,smiles,scaffold,p,in_validation
0,C#COc1cccc(N2CCN(CCN3CCN(C(C)C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.9119437,False
1,CC(=O)c1cccc2c1OCC(N(C)CCC(=O)N1CCC(C)CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.29632995,False
2,CC1Cc2ccccc2N1C(=O)CN1CCN(CN(C)Cc2cccs2)C1=O,[*]N1CCN([*])C1=O,0.29045048,False
3,CCOc1ccc(CC)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8675019,False
4,CN(C)Cc1csc(N2CCN(CC3Cc4ccccc4O3)C2=O)c1,[*]N1CCN([*])C1=O,0.48417258,False
5,COc1cccc(N2CCN(CCN3C4CCC3Cc3ccccc3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.70513815,False
6,COc1cccc(N2CCN(CCN3CC4CCC(CC4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.77675927,False
7,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9756508,True
8,COc1ccccc1N1CCN(CN(C)CC23CCC(CC2)C3(C)C)C1=O,[*]N1CCN([*])C1=O,0.4378067,False
9,Cc1ccc(N2CCN(CCN3CCc4ccccc4N3)C2=O)s1,[*]N1CCN([*])C1=O,0.6201668,False
10,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc2c(c1)-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.873859,False
11,O=C1N(CCN2CCc3sccc3C2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.51175296,False
12,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.8854616,False
13,O=C1N(Cc2cc3ccccc3s2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.56908524,False
14,O=C1N(Cc2ccccc2Cl)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.3302448,False
15,CCCN(CC1(O)CCCC(NC(C)=O)C1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39062706,False
16,CCN(CCC(=O)N1CCCC12CCC(=O)C2)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.29158515,False
17,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Br)ccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7333756,False
18,CN1CCN(CCN2CCN(c3cccc4c3CCO4)C2=O)CC1,[*]N1CCN([*])C1=O,0.65968984,False
19,COc1cc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c2[nH]ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.884888,False
20,COc1ccccc1N1CCN(C2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.24451068,False
21,COc1ccccc1N1CCN(CC=CCNC(=O)OC(C)(C)C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9378293,False
22,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3cccc(OC)c3o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8720319,False
23,C[N+]c1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8573485,False
24,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9577058,True
25,Cc1nc2cccc(N3CCN(CCN4CCCc5ccccc54)C3=O)c2s1,[*]N1CCN([*])C1=O,0.38531727,False
26,O=C1N(CCOC2CCCC2)CCN1c1ccc(F)c(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.5575827,False
27,O=C1Nc2ccccc2CN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.79196364,False
28,CC1(C)C2CCC3(CCN(CCN4CCN(c5cccc(Cl)c5)C4=O)C31)C2,[*]N1CCN([*])C1=O,0.6672017,False
29,CC1CCN(C(=O)CCN(CCc2ccccc2)C2COc3c(Br)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.2854184,False
30,CCN1CCCC1CNC(=O)c1c(Br)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9571396,False
31,CN(C)Cc1cccc(N2CCN(Cc3ccc4c(c3)NC(=O)CO4)C2=O)c1,[*]N1CCN([*])C1=O,0.3784153,False
32,CN1CCN(CCN2CCN(c3cccc(C(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8401823,False
33,COC(C)N1CCN(CN2CCN(Cc3cccc(Cl)c3)CC2)C1=O,[*]N1CCN([*])C1=O,0.45389226,False
34,COc1cccc(N2CCN(C3CCC[S+]([O-])C3)C2=O)c1,[*]N1CCN([*])C1=O,0.23578121,False
35,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.50224674,False
36,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)-c1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.945997,False
37,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2ccccc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9226269,False
38,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc2cc(O)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8415551,False
39,O=C1N(CCN2CCC(c3cccc(Br)c3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8644351,False
40,O=C1N(CCN2CCCCCC2)CCN1c1ccc(F)c(F)c1,[*]N1CCN([*])C1=O,0.7976373,False
41,O=C1N(CN2CCCc3ccccc3C2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.6124122,False
42,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc2occc2c1,[*]N1CCN([*])C1=O,0.5769617,False
43,CC(CN1CCN(c2cc(Cl)ccc2F)C1=O)N1CCCCC1,[*]N1CCN([*])C1=O,0.16618666,False
44,CC12CC3(CO)CCCN(CCN4CCN(c5cccc(Cl)c5)C4=O)C1C32C,[*]N1CCN([*])C1=O,0.6128172,False
45,CC12CCC(N3CCN(CN4CCCCC4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.26438975,False
46,CCN(C(C)C)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.29740947,False
47,COC(C)N1CCN(CN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5338203,False
48,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Cl)c(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9494909,False
49,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(F)c4Cl)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8077275,False
50,O=C(CNc1ccccc1)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71718246,False
51,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.8839645,False
52,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.81823945,False
53,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.6572318,False
54,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.7345735,False
55,O=C1N(CN2Cc3ccccc3C2)CCN1c1cc(F)c(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.60091704,False
56,O=C1N(Cc2ccccc2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.3999521,False
57,O=C1N(c2cccc(-c3ccccc3)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.274367,False
58,O=Cc1ccccc1N1CCN(CCOC2CCCC2)C1=O,[*]N1CCN([*])C1=O,0.4232723,False
59,CC(=O)n1ccc(N2CCN(CCN3CCOCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.28926206,False
60,CC(C)(C)c1cccc(N2CCN(CCN3CCOCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.47778425,False
61,CC(c1ccccc1)N1CCN(c2cc(CN(C)C)cs2)C1=O,[*]N1CCN([*])C1=O,0.26975024,False
62,CC1(C)C2CCC1(CNCN1CCN(c3cccc(C(F)(F)F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.4337576,False
63,CC12CCC(CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1)C2,[*]N1CCN([*])C1=O,0.89065236,False
64,CC1CCN(CCN2CCN(c3cccc(Cl)c3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.8798738,False
