320619,False
23655,O=C(NCCN1CCN(c2ccccc2)CC1)c1cc(Br)c2ccccc2c1[N+](=O)[O-],[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7492352,False
23656,O=C1N(CC2CC(CO)CN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5217895,False
23657,O=C1N(CCN2C3CCCC2CNCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7616602,False
23658,O=C1N(CCN2CCC(OC(F)(F)F)CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.8193993,False
23659,O=C1N(CN2CCCC(c3cccc(Cl)c3)C2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.49156746,False
23660,CC(C)N1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.17947865,False
23661,CC1CCNCC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.63324535,False
23662,CCCCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18242966,False
23663,CCN1CCCC1CNC(=O)c1c(OC)ccc(S(C)=O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.89638776,False
23664,CCOc1c(C)ccc(C)c1C(=O)NCC1CCCN1F,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.1368581,False
23665,CCc1ccc(CC)c(C(=O)NCC2CCCN2C)c1OSC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20744489,False
23666,CCc1ccc(OC)c(C(=O)NCC2CCCN2OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24905282,False
23667,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)C1CCC2CC(C1)C2(C)C,[*]N1CCN([*])C1=O,0.7520898,False
23668,COc1c(C)ccc(SC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19049835,False
23669,COc1ccc2c(c1)Cc1ccccc1-c1ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4449312,False
23670,COc1ccc2nc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37887865,False
23671,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32845652,False
23672,Cc1ccc(N2CCN(CCN3CCNCC3C)C2=O)cc1,[*]N1CCN([*])C1=O,0.44001997,False
23673,N#CC1CCCC(N2CCN(Cc3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.35639215,False
23674,N#Cc1cc(N2CCN(C3CCCNC3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.29110542,False
23675,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ncccc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88299835,False
23676,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1sccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9448506,False
23677,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cscc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81412524,False
23678,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(F)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9439061,False
23679,O=C1N(c2ccc(Cl)c(Cl)c2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.2482875,False
23680,C#Cc1cccc(N2CCN(Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.402402,False
23681,CC(CN1CCN(c2ccc(F)c(Cl)c2)C1=O)N1CCc2ccccc21,[*]N1CCN([*])C1=O,0.3386251,False
23682,CCCCN(c1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.503296,False
23683,CCCCN(c1ccccc1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54554254,False
23684,CCCN(CC(=O)c1ccc[nH]1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.36855763,False
23685,CCCN(CC(C)C)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6246007,False
23686,CCCc1cccc2c1OCC(N(CCC)Oc1cccc(OC)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6310409,False
23687,CCc1cccc2c1OCC(N(CO)Cc1ccco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.31697342,False
23688,CN1CCCC(N2CCN(c3ccc4sccc4c3)C2=O)C1,[*]N1CCN([*])C1=O,0.27389255,False
23689,CNc1cccc(C)c1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.5674784,False
23690,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(CF)c3ccccc3c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94968176,False
23691,Cc1cc(Cl)ccc1N1CCN(CCN2CCCCCC2)C1=O,[*]N1CCN([*])C1=O,0.59375024,False
23692,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2Cl)CC1)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54435796,False
23693,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccncc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9492292,False
23694,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc2ccsc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7824943,False
23695,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc(-c2ccccc2)cs1,[*]N1CCN([*])C1=O,0.86790174,False
23696,O=C1N(Cc2ccc3c(c2)Cc2ccccc2S3)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.30235732,False
23697,O=C1N(c2ccc(F)cc2)CCN1C1CCCCCN1CCc1ccccc1,[*]N1CCN([*])C1=O,0.38301206,False
23698,CC(C)N1CCN(CCN2CCN(c3cccc(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8328592,False
23699,CC(C)c1cccc(N2CCN(c3cccnc3)C2=O)c1,[*]N1CCN([*])C1=O,0.12902263,False
23700,CC1CC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.3783714,False
23701,CN(Cc1cc2ccccc2s1)CN1CCN(c2cc(F)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.36848894,False
23702,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc([N+](C)=O)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3943311,False
23703,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2cccc3c2-c2ccccc2C3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5645608,False
23704,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.909821,False
23705,COc1ccc(N2CCN(CC=CCNC(=O)c3cc(Cl)ccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45399442,False
23706,COc1ccccc1C(=O)NCC=CCN1CCN(Cc2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35077935,False
23707,O=C(NCC=CCN1CCN(c2ccc(Oc3ccc(Cl)cc3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4641947,False
23708,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1CF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8593408,False
23709,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1nccc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83315223,False
23710,O=C(NCc1ccc2ccccc2c1)N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.17810038,False
23711,O=C1N(CC2CCCCc3ccccc32)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.63490397,False
23712,O=C1N(CC2CCN(CC(F)(F)F)CC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.6607449,False
23713,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.64887995,False
23714,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccccc1C(F)(F)F,[*]N1CCN([*])C1=O,0.8362156,False
23715,O=C1N(CNCC2CCCCC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.18548582,False
23716,CCCCN(CC)C1COc2c(cccc2-c2c[nH]c3ccccc23)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4592301,False
23717,CCCc1ccc(C)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.72164536,False
23718,CCN1CCCC1CN1CCCC1CNC(=O)c1c(C)ccc(O)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.601962,False
23719,CCOc1c(C)ccc(S)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15410882,False
23720,CCOc1ccc(O)c(C(=O)NCC2CCCN2C)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23307906,False
23721,CN1Cc2ccccc2C1N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.52806294,False
23722,COc1c(C(=O)NCCN2CCN(c3cccc4c3OCO4)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8888742,False
23723,COc1ccccc1N1CCN(CC=CCNC(=O)NCc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8186291,False
23724,N#Cc1cccc(N2CCN(CCNCC3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.3599084,False
23725,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1cc(Cl)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4900922,False
23726,O=C(NCC=CCN1CCN(c2ccccc2-n2ccnc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8175854,False
23727,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCF)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88549966,False
23728,O=C(c1ccccc1)c1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41963503,False
23729,O=C1N(CCCN2Cc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8730739,False
23730,O=C1N(CCN2CCCCC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.7149567,False
23731,O=C1N(CCN2CCc3ccc(F)cc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.81608474,False
23732,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1cccs1,[*]N1CCN([*])C1=O,0.6882398,False
23733,CC1(C)CCC2CC(C)(CN2CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.81417674,False
23734,CCCN(C(=O)CC)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45440724,False
23735,CCCN(CC1CCCC1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.64571357,False
23736,CCCN(CO)C1COc2c(cccc2C2CCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.60747033,False
23737,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC12CCC(CC1(C)C)C2,[*]N1CCN([*])C1=O,0.83045137,False
23738,CN1CCCCCC1N1CCN(C2CCOC2)C1=O,[*]N1CCN([*])C1=O,0.23080102,False
23739,COc1ccc(-c2cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c[nH]2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82822925,False
23740,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9114863,False
23741,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50520456,False
23742,COc1ccc2c(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c[nH]c(=O)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41136432,False
23743,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.98888683,False
23744,N#Cc1c(C(=O)NCCN2CCN(c3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.78103226,False
23745,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(Cl)cc3)s2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4882838,False
23746,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54341114,False
23747,O=C(NCC=CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6387102,False
23748,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc2ccccc12,[*]N1CCN([*])C1=O,0.5724856,False
23749,O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.365175,False
23750,CCCc1cccc2c1OCC(N(CC)CC(C)(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.67183137,False
23751,CCOc1c(C)ccc(C)c1C(=O)NCC1CCCN1C(C)=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16076165,False