65,CCCN(CCC)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8680306,True
66,CCN(CC1CC(C)N(C(C)=O)C1)C1COc2c(N)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3325902,False
67,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(OC)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8168459,False
68,CN(Cc1cccs1)CN1CCN(Cc2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.2985749,False
69,CN1CCN(CCN2CCN(c3ccc(F)c(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.76465195,False
70,COCCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.50696796,False
71,COc1ccccc1N1CCN(CCN2C3CC4CC2C(C3)C(C)(C)C4)C1=O,[*]N1CCN([*])C1=O,0.34971207,False
72,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cccc2sccc12,[*]N1CCN([*])C1=O,0.5273091,False
73,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.84449244,False
74,CCN(CC(=O)N1CCN(c2cccc(Cl)c2)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.17768769,False
75,Cc1ccc(CN2CCN(CCN3CCc4ccccc4C3)C2=O)s1,[*]N1CCN([*])C1=O,0.5597244,False
76,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccc(-c4nccs4)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80387473,False
77,Cc1cccc(N2CCN(CCN3CC4CCC(CC4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7162759,False
78,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.988125,True
79,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.7380762,False
80,O=C(c1cccc(Cl)c1)N1CCN(C2CCC[S+]([O-])C2)C1=O,[*]N1CCN([*])C1=O,0.20266436,False
81,O=C1N(CC2CCCCN2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.4887186,False
82,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.83487016,False
83,O=C1N(Cc2ccc(-c3ccsc3)cc2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.6273911,False
84,O=Cc1ccc(-c2cccc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83627397,False
85,CC(=O)NCCCN(CC(=O)OC(C)(C)C)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3007101,False
86,CC12CCC(N3CCN(C4CCNOC4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.27516356,False
87,CC12CCC(N3CCN(C4CNOC4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.21275446,False
88,CCCN(C(C)=O)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4929,False
89,CCN1CCCC1CNC(=O)c1c(C)ccc(SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.824509,False
90,CN(C)Cc1cccc(N2CCN(CCN3CCCC(c4ccccc4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7723921,False
91,CN1CC2(N3CCN(c4ccccc4)C3=O)CC(C)(C)CC1(C)C2,[*]N1CCN([*])C1=O,0.32549083,False
92,COc1cccc(N2CCN(CN3CCCCC3C)C2=O)c1,[*]N1CCN([*])C1=O,0.42482302,False
93,Cc1ccc(CN2CCN(CCN3Cc4ccccc4NC3=O)C2=O)cc1,[*]N1CCN([*])C1=O,0.4503712,False
94,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4F)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6776737,False
95,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccnc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8462713,False
96,O=C1N(C2CCNCC2)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.27093786,False
97,O=C1N(CCN2CCOCC2)CCN1c1ccc(Cl)cc1F,[*]N1CCN([*])C1=O,0.29441327,False
98,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(Cl)c(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.91952026,False
99,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.91485643,False
100,CC(C)N1CCN(CCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.81979454,False
101,CC1CCN(C(=O)CCN(CC=Cc2ccccc2)C2COc3c(F)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.21779995,False
102,CC1c2ccccc2CN1CCN1CCN(c2cc(CN(C)C)cs2)C1=O,[*]N1CCN([*])C1=O,0.5511597,False
103,CCCN(CCO)C1COc2c(cccc2C(F)(F)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6780686,False
104,COCCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.38900125,False
105,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4CF)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75609577,False
106,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4F)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60630655,False
107,COc1cccc(N2CCN(CCN3CC4(C)CC3CC(C)(C)C4)C2=O)c1,[*]N1CCN([*])C1=O,0.67362326,False
108,COc1ccccc1N1CCN(CC2CCCNC2)C1=O,[*]N1CCN([*])C1=O,0.3337214,False
109,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2[N+](=O)[O-])CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83512163,False
110,Nc1cc(C(=O)NCC=CCN2CCN(c3ccccc3)CC2)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46932253,False
111,O=C(NCC=CCN1CCN(c2ccc3c(c2)OCCO3)CC1)c1ccc(-c2ccsc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38081715,False
112,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1ccc2c(c1)OCO2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7072074,False
113,O=C1N(CC2CCCCN2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.55620706,False
114,CC1(C)C2CCCN(CCN3CCN(c4cccc(Cl)c4F)C3=O)C1CC2,[*]N1CCN([*])C1=O,0.43537277,False
115,CC1(C)CCCN(CCN2CCN(c3ccccc3F)C2=O)C1,[*]N1CCN([*])C1=O,0.48962218,False
116,CC1CCCCN1CCN1CCN(c2cccc(Cl)n2)C1=O,[*]N1CCN([*])C1=O,0.3962806,False
117,CCCN(CCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.66522557,False
118,CCN(CCCN1CCC2(CCCC2)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52495235,False
119,COc1ccc(C(C)=O)c(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9759219,False
120,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(OCC(F)(F)F)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9629,False
121,Cc1nc(N2CCN(CCN3CCc4ccccc4N3)C2=O)cs1,[*]N1CCN([*])C1=O,0.45729533,False
122,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc2c1-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83453804,False
123,O=C1N(CC2CCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.62777454,False
124,O=C1N(CCN2CCC3Cc4ccccc4CC2C3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5350612,False
125,O=C1N(CCN2CCCc3ccccc32)CCN1c1cc2ccc(Cl)cc2s1,[*]N1CCN([*])C1=O,0.42052665,False
126,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.8286218,False
127,O=C1N(CCOC2CCCC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.48370838,False
128,CC1(C)C2CCCC1CN(CCN1CCN(c3ccccc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.61556906,False
129,CCCN(CC)C1COc2c(cccc2-c2ccc([N+](=O)[O-])cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53336734,False
130,CN(CCN1CCN(c2cccc(OC(F)(F)F)c2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.75387037,False
131,CN(Cc1cccc(Cl)c1)CN1CCN(CCN2COc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.57626647,False
132,CN(Cc1cccs1)CN1CCN(c2cccc3c2OCO3)C1=O,[*]N1CCN([*])C1=O,0.32918307,False
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254,CCN(C(C)C)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47126326,False
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258,COc1cccc2c1OCC(N(CCC(=O)N1CCC(C)CC1)c1ccc(F)c(F)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.20046847,False
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264,O=C1N(CCN2CCCC(O)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.49470955,False
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937,O=C1N(CNCC2CCCCC2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.20194176,False
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940,CN(Cc1cccc(Cl)c1)CN1CCN(Cc2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.35887557,False
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944,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc(Oc2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8673811,False
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952,CC12CC3CCC(C1)(C2)C(CN1CCN(c2cccc(Cl)c2)C1=O)C3,[*]N1CCN([*])C1=O,0.60183215,False
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954,CC1CCN(CCN2CCN(c3cccc(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8932087,False
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957,CN1CCC(N2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.51957756,False
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963,O=C1N(CNCC23CCCCC2COC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.41258442,False
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965,CC(N1Cc2ccccc2C1)N1CCN(c2cc3ccccc3s2)C1=O,[*]N1CCN([*])C1=O,0.34234846,False
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969,Cc1ccc(N2CCN(C3CCNCC3)C2=O)cn1,[*]N1CCN([*])C1=O,0.20705378,False
970,O=C1N(CCN2CCCCCC2)CCN1c1ccc(-c2ccncc2)cc1,[*]N1CCN([*])C1=O,0.78252596,False
971,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2nc(O)oc2c1,[*]N1CCN([*])C1=O,0.6793979,False
972,O=C1N(c2ccccc2)CCN1C1CCCNCC1,[*]N1CCN([*])C1=O,0.36296645,False
973,CC(=O)NCCCN(C)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.31178024,False
974,CCCN(CCC)C1COc2c(cccc2-c2ccc(OC(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.79106814,False
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977,CN(C)Cc1csc(N2CCN(CCN3Cc4ccccc4C3=O)C2=O)c1,[*]N1CCN([*])C1=O,0.5857605,False
978,Cc1cc(N2CCN(CCN3CCc4ccccc4C3)C2=O)cs1,[*]N1CCN([*])C1=O,0.6809057,False
979,Cc1nc2ccc(N3CCN(CCN4CCCc5ccccc54)C3=O)cc2s1,[*]N1CCN([*])C1=O,0.3264516,False
980,O=C(CCOc1ccc2c(c1)-c1ccccc1C2)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53348804,False
981,O=C1N(CCN2CCC3CCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8648268,False
982,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(Cl)s1,[*]N1CCN([*])C1=O,0.837245,False
983,CC1CCC(c2ccccc2)N1CN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.30897903,False
984,CCCCN(CCC)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.74296606,False
985,CCCN(C(C)=O)C1COc2c(cccc2C(=O)Oc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4823581,False
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987,CCN1CCCC1CNC(=O)c1c(O)ccc(S(=O)(=O)[O-])c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.72898257,False
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989,Cc1cc(N2CCN(CN3CCN(Cc4ccc(Cl)cc4)CC3)C2=O)on1,[*]N1CCN([*])C1=O,0.46986178,False
990,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(F)cc(F)c1,[*]N1CCN([*])C1=O,0.93254554,False
991,O=C1N(Cc2cc(CN3CCCCC3)cs2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4467673,False
992,O=C1N(Cl)CCN1CCN1CCCCCC1,[*]N1CCN([*])C1=O,0.54327,False
993,O=C1N(c2ccc(Cl)cc2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.32549918,False
994,CC(C)Oc1ccc(N2CCN(CCN3CCc4ccccc4N3)C2=O)cc1,[*]N1CCN([*])C1=O,0.6470502,False
995,CC(C)c1cccc(N2CCN(CCN3CCOCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.46089226,False
996,CC1(C)C2CCC1(CN1CCN(c3ccc(F)cc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.41839236,False
997,CC1(C)C2CCC1(N1CCN(C3COCN3)C1=O)CC2,[*]N1CCN([*])C1=O,0.2850654,False
998,CC1CCN(C(=O)CCN(C)C2COc3c(cccc3C(N)=O)C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.25911096,False
999,CCN(CC1CC1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56870264,False
1000,CN(C)c1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39028093,False
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1002,Cc1cc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)on1,[*]N1CCN([*])C1=O,0.5912518,False
1003,Cc1ccc(N2CCN(CN3Cc4ccccc4C3)C2=O)cn1,[*]N1CCN([*])C1=O,0.5015776,False
1004,Cc1cccc(N2CCN(CC3CCCCCN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.5377557,False
1005,O=C1N(CC2CCCN2C2CC3CCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.60447425,False
1006,O=C1N(CCN2C3CCCC2CC3)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.4405567,False
1007,O=C1N(CCN2CCCc3sccc3C2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.7083801,False
1008,O=C1N(CCN2CCc3ccccc32)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.5771317,False
1009,CCCN(C)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7340097,False
1010,CN(Cc1cccc(Cl)c1)CN1CCN(CN2Cc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.3371173,False
1011,CN1CCCCC1N1CCN(C2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.39995366,False
1012,CN1CCN(CCN2CCN(Cc3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6185978,False
1013,Cc1cc(CN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)on1,[*]N1CCN([*])C1=O,0.25561792,False
1014,Cc1ccc(N2CCN(CN3CCCCCC3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.35011515,False