23752,CCOc1c(C)ccc(OC)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17842332,False
23753,CCc1ccc(C)c(C(=O)NCC2CCCN2Br)c1OBr,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.14994146,False
23754,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(C[O-])cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3398329,False
23755,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(Cl)c2[N+](=O)[O-])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.36060154,False
23756,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(OCCF)cc3)CC2)cc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34258577,False
23757,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2N(C)C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7386194,False
23758,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(OCc3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94937664,False
23759,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2-c2ncccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7457405,False
23760,Nc1cccc(C(=O)NCC=CCN2CCN(c3cccnc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5051336,False
23761,O=C(NCC=CCN1CCN(Nc2ccccc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31184873,False
23762,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(F)cc3)nc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4435276,False
23763,O=C(NCC=CCN1CCN(c2cccc(-c3ccc(O)cc3)n2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5070414,False
23764,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1sccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.9149314,False
23765,O=C(NCC=CCN1CCN(c2ccccc2-c2cccc(F)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78729296,False
23766,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2cccc(Cl)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8206908,False
23767,O=C1N(c2ccccc2Cl)CCN1C1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.32384744,False
23768,CC(C)c1cccc(N2CCN(CCN3CCc4ncccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6503727,False
23769,CC1(C)CC2CCC1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.79528016,False
23770,CCN1CCCC1CNC(=O)c1c(O)ccc(F)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8584572,False
23771,CCc1cccc2c1OCC(N(Cc1cccc(OC)c1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4000106,False
23772,CN(C)CN1CCN(CCN2CCCCCC2)C1=O,[*]N1CCN([*])C1=O,0.5427228,False
23773,COOc1c(C)ccc(C)c1C(=O)NCC1CCCN1SC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.17896405,False
23774,COc1c(C(=O)NCCN2CCN(c3ccccc3[N+](N)=O)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8350187,False
23775,COc1ccc(Br)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93623775,False
23776,COc1ccc(N)cc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8032314,False
23777,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(F)cn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43702692,False
23778,Cc1cccc(N2CCN(CCNCC34CCC(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.48897332,False
23779,O=C(NCC=CCN1CCN(C2c3ccccc3-c3ccccc32)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38268355,False
23780,O=C(NCC=CCN1CCN(c2cc3cc(O)ccc3o2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42322937,False
23781,O=C(NN1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1)c1cccc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.25774118,False
23782,C=C(CN(CC)C1COc2c(CCC)cccc2C1)c1ccccc1,[*]CN([*])C1COc2c([*])cccc2C1,0.47920102,False
23783,CC(C)N1CCN(CCN2CCN(c3ccc(C#N)c(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7791829,False
23784,CC(c1ccccc1)N1CCC(CN2CCN(c3cc(F)cc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.38650316,False
23785,CC(c1ccccc1)N1CCN(CCNCC2CCCCC2)C1=O,[*]N1CCN([*])C1=O,0.2454252,False
23786,CCCN(CCC)C1COc2c(cccc2C(=O)c2cc3ccccc3o2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56336594,False
23787,CCCc1cccc2c1OCC(N(CCC)C(C)(C)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6321164,False
23788,CN(CCN1CCN(c2ccccc2)C1=O)Cc1cc2cccccc-2c1,[*]N1CCN([*])C1=O,0.5994873,False
23789,CN(Cc1ccccc1Cl)CN1CCN(C2COOC2)C1=O,[*]N1CCN([*])C1=O,0.32166907,False
23790,COc1ccc2c(c1)Cc1ccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93514955,False
23791,COc1cccc(N2CCN(CC3CCCCN(C)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.4603942,False
23792,N#Cc1cc(N2CCN(CCN3CCc4sccc4C3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.61292547,False
23793,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(Br)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83154136,False
23794,O=C1N(CC(=O)N2CCc3ccccc32)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.14260368,False
23795,O=C1N(CCN2CCCC(C(F)(F)F)CC2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.6850595,False
23796,O=C1N(COCc2cccc(Cl)c2)CCN1CC1CCCc2ccccc21,[*]N1CCN([*])C1=O,0.5499453,False
23797,O=C1N(c2cccc(Cl)c2)CCN1C1Cc2ccccc2CC2CCC1CC2,[*]N1CCN([*])C1=O,0.46161935,False
23798,CC1(C)CCCC(CN2CCN(c3cccc(Cl)c3)C2=O)N1,[*]N1CCN([*])C1=O,0.6474711,False
23799,CC1(C)CN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC(C)(C)C1,[*]N1CCN([*])C1=O,0.77282465,False
23800,CCCN(CCC)C1COc2c(cccc2Cn2ccc(C(F)(F)F)cc2=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5871934,False
23801,CCCc1cccc2c1OCC(N(CO)C(=O)c1ccco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.31564656,False
23802,CCN(C(C)C)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4446398,False
23803,CCN(CCC(C)C)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48328117,False
23804,CCN1CCCCCC1N1CCN(Cc2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.19355384,False
23805,CCc1ccc(CC)c(C(=O)NCC2CCCN2O)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.16907261,False
23806,COCC12CCC(CC1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.8142834,False
23807,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9353895,False
23808,N#Cc1ccccc1N1CCN(CCN2CCCCCC2)C1=O,[*]N1CCN([*])C1=O,0.7104349,False
23809,Nc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81905425,False
23810,O=C(NCC=CCN1CCN(c2ccc(-c3c[nH]c(O)c3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41080678,False
23811,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(F)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9749671,False
23812,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(C(=O)c2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93692344,False
23813,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Oc2cccnc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.882407,False
23814,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2ccccc2cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8968723,False
23815,CC(CN1CCN(c2cccc(C#N)c2)C1=O)N1CCC(C(F)(F)F)CC1,[*]N1CCN([*])C1=O,0.46235353,False
23816,CCCC1CCC(c2cccc3c2OCC(N(CO)CCC)C3)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62216246,False
23817,CCCc1cccc2c1OCC(N(CCC)c1ccc(O)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6059455,False
23818,CCN(Cc1ccccc1OC)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49775591,False
23819,COc1ccc(C(=O)N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.26879746,False
23820,COc1ccc(N)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9096471,False
23821,COc1ccc2occ(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44376507,False
23822,COc1cccc(CN2CCCCC2CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.5439911,False
23823,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3cc(OCCF)ccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41650137,False
23824,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(O)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93647254,False
23825,N#Cc1cccc(N2CCN(CCN3C4CCCCC3CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.6055705,False
23826,O=C(NCC=CCN1CCN(CCOc2ccc(F)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40748549,False
23827,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2cccc(Cl)c2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9101577,False
23828,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2ccoc2c1,[*]N1CCN([*])C1=O,0.8665702,False
23829,C=CCN(CCC)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7354176,False
23830,CC1Cc2ccccc2N1CCN1CCN(c2ccc(C(C)(C)C)cc2)C1=O,[*]N1CCN([*])C1=O,0.5147619,False
23831,CCCCN(CCC)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6016392,False
23832,CCCCN(OC(=O)c1ccsc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.34489346,False
23833,CCCN(CCC)C1COc2c(cccc2-c2cc(C(F)(F)F)co2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7240759,False
23834,CCCN(CCCNC(C)=O)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5755969,False
23835,CCCc1cccc2c1OCC(N(CCC)Cc1ccco1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.50330234,False
23836,CCN1CCCC1CNC(=O)c1c(SC)ccc(SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8409425,False
23837,CN(Cc1cc2ccccc2s1)CN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.38981247,False
23838,COc1c(OCCF)cccc1C(=O)NCC=CCN1CCN(c2ccc(Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4734142,False
23839,COc1cccc(-c2csc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36364993,False
23840,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(O)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43609992,False
23841,O=C(NCC=CCN1CCN(c2ccc(-c3cc[nH]n3)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4570998,False
23842,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc(Cl)ccc1CO,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8058978,False
23843,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2cc(O)ccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7814225,False
23844,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2cc[nH]c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8086019,False
23845,O=C1N(CC2CCCCN2)CCN1c1ccccc1C(F)(F)F,[*]N1CCN([*])C1=O,0.42479914,False
23846,CC(NCCN1CCN(c2cccc(Cl)c2)C1=O)c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.5096944,False
23847,CC1CCN(Cc2cccc(N3CCN(c4cccc(F)c4)C3=O)c2)CC1,[*]N1CCN([*])C1=O,0.65818655,False
23848,CCCN(CC(C)=O)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43059233,False
23849,CCCN1CCCC1CNC(=O)c1c(CC)ccc(C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.45495087,False
23850,CCNC(=O)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92296875,False
23851,COCC1CC(N2CCN(c3cccc(Cl)c3)C2=O)Cc2ccccc21,[*]N1CCN([*])C1=O,0.60036165,False
23852,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(Cl)n2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4061147,False
23853,COc1ccc(C)c(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22355635,False
23854,COc1cccc(N2CCN(CCNC(C)c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.35715702,False
23855,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3cc(O)ccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9629092,False
23856,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3c(O)ccnc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8058786,False
23857,N#Cc1ccc2c(c1)CN(CCN1CCN(c3cccc(C(F)(F)F)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.80138505,False
23858,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93596697,True
23859,O=C(NCC=CCN1CCN(c2cccc(O)n2)CC1)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4878818,False
23860,O=C1N(CC2CCCOC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.39937696,False
23861,O=C1N(CC2Cc3ccsc3CN2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.48751193,False
23862,CCCN(CCC)C1COc2c(CCCN3C(=O)c4ccccc4C3=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52790976,False
23863,CCCOc1c(C)ccc(C)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6816786,False
23864,CCN1CC2CCC1CC(CN1CCN(c3cccc(Cl)c3)C1=O)C2(C)C,[*]N1CCN([*])C1=O,0.50777334,False
23865,CCN1CCN(CCN2CCN(C(C)C)c3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5498528,False
23866,CCc1cccc2c1OCC(N(CO)C(C)(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3920901,False
23867,CN1CCCCC1CN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.64493054,False
23868,Cc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)c(-c2ccccc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5883825,False
23869,Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c(C)n1,[*]N1CCN([*])C1=O,0.8531051,False
23870,Cc1cccc(C2CCCCC2N2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.237718,False
23871,Cc1cccc(CN2CCN(C3CCNCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.35834393,False
23872,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)[nH]2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40887883,False
23873,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccccc2Br)cs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8738487,False
23874,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1coc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81900316,False
23875,O=C1N(CCN2CCCCCC2)CCN1c1cccc(CO)c1,[*]N1CCN([*])C1=O,0.75708085,False
23876,O=C1N(CCN2CCc3sccc3C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.64957577,False
23877,O=C1N(CCN2Cc3ccccc3C2)CCN1c1csc(Cl)c1,[*]N1CCN([*])C1=O,0.81288457,False
23878,C#CC1CCN(CCN2CCN(c3ccc(F)c(Cl)c3)C2=O)CCN1,[*]N1CCN([*])C1=O,0.8274436,False
23879,CC(=O)CN(C(C)C)C1COc2c(CCN3CCCCC3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4132466,False
23880,CC12CC(C(C)(C)C1)C(C)(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.5597952,False
23881,CCCc1cccc2c1OCC(N(CCC)c1csc(C(C)=O)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.39251658,False
23882,CCCc1cccc2c1OCC(N(CO)CC1CCC3(CCCC3)C(=O)N1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.32931516,False
23883,CCN1CCN(CCN2CCc3sccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5541616,False
23884,CN1CCCCC1COCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.36990222,False
23885,Cc1cccc(C(C)NCCN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.5094582,False
23886,Cc1ccccc1CN1CCCCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.34362718,False
23887,N#Cc1cccc(N2CCN(CNCC3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.2993917,False
23888,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.12133736,False
23889,O=C(NCC=CCN1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.16484442,False
23890,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2)cc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9090074,False
23891,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(O)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9579939,False
23892,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccccc2c1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9234361,False
23893,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc2cccnc2s1,[*]N1CCN([*])C1=O,0.80757654,False
23894,O=C1N(Cc2ccccn2)CCN1Cc1ccccc1F,[*]N1CCN([*])C1=O,0.26544002,False
23895,CC1(CCN2CCN(c3ccccc3)C2=O)CCNC1,[*]N1CCN([*])C1=O,0.5029159,False
23896,CCCCN(CC)C1COc2c(Cc3ccoc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57093227,False
23897,CCCN(CO)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5270978,False
23898,CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.26656097,False
23899,CCc1cccc2c1OCC(N(CC(C)C)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4788713,False
23900,CN1CCN(CCN2CCN(C3COCCN3)C2=O)CC1,[*]N1CCN([*])C1=O,0.37268338,False
23901,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc(Cl)c(C)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.37462616,False
23902,COc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3C#Cc3ccccc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78271383,False
23903,Cc1cccc(C(=O)NCC=CCN2CCN(c3cccc([N+](=O)[O-])c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32194364,False
23904,N#CC1CCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.8952931,False
23905,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2OCCF)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.57191515,False
23906,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ncccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9091564,False
23907,O=C1N(CC(=O)N2c3ccccc3CC2CO)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.365002,False
23908,O=C1N(CC23CCNCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.62665373,False
23909,O=C1N(CC2CCCCC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.34061825,False
23910,O=C1N(CCN2CCN(c3ccccc3)CC2)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.66937596,False
23911,O=C1N(c2cccs2)CCN1C1CCC(c2ccccn2)CC1,[*]N1CCN([*])C1=O,0.19338937,False
23912,CCc1ccc(N2CCN(c3cccc(OC)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.2914075,False
23913,CN(Cc1ccc2ccccc2c1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.46519408,False
23914,CNc1ccc(N2CCN(CC=CCNC(=O)c3cccc(OCCF)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3585525,False
23915,CNc1ccccc1-c1c(C(=O)NCCN2CCN(OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.38876295,False
23916,COc1c(O)cccc1N1CCN(CC=CCNC(=O)c2cccc(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6390645,False
23917,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)s2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8852709,False
23918,COc1ccc(N2CCN(CC3CCCCN3)C2=O)cc1,[*]N1CCN([*])C1=O,0.42411718,False
23919,COc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c(C)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.81131434,False
23920,COc1cccc(OC)c1N1CCN(CC=CCNC(=O)c2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35957986,False
23921,Cc1ccc(CN2CCN(C3CCCOC3)C2=O)o1,[*]N1CCN([*])C1=O,0.25334412,False
23922,Cc1cccc(-c2c(C(=O)NCCN3CCN([O-])CC3)cc(Br)c3ccccc23)c1C,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.34129807,False
23923,O=C(CN1CCN(CCN2Cc3ccccc3C2)C1=O)c1ccccc1,[*]N1CCN([*])C1=O,0.5577205,False
23924,O=C(NCC=CCN1CCN(C2=CC=C3C=CC=C(C=C3)N=C2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42644262,False
23925,O=C(NCC=CCN1CCN(c2ccc([N+](=O)O)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43972033,False
23926,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1cccc(-c2ccc(Br)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45799795,False
23927,O=C(NCC=CCN1CCN(c2cccs2)CC1)c1ccc(-c2cccnc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4274108,False
23928,CC(CN1CCN(c2cc(Cl)ccc2F)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.36310077,False
23929,CC1(C)C2CCC1(CNCCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.67955184,False
23930,CCCN(CN)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.647678,False
23931,CCCN(Cc1ccccc1C(C)=O)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49682355,False
23932,COc1ccc(Oc2cccc(N3CCN(CC=CCNC(=O)c4ccccc4OC)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40635902,False
23933,COc1cccc(CN2CCN(CCOCc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.4160527,False
23934,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc3ccccc3oc2=O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5085495,False
23935,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(C)c2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66586924,False
23936,Cc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9040209,False
23937,N#Cc1ccccc1CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.90712494,False
23938,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46751437,False