1015,Cc1cccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1F,[*]N1CCN([*])C1=O,0.8341682,False
1016,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1ccccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.7667777,False
1017,O=C(c1cccc(Cl)c1)N1CCN(CC2COCCN2)C1=O,[*]N1CCN([*])C1=O,0.11939148,False
1018,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(F)cc1,[*]N1CCN([*])C1=O,0.8536129,False
1019,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.83252776,False
1020,C=CCN1CCCC1CNC(=O)c1c(CCCF)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5811489,False
1021,CC(=O)n1ccc2cccc(N3CCN(CN4Cc5ccccc5C4)C3=O)c21,[*]N1CCN([*])C1=O,0.3300483,False
1022,CC1(C)C2CCC1(N1CCN(C3CNCOC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.2232106,False
1023,CCCN(CC)C1COc2c(cccc2-c2ccc(S(=O)(=O)[O-])cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.50077915,False
1024,CCCN(CCC)C1COc2c(Cc3ccsc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8169528,False
1025,COc1ccc(OCCF)c(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9773279,False
1026,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc([N+](=O)[O-])cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8611189,False
1027,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76320714,False
1028,O=C1N(CC2OCC3CCC2CC3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.28284997,False
1029,O=C1N(Cc2cc3ccccc3s2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.2806245,False
1030,CC(C)(C)N1CCc2cc(N3CCN(CN4Cc5ccccc5C4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.5446764,False
1031,COc1c(C(=O)NCCN2CCN(c3ccc(F)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8484257,False
1032,COc1ccc2c(C(=O)NCC=CCN3CCN(c4ccccc4)CC3)cccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38163388,False
1033,COc1cccc(N2CCN(CC(F)F)C2=O)c1,[*]N1CCN([*])C1=O,0.35429013,False
1034,COc1cccc2c1OCC(N(CCC(=O)N1CCC(C)CC1)c1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.18317124,False
1035,Cc1cccc(C(=O)NCC=CCN2CCN(c3cccc(C(F)(F)F)c3Cl)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72518206,False
1036,Nc1cc(C(=O)NCC=CCN2CCN(c3cccc(CF)c3Cl)CC2)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78123486,False
1037,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2ccccc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.923553,False
1038,O=C1N(CCN2CC3CCC(C3)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.53344274,False
1039,O=C1N(CCOC2CCCC2)CCN1c1cccc(O)c1,[*]N1CCN([*])C1=O,0.58360076,False
1040,C=CCN1CCCC1CNC(=O)c1c(O)ccc(CCC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.61460614,False
1041,CC(C)N1CCN(CCN2CCN(c3cccc(F)c3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.7744257,False
1042,CC12CCC(CN(CCN3CCN(c4cccc(Cl)n4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.58447534,False
1043,CC1CCN(CN2CCN(c3ccccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.5648594,False
1044,CCCN(C)C1COc2c(cccc2-c2ccccc2F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6412179,False
1045,CN1CCCCCC1N1CCN(c2cccc(Cl)n2)C1=O,[*]N1CCN([*])C1=O,0.27772108,False
1046,CN1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8852955,True
1047,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8721583,False
1048,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2cc(OCCF)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96479094,False
1049,O=C1N(CN2CCC(C(F)(F)F)CC2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.66500187,False
1050,CC(C)N1CCN(CCN2CCN(c3cccc(C(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8871039,False
1051,CC1(C)C2CCC1(N1CCN(c3ccc(Cl)cn3)C1=O)CC2,[*]N1CCN([*])C1=O,0.23408654,False
1052,CC1(C)C2CCC13CCN(CCN1CCN(c4cccc(Cl)c4)C1=O)C3C2,[*]N1CCN([*])C1=O,0.79350376,True
1053,CC1CCCCN1CCN1CCN(c2cccc3cccnc23)C1=O,[*]N1CCN([*])C1=O,0.37607178,False
1054,CCCN(CCC(=O)N1CCc2ccccc2C1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.34132457,False
1055,Cc1ccc(N2CCN(C3CCCNC3)C2=O)o1,[*]N1CCN([*])C1=O,0.21950608,False
1056,O=C(NCC=CCN1CCN(c2cccc(Cl)c2OCCF)CC1)c1c[nH]c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6216327,False
1057,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(F)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82351065,False
1058,O=C1N(CC2CCCCN2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.42805648,False
1059,CC1(CN2CCN(c3ccccc3)C2=O)CCCCN1,[*]N1CCN([*])C1=O,0.28330147,False
1060,CCCCN(CCC)C1COc2c(cccc2-c2ccc(S(C)(=O)=O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.55841386,False
1061,CCN(CCC(=O)N1c2ccccc2CC1C)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.32170004,False
1062,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Br)cc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85980123,False
1063,Fc1cccc2c1OCC(N(CCCc1ccccc1)CC1CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.55827546,False
1064,O=C1N(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.7574123,False
1065,O=C1N(CCN2CCOCC2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.31826404,False
1066,O=C1N(c2cccc(Cl)c2Cl)CCN1C1CCCC(Nc2ccccn2)C1,[*]N1CCN([*])C1=O,0.14520276,False
1067,O=C1Nc2ccccc2CN1CCN1CCN(c2cc(Cl)ccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.5572075,False
1068,CC(C)N1CCN(C(C)CN2CCN(c3cccc(Cl)c3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.2896384,False
1069,CC1(C)CCC2(C)CC(C1)N2CCN1CCN(c2ccc3c(c2)OCO3)C1=O,[*]N1CCN([*])C1=O,0.5420255,False
1070,CN1CCN(CCN2CCN(c3ccc(C#N)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7414566,False
1071,COc1cccc(N2CCN(CC=CCNC(=O)c3ccc4c(c3)Cc3ccccc3-4)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45471483,False
1072,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1cccc(O)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8665225,False
1073,O=C(NCC=CCN1CCN(c2cccc(F)c2F)CC1)c1ccc(-c2ccsc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75392383,False
1074,O=C1CCc2ccc(CCN3CCN(c4cccc(CN5Cc6ccccc6C5)c4)C3=O)cc2N1,[*]N1CCN([*])C1=O,0.71627665,False
1075,O=C1N(C2CCc3ccccc3C2)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.2887073,False
1076,O=C1N(CCN2CCCCc3ccoc3C2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.50021744,False