23939,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc(Cl)co1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7359176,False
23940,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc2sccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9121974,False
23941,O=C1N(CCN2CCCc3ccsc3C2)CCN1Cc1ccc(F)cc1,[*]N1CCN([*])C1=O,0.6104509,False
23942,O=C1N(c2ccc3c(c2)C2NCCCC2CCCC3)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.29797202,False
23943,O=C1N(c2cccc(Cl)c2)CCN1C1CC2CCC1Cc1ccccc1CNC2,[*]N1CCN([*])C1=O,0.45952234,False
23944,CC(C)N1CCN(CCN2CCN(c3cccc(Cl)c3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.7867732,False
23945,CC(C)N1Cc2ccccc2C(CN2CCN(c3ccc4c(c3)CCCC4)C2=O)C1,[*]N1CCN([*])C1=O,0.51250327,False
23946,CCOc1c(OC)ccc(CC2CCCC2)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2328612,False
23947,COc1c(C(=O)NCCN2CCN(c3cccc(C)c3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.95113283,True
23948,COc1c[nH]c2ccc(N3CCN(CC=CCNC(=O)c4ccccc4OCCF)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3596715,False
23949,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(F)nc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49986717,False
23950,COc1ccccc1N1CCN(CC=CCNC(=O)NC(=O)c2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8053115,False
23951,Cc1c(CNCCN2CCN(c3ccc(Cl)cc3)C2=O)sc2ccccc12,[*]N1CCN([*])C1=O,0.3714077,False
23952,Cc1nc2ccc(N3CCN(c4ccccc4Cl)C3=O)cc2s1,[*]N1CCN([*])C1=O,0.091718465,False
23953,Nc1cc(Br)ccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8328879,False
23954,O=C1N(C#CCN2Cc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5413236,False
23955,O=C1N(CCN2CC3CCCC(CCC3)C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.71597886,False
23956,O=C1N(CCN2CCC(Cc3cccc(Cl)c3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.83483016,False
23957,O=C1N(CCN2CCN(Cc3ccccc3)CC2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.7775703,False
23958,O=C1N(c2ccc(Cl)cc2)CCN1C1CCCc2sccc2C1,[*]N1CCN([*])C1=O,0.30302235,False
23959,CC(C)Oc1ccccc1N1CCN(Cc2ccc3ccccc3c2)C1=O,[*]N1CCN([*])C1=O,0.2552992,False
23960,CCCCCc1ccc(CC)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8120535,False
23961,CCCCN1CCCC1CNC(=O)c1c(COC)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.49946287,False
23962,CCCN(Cc1ccccc1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.719218,False
23963,CCN(CC(C)C)C1COc2c(cccc2-c2ccc(O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51614255,False
23964,CCN1CCCC1CNC(=O)c1c(C)ccc(O)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8126203,False
23965,COc1ccccc1C(=O)NCC=CCN1CCN(c2nc3ccc(Cl)cc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39540207,False
23966,Cc1cc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3OCCF)CC2)[nH]c1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30804056,False
23967,Cc1ccc(-c2cccc(F)c2)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86512685,False
23968,Cc1cccc(N2CCN(c3cccc(OC(C)C)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.10513554,False
23969,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3F)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44034433,False
23970,O=C(NCC=CCN1CCN(c2cccc(F)c2)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5511009,False
23971,O=C(NCC=CCN1CCN(c2ccccc2O)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7864826,False
23972,O=C1N(CCN2COCC3CCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6004683,False
23973,O=C1N(CCOC2CCCNC2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.48979002,False
23974,O=C1N(c2ccc(F)cc2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.27867535,False
23975,CC1(C)c2ccccc2CCCN1CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.5643443,False
23976,CC1(CNCN2CCN(c3cccc(Cl)c3)C2=O)CCCCC1,[*]N1CCN([*])C1=O,0.40342286,False
23977,CCC(C)NC1CCc2ccc(N3CCN(c4cc(Cl)cc(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.43950734,False
23978,CCCCC1CC2Cc3ccccc3CC1N2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.71281147,False
23979,CCCN(CC(=O)c1cccc(C(F)(F)F)c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.36590615,False
23980,CCN1CCCCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4594838,False
23981,CN1CCCC(CN2CCN(c3cccc(Cl)c3)C2=O)C2CC21,[*]N1CCN([*])C1=O,0.6458124,False
23982,COc1ccccc1C(=O)NCC=CCN1CCN(c2c[nH]c3c(OC)cccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5819336,False
23983,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(-c3cccs3)ccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5539815,False
23984,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c(-c2ccccc2O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8187739,False
23985,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccsc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.98791045,True
23986,O=C1N(C2CNOC2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.24451481,False
23987,O=C1N(CCN2C3CCC(CC3)C2c2ccccc2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.47712123,False
23988,O=C1N(CCN2CCCCCC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.7293809,False
23989,O=C1N(CCNCc2ccc3ccccc3c2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.2543686,False
23990,O=Cc1ccc(F)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9227507,False
23991,CC(C)N1CCN(CCN2CCN(C3CCCCC3)C2=O)CC1,[*]N1CCN([*])C1=O,0.53532046,False
23992,CCCCN(C1CCC(C)CC1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4591808,False
23993,CCCN(CC(=O)c1ccc(C)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.33974227,False
23994,CCCOc1c(Cl)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27389532,False
23995,CCCc1cccc2c1OCC(N(CF)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6302069,False
23996,CCN1CCCC1CNC(=O)c1c(Cl)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.92524266,True
23997,CCOc1c(CC)ccc(SO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.22447428,False
23998,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71077687,False
23999,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccn[nH]3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9198905,False
24000,Cc1c(-c2cccc(O)c2)cccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6615668,False
24001,Cc1cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.82973295,False
24002,N#CCN1CCCC(COc2cccc(N3CCN(c4cccc(Cl)c4)C3=O)c2)C1,[*]N1CCN([*])C1=O,0.5436391,False
24003,O=C(NCC=CCN1CCN(c2ccc3c[nH]nc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36636528,False
24004,O=C1N(CCN2C3CCCCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.83640885,False
24005,O=C1N(CCN2CC3CCC(CC3)C2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.7305252,False
24006,CC(C)Oc1cccc(N2CCN(CCCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.72452503,False
24007,CC1(N2CCN(c3cccc(Cl)c3)C2=O)CCNCC1,[*]N1CCN([*])C1=O,0.34723496,False
24008,CCOc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7211295,False
24009,CCc1cccc2c1OCC(N(CC(F)(F)CF)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.51041764,False
24010,CN(Cc1ccccn1)CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.2582843,False
24011,COc1cc(OCCF)ccc1N1CCN(CC=CCNC(=O)c2cccc(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56169593,False
24012,COc1ccc2oc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9177905,False
24013,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(C)c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9025838,False
24014,Cc1c[nH]c(N2CCN(CC=CCNC(=O)c3ccc(F)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.300109,False
24015,Cc1csc(N2CCN(CCN3Cc4ccccc4C3)C2=O)n1,[*]N1CCN([*])C1=O,0.7884717,False
24016,O=C(NCC=CCN1CCN(c2cc(Cl)ccc2Cl)CC1)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5829347,False
24017,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccc(Oc2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41979638,False
24018,O=C(NCC=CCN1CCN(c2ccccc2CO)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73044324,False
24019,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(F)cc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9116784,False
24020,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(-c2ccccc2)c1,[*]N1CCN([*])C1=O,0.744563,False
24021,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.84865975,False
24022,CCCN(C(=O)OC)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.31709448,False
24023,CCCN(C(C)=O)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39452195,False
24024,CCCN(CCC)C1COc2c(cccc2C(C)(C)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7941542,False
24025,CCCN1CC(CN2CCN(c3cccc(Cl)c3)C2=O)CC2CCC1CC2,[*]N1CCN([*])C1=O,0.69676447,False
24026,CCCc1cccc2c1OCC(N(CC)Cc1c[nH]c3ccccc13)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5609957,False
24027,CCN1CCCC1CNC(=O)c1c(OC)ccc([SH](C)(C)=O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8666168,False
24028,COc1ccc([N+](=O)[O-])cc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52318656,False
24029,N#CC1CCC(CN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)c2ccccc21,[*]N1CCN([*])C1=O,0.41230878,False
24030,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1c(Cl)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49741864,False
24031,O=C1N(CCN2CCCC3Cc4ccccc4CC3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.66427106,False
24032,O=C1N(CNCc2cccc3ccccc23)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.1893486,False
24033,O=C1N(Cc2ccc(F)cc2)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.3460964,False
24034,O=C1N(Cc2ccc3c(c2)CCNCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.44526634,False
24035,O=C1N(Cc2ccccc2)CCN1C1COCCN1,[*]N1CCN([*])C1=O,0.33863342,False
24036,O=C1N(c2cccc(Cl)c2)CCN1C1CCCC(OCc2ccccc2)C1,[*]N1CCN([*])C1=O,0.577332,False