1077,O=C1N(CCN2CCOCC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.39753538,False
1078,O=C1N(c2ccccn2)CCN1C1CCCCNC1,[*]N1CCN([*])C1=O,0.25168523,False
1079,CC1(C)C2CCC1(N1CCN(C3CCN(Cc4ccc(Cl)cc4)C3)C1=O)CC2,[*]N1CCN([*])C1=O,0.5958129,False
1080,CC1(C)C2CCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC1C2,[*]N1CCN([*])C1=O,0.8567276,False
1081,CC12CCC(N3CCN(C4CCCOC4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.19081227,False
1082,CC1CCN(C(=O)CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.2352201,False
1083,CCCCN(CCC)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7553457,False
1084,CCOc1ccccc1N1CCN(CC=CCNC(=O)CCOc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60878646,False
1085,COc1ccccc1N1CCN(CCN2CCCC(C)C2)C1=O,[*]N1CCN([*])C1=O,0.5738658,False
1086,Cc1cccc(CN2CCN(CCN3CCc4ccccc4N3)C2=O)c1,[*]N1CCN([*])C1=O,0.5657721,False
1087,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(-c2ccc(F)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68463415,False
1088,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccc2c(c1)OCC2,[*]N1CCN([*])C1=O,0.45807937,False
1089,O=C1N(CCN2Cc3ccccc3C2)CCN1CC(=O)n1ccc2ccccc21,[*]N1CCN([*])C1=O,0.5111444,False
1090,O=C1N(CCN2Cc3ccccc3C2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.8920869,False
1091,CC(C)N1CCCC(N2CCN(c3cccc(Cl)c3F)C2=O)C1,[*]N1CCN([*])C1=O,0.25383055,False
1092,CC(CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O)N1CCCCC1,[*]N1CCN([*])C1=O,0.21124417,False
1093,CCCCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.76151884,False
1094,CCCc1ccc(O)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7716905,False
1095,CNc1ccc(C(=O)NCC=CCN2CCN(c3ccc(F)c(F)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3643323,False
1096,COc1cccc(N2CCN(CCC3CCN3CC(F)(F)F)C2=O)c1,[*]N1CCN([*])C1=O,0.63477707,False
1097,COc1cccc2c1OCC(N(CCN1CCN(c3ccccc3)C1=O)CC1CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.57775676,False
1098,COc1ccccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7702793,False
1099,C[N+](=O)c1ccccc1N1CCN(CCN2CCN(c3cccc(Cl)c3)CC2)C1=O,[*]N1CCN([*])C1=O,0.6510511,False
1100,Cc1csc(N2CCN(CCN3C(=O)CCc4ccccc43)C2=O)n1,[*]N1CCN([*])C1=O,0.41730028,False
1101,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(OC(F)(F)F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7844378,False
1102,CC(N1CCCCCC1)N1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.17231555,False
1103,CC1(C)CC2CCC1CN2CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.54560214,False
1104,CCOc1ccc(C)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.824822,False
1105,CN(C)CCN1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7131465,False
1106,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49745265,False
1107,Cc1ccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.71744287,False
1108,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.906183,False
1109,O=C1N(CC2CCNCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7588178,True
1110,O=C1N(CC2COCCN2)CCN1c1cccc(-c2ccccn2)c1,[*]N1CCN([*])C1=O,0.32255295,False
1111,O=C1N(CCN2CCC3Cc4ccccc4CC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.70724756,False
1112,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.5963505,False
1113,O=C1N(c2cccc(C(F)(F)F)c2)CCN1C1CCC2Cc3ccccc3CCN2C1,[*]N1CCN([*])C1=O,0.42818207,False
1114,O=C1Nc2ccccc2CN1CCN1CCN(Cc2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.5587203,False
1115,CC1(C)CCC(CN2CCN(c3cccc(C(F)(F)F)c3)C2=O)N2CCC21,[*]N1CCN([*])C1=O,0.5625598,False
1116,CC1Cc2ccccc2N1C(=O)CCN(Cc1cc2c(cc1Cl)OCO2)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.27544436,False
1117,CCCN(CCO)C1COc2c(cccc2C(=O)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5691209,False
1118,COc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8843858,False
1119,COc1ccccc1N1CCN(CC(=O)N2CCN(C(C)C)CC2)C1=O,[*]N1CCN([*])C1=O,0.08475539,False
1120,N#Cc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2O[N+])CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8723616,False
1121,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.9419557,False
1122,O=C1N(CCN2CCCCc3ccoc3C2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.47513384,False
1123,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.4265631,False
1124,O=C1N(Cc2cccs2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.6091955,False
1125,CC(CN1CCN(CCN2Cc3ccccc3C2)C1=O)n1ccc(Cl)c1,[*]N1CCN([*])C1=O,0.7268171,False
1126,CCCN(C)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7344046,False
1127,CCN(CC1CCC(NC(=O)OC(C)(C)C)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3049868,False
1128,CN(C)Cc1csc(N2CCN(CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.5623846,False
1129,CN1CCN(CCN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1,[*]N1CCN([*])C1=O,0.54698336,False
1130,Cc1ccc(N2CCN(C3CCCNC3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.22090955,False
1131,N#Cc1ccc(N2CCN(CN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.57319516,False
1132,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89606166,False
1133,O=C1N(CC2COCCN2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.28551432,False
1134,O=C1N(CCN2CCc3cccc(C(F)(F)F)c3C2)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.73916775,False
1135,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(-c2nccs2)c1,[*]N1CCN([*])C1=O,0.66119206,False
1136,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccco1,[*]N1CCN([*])C1=O,0.58038336,False
1137,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(-c2ccncc2)s1,[*]N1CCN([*])C1=O,0.7716128,False
1138,O=C1Nc2ccccc2CN1CCN1CCN(c2cccc3sccc23)C1=O,[*]N1CCN([*])C1=O,0.5442027,False
1139,C=CN1CCCC1CNC(=O)c1c(CCCF)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2198945,False
1140,CNc1ccc(C(=O)NCC=CCN2CCN(CCc3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31880245,False
1141,COc1cccc(N2CCN(CCN3Cc4ccccc4NC3=O)C2=O)c1,[*]N1CCN([*])C1=O,0.7285901,False
1142,COc1cccc2c1OCC(N(CCCN1C(=O)CC3(CCCC3)CC1=O)CC1CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.55225694,False