24037,CC(C)Oc1ccccc1N1CCN(CC2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.34118375,False
24038,CCCCN(O)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45591816,False
24039,CCCCN(OC(=O)c1ccoc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37599614,False
24040,CCOc1ccccc1C(=O)NCC=CCN1CCN(c2cc3cc(OC)ccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34838387,False
24041,CNN1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.42325354,False
24042,COCC1C2CCC1CCN(CCN1CCN(c3ccccc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.6913481,False
24043,COc1cc(OC)c(OC)c(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95228624,False
24044,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(Cl)cc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52870816,False
24045,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3ccccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40095794,False
24046,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)Cc2ccccoc(cc2)CC3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78798795,False
24047,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1ccccc1Cl,[*]N1CCN([*])C1=O,0.11655679,False
24048,O=C(NCC=CCN1CCN(c2ccc3c(O)c[nH]c3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.403327,False
24049,O=C1N(CC2CCCCC2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.33359516,False
24050,O=C1N(CCN2C3CCCCC2CCC3)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.45630473,False
24051,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)CCCCC2,[*]N1CCN([*])C1=O,0.8288311,False
24052,O=C1N(Cc2ccccc2Cl)CCN1CC1CCCNC1,[*]N1CCN([*])C1=O,0.37520173,False
24053,CC(C)CN1CCN(c2cc(C#N)ccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.2638983,False
24054,CC(c1cccc(Cl)c1)N1CCN(CN2CCCC(C#Cc3ccccc3)C2)C1=O,[*]N1CCN([*])C1=O,0.43771774,False
24055,CCCN(CCC)C1COc2c(cccc2OC(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6187555,False
24056,CCCN1CCCC1CNC(=O)c1c(Cl)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5146158,False
24057,CCN(CCOC)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.49221212,False
24058,COCC1CCCN(CN2CCN(c3ccc(Cl)cc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.4108158,False
24059,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccc([N+](=O)OC)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.39715564,False
24060,COc1cc(Cl)ccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(C)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5492504,False
24061,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)oc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7707451,False
24062,Nc1cccc(N2CCN(CC=CCNC(=O)c3cccc(C(F)(F)F)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44997108,False
24063,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(Cl)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9618776,False
24064,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1NS(=O)(=O)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.535622,False
24065,O=C(NCC=CCN1CCN(c2ccccc2C(F)(F)F)CC1)c1cccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7659587,False
24066,O=C1N(c2cccnc2)CCN1c1cccn1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.21979699,False
24067,CC1(C)CC2(CN3CCN(c4cccc(Cl)c4)C3=O)CCC1(C)CC2,[*]N1CCN([*])C1=O,0.6060123,False
24068,CCCC1CN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC2CC1C2(C)C,[*]N1CCN([*])C1=O,0.8045683,False
24069,CCCN(C(C)C)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49398783,False
24070,CCCN(CC(O)c1ccoc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5425297,False
24071,CCOc1c(CCOC)ccc(Br)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.26396582,False
24072,CN1CCCCCC1CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.47442713,False
24073,COc1c(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)ccc2ccc(O)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5118568,False
24074,COc1cc([N+](=O)[O-])ccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8415948,False
24075,Cc1cccc(C(=O)NCC=CCN2CCN(c3ccc(-c4nccs4)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36103985,False
24076,O=C(NCC=CCN1CCN(c2ccc(-c3ccccc3)cc2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48760545,False
24077,O=C(NCC=CCN1CCN(c2ccc(-c3cnccn3)cc2)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4784523,False
24078,O=C(NCC=CCN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49866435,False
24079,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccc(F)nc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83832383,False
24080,CC(F)Oc1cccc(N2CCN(CCN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8301633,False
24081,CCC(C)CN(CC)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5728722,False
24082,CCCCN(C1COc2c(CC)cccc2C1)S(=O)(=O)[O-],[*]CN([*])C1COc2c([*])cccc2C1,0.45031077,False
24083,CCCN(CCC)C1COc2c(cccc2C(=O)c2coc(C(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6749001,False
24084,CCN(CC)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6083978,False
24085,CCN1C(=O)c2ccccc2Cc2ccc(N3CCN(c4cccc(OC(C)C)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.3104375,False
24086,CN1CCN(CCN2CCN(c3ccc(F)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.76790947,False
24087,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56683314,False
24088,COc1ccc(N2CCN(CC=CCNC(=O)c3ccc(F)cc3OC)CC2)cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.369684,False
24089,Cc1cccc(CN2CCN(c3ccc(F)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.3289872,False
24090,N#Cc1cccc(N2CCN(C3CCCNC3)C2=O)c1,[*]N1CCN([*])C1=O,0.41128644,False
24091,O=C(NCC=CCN1CCN(c2ccc(-c3ccsc3)cc2)CC1)c1c(Cl)cccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4575048,False
24092,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1csc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5311569,False
24093,O=C1N(CCN2CCCCCC2)CCN1C1CCCCCC1,[*]N1CCN([*])C1=O,0.5959339,False
24094,O=C1N(CNCC2CCCCN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.42053732,False
24095,O=C1N(Cc2ccc(Cl)c(Cl)c2)CCN1CC1CCCCN1,[*]N1CCN([*])C1=O,0.39331216,False
24096,O=C1N(c2ccccc2)CCN1C1CCNCC1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3185036,False
24097,CC1(C)CCNC(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.6604833,False
24098,CCCN(CCC)C1COc2c(cccc2C(=O)c2ccncc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.63702315,False
24099,CCCc1cccc2c1OCC(N(CO)C1CC(=O)c3ccoc3C1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.33118066,False
24100,CCN1CCCC1CNC(=O)c1c(C)ccc(O)c1OC(C)=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7415803,False
24101,CN(CCN1CCN(c2cccc(C#N)c2)C1=O)Cc1cccs1,[*]N1CCN([*])C1=O,0.71370536,False
24102,COc1ccc(C(=O)NCC=CCN2CCN(c3ccc(OC)cc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35422286,False
24103,Cc1ccc(C)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3966504,False
24104,Cc1cccc(-c2ccccc2N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72588193,False
24105,Cc1cccnc1-c1ccc(N2CCN(CC=CCNC(=O)c3c(Cl)cccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41065472,False
24106,N#Cc1cccc(C(F)CN2CCN(CCN3CCN(c4ccccc4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.6497299,False
24107,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4790116,False
24108,O=C1N(CC2NCCc3ccccc32)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.56614166,False
24109,O=C1N(CCN2CC3CCC(C3)C2c2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.72662956,False
24110,CCCCN(O)C1COc2c(cccc2C2CCNC(=O)C2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42833585,False
24111,CCCOC1CCCc2ccc(N3CCN(c4cccc(Cl)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.45583,False
24112,CCCc1cccc2c1OCC(N(CC)Cc1cc(OC)ccc1C(F)(F)F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.54756606,False
24113,CCOc1c(COC)ccc(Br)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2522272,False
24114,CCOc1c(Cl)ccc(SO)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.20232195,False
24115,CCc1cccc2c1OCC(N(COC(=O)c1ccc(C(F)(F)F)cc1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.21567994,False
24116,COc1cc(C)cc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48392862,False
24117,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(C=O)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9105148,False
24118,COc1ccnc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4F)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5516633,False
24119,Cc1ccc(N2CCN(COC(C)C3CCCCN3)C2=O)s1,[*]N1CCN([*])C1=O,0.3652485,False
24120,Nc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5546025,False
24121,O=C(NCC=CCN1CCN(c2ccc(-c3ncccn3)cc2)CC1)c1cccc(Cl)c1[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.4682331,False
24122,O=C1N(CCN2Cc3ccccc3C2)CCN1c1nc2ccccc2s1,[*]N1CCN([*])C1=O,0.85308236,False
24123,CC(CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O)NCc1ccccc1,[*]N1CCN([*])C1=O,0.2651065,False
24124,CC(CN1CCN(c2cccc3sccc23)C1=O)N1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.28787562,False
24125,CC1CN(C(C)CN2CCN(c3cccc(Cl)c3)C2=O)c2ccccc21,[*]N1CCN([*])C1=O,0.4803623,False
24126,CCN(C)c1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86168045,False
24127,CCc1ccc(C)c(OBr)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.13168488,False
24128,COc1ccc2ccc(N3CCN(CC=CCNC(=O)c4ccccc4O)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5189609,False
24129,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Br)c3ccccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89890754,False
24130,Cc1cccc(Cl)c1-c1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2823676,False
24131,NCCc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42504466,False
24132,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96491194,True