1143,COc1ccccc1N1CCN(CCN(C)Cc2cc(C)no2)C1=O,[*]N1CCN([*])C1=O,0.39623383,False
1144,Cc1cc(CN2CCN(c3ccc(F)cc3)C2=O)on1,[*]N1CCN([*])C1=O,0.19144367,False
1145,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.8554002,False
1146,O=C1N(CCN2CCC3c4ccccc4CCC32)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.6061729,False
1147,O=C1N(Cc2cccc(Cl)c2F)CCN1CN1CCC(C(F)(F)F)CC1,[*]N1CCN([*])C1=O,0.63855654,False
1148,O=C1N(c2ccccc2Cl)CCN1C1CCCCCN1,[*]N1CCN([*])C1=O,0.17131034,False
1149,CC(=O)Oc1cccc(N2CCN(CCN3CCN(C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.60071105,False
1150,CC1CCCN(CCN2CCN(c3ccccc3F)C2=O)C1,[*]N1CCN([*])C1=O,0.5473766,False
1151,CC1CCN(CCN2CCN(c3cccc(CN4Cc5ccccc5C4)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.85240144,False
1152,CCCN(CCCN1C(=O)COC2(CCCC2)C1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.55639386,False
1153,CN(Cc1ccccc1)CN1CCN(c2ccc(-c3ccccc3)cc2)C1=O,[*]N1CCN([*])C1=O,0.40364072,False
1154,COC(C)N1CCN(c2cccc(N3CCN(C)CC3)c2)C1=O,[*]N1CCN([*])C1=O,0.35926786,False
1155,COc1cccc2c1OCC(N(CCCN1C(=O)CN(c3ccccc3)C1=O)CCc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5110432,False
1156,Cn1ccc(N2CCN(CC3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.37749785,False
1157,O=C1N(CN2C3CCCC2CC3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.36514217,False
1158,O=C1N(c2cccc(CN3Cc4ccccc4C3)c2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.6017445,False
1159,CC1(C)CC2CCC(C1)N2CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.603348,False
1160,CC12CCCC(CC1)N(CCN1CCN(c3ccccn3)C1=O)C2,[*]N1CCN([*])C1=O,0.40941018,False
1161,CCN(CC)C1COc2c(cccc2-c2cccc(C(=O)O)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.35034624,False
1162,CCN(CC1(C)CCCC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49073026,False
1163,CCN(CCO)C1COc2c(cccc2C(=O)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.30195582,False
1164,COc1cccc(N2CCN(CC=CCNC(=O)c3ccc(OCCF)cc3)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68472624,False
1165,COc1ccccc1N1CCN(CC=CCNC(=O)COc2ccc(-c3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79298925,False
1166,COc1ccccc1N1CCN(CCN2CCN(c3cccc(Cl)c3)CC2)C1=O,[*]N1CCN([*])C1=O,0.7565119,False
1167,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(OCCF)c4)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.32861638,False
1168,O=C(CNCc1ccccc1F)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55434746,False
1169,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccncc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8442485,False
1170,O=C1N(CCN2CC3CCCC2CC3)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.5210125,False
1171,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc(Cl)c(F)c1F,[*]N1CCN([*])C1=O,0.7113615,False
1172,O=C1N(CN2Cc3ccccc3C2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.625556,False
1173,O=C1N(c2ccccc2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.26530385,False
1174,CC1(C)C2CCC1(N1CCN(c3ccc(F)cc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.28824583,False
1175,CCCN(CC)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5891903,False
1176,CCN(C)CCN1CCN(c2ccc(Cl)c3c2OCC3)C1=O,[*]N1CCN([*])C1=O,0.44002646,False
1177,CN1CCCC1CN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5616777,False
1178,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccnc3N)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8591386,False
1179,Cc1cccnc1-c1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9111981,False
1180,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1cccc(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8573296,False
1181,O=C1N(C2CCCNC2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.24475992,False
1182,O=C1N(CCN2CCCc3ccccc32)CCN1c1cccc2cc(Cl)ccc12,[*]N1CCN([*])C1=O,0.42258388,False
1183,O=C1N(CCN2Cc3ccc4ccccc4c3C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5737268,False
1184,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc2ccsc12,[*]N1CCN([*])C1=O,0.8162277,False
1185,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccsc1-c1ccccn1,[*]N1CCN([*])C1=O,0.46820125,False
1186,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.31705204,False
1187,CCCN(CCCN(C)C)C1COc2c(cccc2-c2ccc(OC(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6568276,False
1188,CN(C)Cc1csc(N2CCN(CCN3CCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.47415325,False
1189,CN(Cc1cccc(Cl)c1)CN1CCN(c2ccccc2F)C1=O,[*]N1CCN([*])C1=O,0.33864313,False
1190,COc1ccccc1N1CCN(C2CCN(C(C)C)CC2)C1=O,[*]N1CCN([*])C1=O,0.21084413,False
1191,COc1ccccc1N1CCN(CC=CCNC(=O)CCOc2ccc(F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6888461,False
1192,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.797528,False
1193,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(-c2ccccc2)cs1,[*]N1CCN([*])C1=O,0.87402976,False
1194,O=C1N(c2cccc([N+](=O)[O-])c2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.26416254,False
1195,CCCN(C(C)C)C1COc2c(cccc2-c2ccc(OC(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5913786,False
1196,CCN1CCCC1CNC(=O)c1c(C)ccc(F)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7685614,False
1197,COC1NCCCC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.51950324,False
1198,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(-c3ccc[nH]3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88440156,False
1199,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cc[nH]c1-c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7332745,False
1200,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81757635,False
1201,O=C1N(CCN2CCCCCC2)CCN1c1ccc(OC(F)(F)F)cc1,[*]N1CCN([*])C1=O,0.8355993,False
1202,O=C1N(CCN2CCCc3ccccc32)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.44088355,False
1203,O=C1N(Cc2ccc3c(c2)CN(Cc2ccccc2)C3)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.613149,False
1204,O=C1Nc2ccccc2CN1CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.6026796,False
1205,CC12CCCC(C1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.8187293,False
1206,CCCN(CCCC1(O)CCC(=O)N(C)C1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6292751,False
1207,CCN(C)CCN1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.5987643,False
1208,CCN1CCN(CN2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.2886729,False
1209,CN(Cc1ccccc1)CN1CCN(c2ccccc2C#N)C1=O,[*]N1CCN([*])C1=O,0.33862218,False
1210,Cc1cccc(N2CCN(CCN3Cc4ccccc4NC3=O)C2=O)c1,[*]N1CCN([*])C1=O,0.68313086,False
1211,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9012892,False
1212,O=C(NCC=CCN1CCN(c2cccc(F)c2F)CC1)c1ccc2[nH]ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67442846,False
1213,O=C1N(CC2CCNCC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.61969393,False
1214,C=CCN1CCCC1CNC(=O)c1c(Cl)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.57804316,False
1215,CC1(C)C2CCC1(N1CCN(C3COCCN3)C1=O)CC2,[*]N1CCN([*])C1=O,0.2817651,False
1216,CC1(C)C2CCC1(N1CCN(CCN3CCN(Cc4cccc(Cl)c4)C3=O)C1=O)CC2,[*]N1CCN([*])C1=O,0.40222642,False
1217,CC1CCN(C(=O)CN2CCN(C3COO3)C2=O)CC1,[*]N1CCN([*])C1=O,0.097023815,False
1218,CC1Cc2ccccc2N1C(=O)CCN(Cc1ccc2ccc3ccccc3c2c1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2645275,False
1219,CN(Cc1ccccc1)CN1CCN(c2cccc3cccnc23)C1=O,[*]N1CCN([*])C1=O,0.2550285,False
1220,CN1CCN(CCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7956448,False
1221,CNc1ccc(C(=O)NCC=CCN2CCN(c3cccc(OCCF)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36527023,False
1222,Cc1ccc(Cl)cc1N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.6679886,False
1223,O=C1N(CCN2CCCCCC2)CCN1Cc1cccnc1,[*]N1CCN([*])C1=O,0.64969534,False
1224,O=C1N(CCN2CCCCCC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.68782043,False
1225,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cnoc1,[*]N1CCN([*])C1=O,0.842879,False
1226,CC12CCC(CN(CCN3CCN(c4ccccc4Cl)C3=O)CC1)C2(C)C,[*]N1CCN([*])C1=O,0.59638137,False
1227,CC12CCC(N3CCN(CN4CCN(Cc5cccc(Cl)c5)C4=O)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.28962174,False
1228,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8661642,False
1229,CN1CCCCC1N1CCN(c2ccccc2F)C1=O,[*]N1CCN([*])C1=O,0.30582228,False
1230,COc1cccc(N2CCN(CCN3CCC(C(F)(F)F)CC3Cl)C2=O)c1,[*]N1CCN([*])C1=O,0.6363368,False
1231,Cc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8388237,False
1232,O=C1N(CC2CCNC=N2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.3908346,False
1233,O=C1N(CCN2CCC3CCCC32)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.47308663,False
1234,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccnc(-c2ccccc2)c1,[*]N1CCN([*])C1=O,0.6848718,False
1235,O=C1N(CCc2ccc3c(c2)OCO3)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.46792752,False
1236,CC1C2CCC1CN(CCN1CCN(c3ccc4c(c3)OCO4)C1=O)C2,[*]N1CCN([*])C1=O,0.47443435,False
1237,CN(CN1CCN(c2ccc3c(c2)OCO3)C1=O)CC12CCC1CC2(C)C,[*]N1CCN([*])C1=O,0.5783584,False
1238,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(O)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7365155,False
1239,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4)CC3)oc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35621473,False
1240,COc1ccccc1N1CCN(CCN2CCN(C(C)C)CC2)C1=O,[*]N1CCN([*])C1=O,0.68657684,False
1241,Cc1cc(CN2CCN(c3cccc(CN4CCCC4)c3)C2=O)on1,[*]N1CCN([*])C1=O,0.27557015,False
1242,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1nccc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7934395,False
1243,O=C1N(CC2CCCCN2)CCN1c1ccc(C(F)(F)F)cc1,[*]N1CCN([*])C1=O,0.51001537,False
1244,O=C1N(c2cccc(F)c2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.33498788,False
1245,CC(C)Oc1cccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7064203,False
1246,CC(CN1CCN(c2ccc(Cl)c(Cl)c2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.43937108,False
1247,CC1CCN(CCN2CCN(c3cccc(Cl)n3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7848177,False
1248,CCCN(CC(C)C)C1COc2c(cccc2C(=O)OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.44518173,False
1249,CCN(C(C)=O)C1COc2c(N)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.33361837,False
1250,CN1CCCC1CN1CCN(c2cccc(Cl)n2)C1=O,[*]N1CCN([*])C1=O,0.4284868,False
1251,Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cn1,[*]N1CCN([*])C1=O,0.90381193,True
1252,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.7108086,False
1253,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc(C(F)(F)F)s1,[*]N1CCN([*])C1=O,0.7067875,False
1254,O=C1N(CN2CCC(C(F)(F)F)CC2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.630875,False
1255,O=C1N(Cc2csc3c2CCCN3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.45553273,False
1256,CC(C)N1CCN(CCN2CCN(c3cccc(CN(C)C)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.80911547,False
1257,CC12CCN(CCN3CCN(c4ccccc4Cl)C3=O)C1C1(C)CCC1(C)C2,[*]N1CCN([*])C1=O,0.39700225,False
1258,CCCN(CCCN(C)C)C1COc2c(cccc2OC(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6839897,False
1259,CCCc1ccc(O)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9403705,False
1260,CN(CN1CCN(Cc2ccccc2)C1=O)CC12CCC1CC2(C)C,[*]N1CCN([*])C1=O,0.53462654,False
1261,COC(C)N1CCN(CCN2CCc3ccc(F)cc3C2)C1=O,[*]N1CCN([*])C1=O,0.6609046,False
1262,O=C1N(CCN2CCCCCC2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.90251446,False
1263,O=C1N(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.7839083,False
1264,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(-n2cccn2)c1,[*]N1CCN([*])C1=O,0.7606519,False
1265,CC1(C)C2CCC1(N1CCN(Cc3ccccc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.39232922,False
1266,CC12CCC(N3CCN(CN4CCN(Cc5ccc(Cl)cc5)CC4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.56453556,False
1267,CC1Cc2ccccc2N1CCN1CCN(c2cccc3ncsc23)C1=O,[*]N1CCN([*])C1=O,0.41807488,False
1268,CCCCN(CC)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5410998,False
1269,CCCN(CCCN(C)C)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.64385843,False
1270,Nc1cc(C(=O)NCC=CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44792426,False
1271,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(-c2ccc[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6972507,False