24133,O=C1N(CC2(O)CCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3961618,False
24134,O=C1N(CC23CCNCC(C2)C3Cc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.54140556,False
24135,O=C1N(CCN2C3CCC2CC3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5044851,False
24136,O=C1N(CN2Cc3ccccc3C2)CCN1C1CCOOC1,[*]N1CCN([*])C1=O,0.49497616,False
24137,O=C1N(COCc2cccc(Cl)c2)CCN1Cc1cccs1,[*]N1CCN([*])C1=O,0.31573063,False
24138,O=C1N(Cc2ccccc2)CCN1CC1CCCNC1,[*]N1CCN([*])C1=O,0.4220551,False
24139,CC(CCN1CCN(c2cccc(Cl)c2)C1=O)N(C)C,[*]N1CCN([*])C1=O,0.6991312,False
24140,CCCCN(CC)C1COc2c(cccc2-c2cccc(OC(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4310453,False
24141,CCCc1cccc2c1OCC(N(CC)CS(=O)(=O)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.47403544,False
24142,CCCc1cccc2c1OCC(N(CCC)C(=O)O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5026611,False
24143,CCOCN1CCN(CCN2CCN(C(C)c3cccc(F)c3)CC2)C1=O,[*]N1CCN([*])C1=O,0.5047309,False
24144,CCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OC=O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.65560335,False
24145,CCc1cccc2c1OCC(N(CO)CCc1cccs1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.44883132,False
24146,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6946166,False
24147,COc1cc(Cl)ccc1C(=O)NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45468828,False
24148,COc1cccc(CCN2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6979058,False
24149,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3nc(O)ccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4150442,False
24150,Nc1cccc(-c2ccc(N3CCN(CC=CCNC(=O)c4cccc(Cl)c4Cl)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4369672,False
24151,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccc(Br)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83130854,False
24152,O=C1N(CCN2CCCCCCC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.8111279,False
24153,CCCN(CC(=O)c1ccc2ccccc2c1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.36116752,False
24154,CCCc1ccc(Cl)c(C(=O)NCC2CCCN2C)c1OCC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.25222802,False
24155,CCc1ccccc1N1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.32731205,False
24156,COc1c(C(=O)NCCN2CCN(Cc3ccccc3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.32115683,False
24157,COc1c(C(=O)NCCN2CCN(c3ccc(S(C)(=O)=O)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8081249,False
24158,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(Cl)cc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6055885,False
24159,N#Cc1cc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)ccc1Cl,[*]N1CCN([*])C1=O,0.8188202,False
24160,O=C(NCC=CCN1CCN(c2cc(-c3ccc(Cl)cc3)c[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47204432,False
24161,O=C(NCC=CCN1CCN(c2cccc([N+](=O)[O-])c2)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4824899,False
24162,O=C1N(CCC2CCCCN2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.69714403,False
24163,O=C1N(CCN2CCCC(Cc3ccccc3)C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.66093886,False
24164,O=C1N(CCN2CCCCCC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.78860897,False
24165,O=C1N(CCN2CCN(Cc3ccccc3)CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.80934966,False
24166,CC(CN1CCN(CCN2Cc3ccccc3C2)C1=O)Oc1ccccc1,[*]N1CCN([*])C1=O,0.67341167,False
24167,CC1CCCCN(CCN2CCN(Cc3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.50243837,False
24168,CC1CCCCN1C(=O)N1CCN(Cc2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.120370984,False
24169,CCN(C)CCN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5054756,False
24170,CCN1CCCC1CNC(=O)c1c(C)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.92966026,False
24171,COc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1Oc1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8720552,False
24172,COc1cccc(N2CCN(C3CCCCN3Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.32785177,False
24173,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(C)cc(-c3ccccc3)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8363255,False
24174,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3ccc2-c2ccccc2C3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89608145,False
24175,Cc1ccc(CN2CCN(CC3CCCCN3)C2=O)cc1,[*]N1CCN([*])C1=O,0.27101997,False
24176,Cc1cccc(CN(C)CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.4921227,False
24177,O=C(CN1CCN(c2cccc(Cl)c2)C1=O)NCc1ccccn1,[*]N1CCN([*])C1=O,0.13589491,False
24178,O=C(NCC=CCN1CCN(c2cc(-c3ccc(F)cc3)c[nH]2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.458793,False
24179,O=C1N(CCN2CC3CCCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.81729585,False
24180,O=C1N(CCN2CCC(c3ccccc3)CC2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.7595162,False
24181,CC1(C)CC2CCC1(CNCN1CCN(c3ccccc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.43923762,False
24182,CC1CCCN(CCN2CCN(c3cccc(O)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.82371,False
24183,COc1cc(Br)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89928275,False
24184,COc1cc(OC)c(C(=O)NCC=CCN2CCN(c3ccc(Cl)cc3)CC2)cc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4235568,False
24185,COc1cccc(CN2CCN(c3cc(F)cc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.31015837,False
24186,COc1cccc(N2CCN(CC(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.39550564,False
24187,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(O)c(O)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44894373,False
24188,COc1ccccc1N1CCN(CCN(C)CC23CCCC(CC2)C3(C)C)C1=O,[*]N1CCN([*])C1=O,0.55351174,False
24189,N#Cc1ccc2c(c1)CCOCC2N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.41585195,False
24190,O=C(NCC=CCN1CCN(C2COc3ccc(O)cc3C2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34687907,False
24191,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccon2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92277575,False
24192,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1nccc(-c2ccccc2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88005364,False
24193,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c[nH]c(-c2ccccc2O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76845986,False
24194,O=C1N(CCN2C3CCCCC2CCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8190311,False
24195,O=C1N(CCN2CCC3(CCCCc4ccccc4C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.72334933,False
24196,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.85689634,False
24197,CC(C)N1CCN(CCN2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.620762,False
24198,CCCN(CCC)C1COc2c(CCc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8225245,False
24199,CCCc1cccc2c1OCC(N(CCC)C(=O)c1c[nH]cc1C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.35189205,False
24200,CCNCC1c2ccccc2CN1CN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.3214605,False
24201,CCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OSC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6700689,False
24202,COCC1(N2CCN(c3cccc(Cl)c3)C2=O)CCCCC1,[*]N1CCN([*])C1=O,0.405078,False
24203,COc1ccc2c(N3CCN(CC=CCNC(=O)c4ccccc4F)CC3)c[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46867466,False
24204,COc1cccc(-c2c(C(=O)NCCN3CCN([N+](=O)[O-])CC3)cc(Br)c3ccccc23)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.29678723,False
24205,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(C)ccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84416103,False
24206,Cc1cc(CN(C)CN2CCN(c3ccccc3)C2=O)on1,[*]N1CCN([*])C1=O,0.23427208,False
24207,Cc1ccc(N)c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83875316,False
24208,Cc1cccc(N2CCN(CCN3CCCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.9150842,False
24209,N#CC(F)c1cccc(N2CCN(CCN3CCNCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.6734575,False
24210,CCCCN(O)C1COc2c(CNC(C)=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.34344968,False
24211,CCCCc1ccc(OC)c(OC)c1C(=O)NCC1CCCN1O,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24779789,False
24212,CCCN(Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.65196264,False
24213,CCNCCOc1c(C)ccc(O)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19551435,False
24214,CCc1ccc(CC)c(C(=O)NCC2CCCN2C)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2371182,False
24215,COC(C)C1CCCN(CCN2CCN(Cc3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.5960716,False
24216,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(O)c(-c3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39802244,False
24217,Cc1ccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3Cl)CC2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39691472,False
24218,Cc1ccccc1-c1ccsc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34202883,False
24219,N#Cc1ccc(N2CCN(CN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.57319516,False
24220,O=C(NCC=CCN1CCN(c2ccc3cc(O)ccc3n2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41122577,False
24221,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-n2cccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.946974,False
24222,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89606166,False
24223,O=C1N(Cc2cc3ccccc3s2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.41110343,False
24224,C=Cc1cccc2c1OCC(N(CCCC)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.50157845,False
24225,CC12CCCCC(CC1)N(CCN1CCN(c3cccc(Cl)c3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.4100981,False
24226,CC1CCc2ccccc2N1CCN1CCN(Cc2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.515181,False
24227,CCCN(C(C)=O)C1COc2c(cccc2NC(=O)c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.21744487,False
24228,CCCN(Cc1cc2ccccc2s1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.59953225,False
24229,CCCN(c1ccc(C(C)(C)C)cc1)C1COc2c(cccc2C(C)C)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5734353,False
24230,CN(CCN1CCN(c2cccc(OC(F)(F)F)c2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.5866769,False
24231,COc1cccc(-c2ccccc2N2CCN(CC=CCNC(=O)c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67288864,False
24232,N#Cc1ccccc1CN1CCC(N2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6441631,False
24233,O=C(NCC=CCN1CCN(c2cccc3c(OCCF)cccc23)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6953317,False
24234,O=C(NCC=CCN1CCN(c2cnc3ccccc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41907793,False
24235,O=C1N(CCN2CCCC3CC3(Cc3ccccc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8690716,False
24236,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1ccc(F)cc1,[*]N1CCN([*])C1=O,0.71285826,False
24237,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(OCCF)c1,[*]N1CCN([*])C1=O,0.73191655,False
24238,O=C1N(CCN2CCc3occc3C2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.57648647,False
24239,C=CCOc1c(OC)ccc(CC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23904756,False
24240,CCCCN(c1ccc(C)cc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40314552,False
24241,CCCc1cccc2c1OCC(N(CCC)OCc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6833723,False
24242,CN(CCN1CCN(Cc2ccc(F)c(Cl)c2)C1=O)Cc1cccs1,[*]N1CCN([*])C1=O,0.4823005,False
24243,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C(=O)c2ccc(Cl)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.4987648,False
24244,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc([N+](=O)c4ccccc4)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40105736,False
24245,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc(C)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37353706,False
24246,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52585316,False
24247,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc([N+](=O)[O-])ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84396243,False
24248,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(O)cc2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95829815,False
24249,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccc3ccccc3c2ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9088236,False
24250,O=C1N(CCN2CCC3Cc4ccccc4CC(C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.75100726,False
24251,C#Cc1ccc(N2CCN(CC=CCNC(=O)c3ccc(Cl)cc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45831048,False
24252,C=Cc1cccc2c1OCC(N(CCC)CCc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.766562,False
24253,CC1C2CC(C)(C)CC12CN(C)CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.59053785,False
24254,CCCCN(CC)C1COc2c(cccc2-c2ccsc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39670604,False
24255,COc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38191584,False
24256,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(O)ccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.584288,False
24257,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3nccnc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3183258,False
24258,Cc1ccc(-c2sccc2C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80097544,False
24259,Cc1ccccc1N1CCN(CCN2Cc3ccccc3C2C)C1=O,[*]N1CCN([*])C1=O,0.5366331,False
24260,Cc1ccsc1CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.25402626,False
24261,NOc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4691442,False
24262,O=C(CCNC(=O)c1ccc(F)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7547831,False
24263,O=C(NCC=CCN1CCN(c2ccc(-c3ccc(F)cc3)[nH]2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4276885,False
24264,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51113904,False
24265,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5204456,False
24266,O=C(NCC=CCN1CCN(c2ccc3[nH]cc(O)c3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40559247,False
24267,O=C1N(CCN2C3CCCC2CCC3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.4577981,False
24268,CCCN(CC1CCCC1)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.65344316,False
24269,COc1c(C(=O)NCCN2CCN(c3cccc(C(C)=O)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8548372,False
24270,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4542943,False
24271,COc1ccc(N2CCN(CC=CCNC(=O)c3ccccc3OCCF)CC2)cc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36952573,False
24272,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccc(Cl)cc4)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43333155,False
24273,Cc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1-c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84076804,False
24274,Cc1cccc(N2CCN(c3cccc(C4CCCNC4)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.23017964,False
24275,Cc1csc(CN(C)CN2CCN(c3cccc(Cl)c3)C2=O)n1,[*]N1CCN([*])C1=O,0.42234042,False
24276,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(Br)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83488214,False
24277,O=C(NCC=CCN1CCN(c2coc3ccccc23)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48143274,False
24278,O=C1N(CCN2CCc3sccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.66558313,False
24279,O=C1N(c2cccc(Cl)c2)CCN1C1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.49747378,False
24280,CC1(C)CCCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.6688601,False
24281,CC1CCCCN(CCN2CCN(c3ccc(Cl)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.6307929,False
24282,CCCc1ccc(OC)c(C(=O)NCC2CCCN2O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.21332663,False
24283,COc1c(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc(Br)c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8996728,False
24284,COc1cccc(C(C)N2CCN(CNCC3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.33605513,False
24285,COc1cccc(N2CCN(CCN(C)CC34CCC(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.82858014,False
24286,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C)c(-c3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8881824,False
24287,Cc1ncc(CNCN2CCN(Cc3ccccc3)C2=O)s1,[*]N1CCN([*])C1=O,0.19339304,False
24288,O=C(NCC=CCN1CCN(c2ccc(Cc3ccccn3)cc2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5063851,False
24289,O=C1N(CCN2CCCCc3sccc32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.42147768,False
24290,O=C1N(CCOC(F)(F)F)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.8268197,False
24291,O=C1N(CCOc2cccc(Cl)c2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5271614,False
24292,CC1CCCCCCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7291627,False
24293,CCCCN(CCC)C1COc2c(cccc2C(=O)c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6162407,False
24294,CCCc1cccc2c1OCC(N(O)CCC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.62616926,False
24295,COCC1CC2CC(CC1CN1CCN(c3cccc(Cl)c3)C1=O)N(C)C2,[*]N1CCN([*])C1=O,0.65072054,False
24296,COCC1CCC(N2CCN(c3ccc(Cl)c(Cl)c3)C2=O)N1,[*]N1CCN([*])C1=O,0.33069897,False
24297,COCCN1CCN(CCN2CCCC(C)C2)C1=O,[*]N1CCN([*])C1=O,0.49686524,False
24298,COc1cccc(N2CCN(CCN3CC4CCCC(CC4)C3c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.5239459,False
24299,COc1ccccc1C(=O)NCC=CCN1CCN(c2cc(Br)ccc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54949266,False
24300,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)OCC3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80371183,False
24301,Cc1ccc(CN2CCN(CCN3CCN(C(C)C)CC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.48890316,False
24302,Nc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9240533,False
24303,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9740301,True
24304,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc2c(OCCF)cccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79186964,False
24305,O=C(NCC=CCN1CCN(c2cccnc2S)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66732067,False
24306,O=C1N(CCN2Cc3ccsc3C2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.7044018,False
24307,CC1(C)C2CCC1(CN1CCN(Cc3cccc(Cl)c3)C1=O)CCNC2,[*]N1CCN([*])C1=O,0.34917334,False
24308,CCCCN(CCC)C1COc2c(cccc2-c2ccncc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71819717,False
24309,CCCc1cccc2c1OCC(N(CCC)c1ccccc1F)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6685398,False
24310,CCN1CCN(CC2CCNCC2)C1=O,[*]N1CCN([*])C1=O,0.3860947,False
24311,CCc1ccc(C)c(OCCCCl)c1C(=O)NCC1CCCN1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23714745,False
24312,CN(Cc1cccs1)CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.3603176,False
24313,COCC1C(CCCN2CCN(c3cccc(Cl)c3)C2=O)CN2CCCC12,[*]N1CCN([*])C1=O,0.7136003,False
24314,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2cccc(C(C)=O)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.3574718,False
24315,COc1ccc(C(=O)C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7920067,False
24316,Cc1ccc(N2CCN(CC3CNCCO3)C2=O)cc1,[*]N1CCN([*])C1=O,0.32265088,False
24317,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.8970321,True
24318,O=C1N(c2ccc(Cl)c(Cl)c2)CCN1C1CCCCCN1,[*]N1CCN([*])C1=O,0.24029383,False
24319,CCCN(CC(C)=O)C1COc2c(cccc2-c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5548522,False
24320,CCN1CCCC1CNC(=O)c1c(C)ccc(F)c1OO,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.71924216,False
24321,COc1ccc(N2CCN(CC=CCNC(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41341972,False
24322,Cc1ccccc1Oc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88554156,False
24323,O=C(Cc1ccc(-c2ccsc2)cc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7664323,False
24324,O=C(NCC=CCN1CCN(c2cccc(Br)c2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4542685,False
24325,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2cnccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81832886,False
24326,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc(-c2ccc(Br)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9477592,False
24327,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46862885,False
24328,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(N2CCOCC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64588517,False
24329,O=C1N(C#Cc2ccccc2F)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.35273668,False
24330,O=C1N(CC2CCCCCN2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.36451432,False
24331,O=C1N(CC2CCCCN2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.4971036,False
24332,O=C1N(CCN2CCCCNC2)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.7367873,False
24333,CCCN(Cc1ccsc1)C1COc2c(cccc2C2CCCCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6893177,False
24334,CCCOc1c(OC)ccc(OCC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2939627,False
24335,CCOc1c([N+](=O)[O-])ccc(Br)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.18109931,False
24336,CCc1cccc2c1OCC(N(Cc1ccc(O)cc1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.39978528,False
24337,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96326876,False
24338,COc1cccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8354306,False
24339,O=C(NCC=CCN1CCN(COc2ccccc2Cl)CC1)c1cccc2c1Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3243252,False
24340,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1[nH]c(O)cc1-c1ccccc1Cc1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9104306,False
24341,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Cl)c(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96341366,False
24342,O=C1N(CC2NCCCC2O)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.392345,False
24343,O=C1N(Cc2cc3ccccc3o2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.34719262,False
24344,O=C1N(Cc2cccc(OC(F)(F)F)c2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.3240051,False
24345,C=CCc1cccc2c1OCC(N(CCC)c1ccc(C(F)(F)F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6156969,False
24346,CC(C)N1CCN(C(C)CN2CCN(c3cccc(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.4038209,False
24347,CCN(C(C)C)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43154773,False
24348,CCc1cccc2c1OCC(N(C=O)CC(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.45210913,False
24349,CN(CC1CCC2Cc3ccccc3CCC21)CN1CCN(Cc2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.37201408,False
24350,COC(=O)c1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.80609477,False
24351,COc1c(Cl)cccc1C(=O)NCC=CCN1CCN(c2cccc(Br)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45022357,False
24352,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)o2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8338121,False
24353,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccc(Cl)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4405486,False
24354,Cc1ccccc1N1CCN(CC2CCCCNC2)C1=O,[*]N1CCN([*])C1=O,0.3042925,False
24355,N#CC1CCCCC1N1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.34817436,False
24356,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1c(O)cccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5348961,False
24357,O=C1N(CCN2CCCOC2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.44521537,False
24358,CCCCN1CCCC1CNC(=O)c1c(C)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.42777905,False
24359,CCCN(CCC)C1COc2c(cccc2-c2cscn2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.73134273,False
24360,CCOc1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.77304673,False
24361,CCc1ccc(C)c(OSO)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.72078836,False
24362,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2-c2ccccc2[N+](C)=O)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.42173925,False
24363,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2Cc2ccc(C)cc2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.32675493,False
24364,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7512041,False
24365,COc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7953486,False
24366,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc3c(c2)N(C)Cc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5048145,False
24367,COc1n[nH]cc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5973028,False
24368,O=C(NCC=CCN1CCN(c2cccc(Oc3ccccc3OCCF)c2)CC1)c1cccc(Cl)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43851528,False
24369,O=C1N(CC2CCN3CCCc4ccccc4CC3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5972762,False
24370,O=C1N(CCF)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.5278767,False
24371,CC(C)c1cccc(N2CCN(c3cccc(CN(C)C)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.25590843,False
24372,CCCOc1c(CC)ccc(C)c1C(=O)NCC1CCCN1SC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19902436,False
24373,CCCc1cccc2c1OCC(N(COC)C(=O)c1ccoc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.26463827,False
24374,CCN1CCCC1CNC(=O)c1c(C)ccc(S)c1OCl,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6502454,False
24375,COc1cccc(N2CCN(C3CCN(C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.5092911,False
24376,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccc(-c3ccc(C)[nH]3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34858847,False
24377,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)c3)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41707078,False
24378,O=C(NCC=CCN1CCN(c2ccc3c(c2)NCCO3)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40936622,False
24379,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccns2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87983555,False
24380,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(-c2ccccc2O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8462441,False
24381,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1sccc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78309715,False
24382,O=C1N(CCN2CCCCc3ccccc32)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.46630138,False
24383,CC(C)(C)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9511864,False
24384,CC(C)OCN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.814238,False
24385,CC(CN1CCN(C(C)C)CC1)CN1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.54341745,False
24386,CCC(=O)CN(c1ccccc1)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.30729097,False
24387,CCCN(Cc1cocc1OC)C1COc2c(CC)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5912741,False
24388,CN(Cc1cccc(C(C)(C)C)c1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.52164567,False
24389,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccc(Br)cc3)CC2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6341068,False
24390,O=C(NCC=CCN1CCN(C2CCc3ccc(O)cc3O2)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.442955,False
24391,O=C(NCC=CCN1CCN(N[N+](=O)c2ccccn2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31185743,False
24392,O=C(NCC=CCN1CCN(c2ccc3ccc([N+](=O)[O-])cc3c2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4035867,False
24393,O=C1N(Cc2ccccc2Cl)CCN1C1CCCOC1,[*]N1CCN([*])C1=O,0.2925002,False
24394,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CCc2ccsc2CC1,[*]N1CCN([*])C1=O,0.42616564,False
24395,O=C1N(c2cccc(Cl)c2)CCN1c1cccc2c1Cc1ccccc1-2,[*]N1CCN([*])C1=O,0.36930704,False
24396,CCCN(CC1CCCC1)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.65485406,False
24397,CCCN(c1ccc(OC)cc1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51738214,False
24398,CCCc1cccc2c1OCC(N(CC)COC)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.64193434,False
24399,CCCc1cccc2c1OCC(N(CC)Cc1ccc(-c3ccccc3)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.63153523,False
24400,CCOc1c(C)ccc(CC)c1C(=O)NCC1CCCN1Br,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.15541276,False
24401,CCc1cccc(N2CCN(C3CCOCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.3174469,False
24402,CON1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2C(=O)c2cccc(Cl)c2)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.48037526,False
24403,COc1c(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c[nH]c1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88441664,False
24404,COc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3C)CC2)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.80616134,False
24405,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1sc2ccccc2c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7820937,False
24406,O=C1N(CCN2Cc3ccccc3C2)CCN1CC1CCOCC1,[*]N1CCN([*])C1=O,0.6977784,False
24407,CCCSc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OOC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.606356,False
24408,CCc1ccc(Cl)c(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2659791,False
24409,COc1cccc(N2CCN(CC3CCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.53277713,False
24410,COc1ccccc1N1CCN(CC=CCNC(=O)c2c(F)cccc2[N+](=O)[O-])CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71721196,False
24411,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccn3)c(C)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7541933,False
24412,Cc1ccc(N2CCN(CCN3Cc4ccccc4C3CO)C2=O)cc1,[*]N1CCN([*])C1=O,0.4485298,False
24413,Cc1cccn1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9174993,False
24414,O=C(NCC=CCN1CCN(c2cc3ccccc3cn2)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44529343,False
24415,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(-c2ccccc2)cs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9243482,False