1272,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.58925736,False
1273,O=C1N(c2cccc(C(F)(F)F)c2)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.2435928,False
1274,CC(C)N1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.15627086,False
1275,CC12CCC(N3CCN(CN4CCN(c5cccc(Cl)c5)C4=O)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.5049802,False
1276,CCCN(CN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.25126776,False
1277,CN(CC1CC1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5445147,False
1278,CN1CCN(CCN2CCN(C34CCC(C)(CC3)C4(C)C)C2=O)C1=O,[*]N1CCN([*])C1=O,0.4140201,False
1279,COc1ccc(N2CCN(CN(C)CC34CCC3CC4(C)C)C2=O)cc1,[*]N1CCN([*])C1=O,0.51150185,False
1280,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2c(c1)Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72892934,False
1281,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(-c2ccc(F)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7839602,False
1282,O=C1N(CCN2CCCc3ccccc32)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.4543326,False
1283,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc(F)c1,[*]N1CCN([*])C1=O,0.8755591,False
1284,O=C1N(Cc2cc3ccccc3o2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.5722464,False
1285,C=CCN(CC)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5259199,False
1286,CC(=O)NCCCN(C(C)C)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.23586354,False
1287,CCCN(C)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6305754,False
1288,CN1CCN(CCN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8180451,False
1289,COCC1C2CCC13CCN(CCN1CCN(c4cccc(Cl)c4)C1=O)CC3C2,[*]N1CCN([*])C1=O,0.6787033,False
1290,COc1ccc(N2CCN(CCN(C(C)=O)C3COc4c(cccc4OC)C3)CC2)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.66395867,False
1291,Cc1cc(N2CCN(CCN3CCN(c4ccccc4)CC3)C2=O)on1,[*]N1CCN([*])C1=O,0.7723576,False
1292,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.66928875,False
1293,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.9474825,True
1294,O=C1N(CCc2cccc3c2OCO3)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.60619444,False
1295,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.6007639,False
1296,CCOc1cc(Br)cc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74383897,False
1297,CN(C)Cc1cccc(N2CCN(CCOC3CCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.6368235,False
1298,CN(C)Cc1csc(N2CCN(CCOc3cccc4ccccc34)C2=O)c1,[*]N1CCN([*])C1=O,0.3784545,False
1299,CN(Cc1cc2ccccc2s1)CN1CCN(c2ccccc2C#N)C1=O,[*]N1CCN([*])C1=O,0.36430746,False
1300,CN1CCN(CCN2CCN(Cc3cccc(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6095693,False
1301,CN1CCN(CCN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.74163836,False
1302,COC(C)N1CCN(CN2CCN(Cc3cccc(Cl)c3)C2)C1=O,[*]N1CCN([*])C1=O,0.4469532,False
1303,COc1ccc(Cl)cc1N1CCN(CCN2CCCCCC2)C1=O,[*]N1CCN([*])C1=O,0.58120537,False
1304,COc1ccccc1N1CCN(CC2CCCNCC2)C1=O,[*]N1CCN([*])C1=O,0.37356663,False
1305,Cc1cccc(N2CCN(CC=CCNC(=O)c3cc4ccccc4s3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81551063,False
1306,Cc1ccccc1N1CCN(CC=CCNC(=O)c2cccc([N+](=O)[O-])c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5530285,False
1307,O=C(CNCc1ccccc1)NCC=CCN1CCN(c2cccc(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39045036,False
1308,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)NCc1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74287945,False
1309,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc2ccccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9596002,False
1310,O=C1N(CCOC2CCCC2)CCN1c1cncc(Cl)c1,[*]N1CCN([*])C1=O,0.4678302,False
1311,O=C1N(Cc2cccnc2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.307849,False
1312,CC1(C)C2(C)CN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC12CO,[*]N1CCN([*])C1=O,0.7817743,False
1313,CC1(C)CCC2(CCN(CCN3CCN(c4ccccc4)C3=O)C2)C1,[*]N1CCN([*])C1=O,0.59202707,False
1314,CCCCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5817455,False
1315,CN(CN1CCN(c2ccc(Cl)cc2Cl)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.45326355,False
1316,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc2c(c1)-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7697378,False
1317,O=C1N(CCN2CCCC(C(F)(F)F)CC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.91135275,False
1318,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.7988951,False
1319,O=C1N(Cc2ccc(Cl)cc2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.6273706,False
1320,O=C1Nc2ccccc2CN1CCN1CCN(c2ccc(C(=O)n3cccc3)cc2)C1=O,[*]N1CCN([*])C1=O,0.34577075,False
1321,CC1(C)C2CCC1(N1CCN(CN3CCC(O)C3)C1=O)CC2,[*]N1CCN([*])C1=O,0.3933883,False
1322,CC1(C)CCN(CCN2CCN(c3cccc(-c4cccs4)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8023474,False
1323,CC1CCN(C(C)CN2CCN(c3cccc(Cl)c3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.28130126,False
1324,CCN(C)C1COc2c(cccc2C(=O)c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3200128,False
1325,CCN(CCNC(C)(C)C)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49643654,False
1326,CCc1ccc(O)c(OC)c1C(=O)NCC1CCCN1CC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.67954105,False
1327,Cc1cccc(CN2CCN(C34CCC(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.2974622,False
1328,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc(-c2ccsc2)c1,[*]N1CCN([*])C1=O,0.8725595,False
1329,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc2ncsc2c1,[*]N1CCN([*])C1=O,0.2945139,False
1330,O=C1N(c2cccc3cccnc23)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.2659009,False
1331,CC(=O)NCCCN(C(=O)OC(C)(C)C)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.19067904,False
1332,CCN(CCCN1CCCC(C(=O)OC)C1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46250734,False
1333,CCN1CCC(N2CCN(c3cccc(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5762307,False
1334,CN(Cc1cccs1)CN1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.48496252,False
1335,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(O)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93647254,False
1336,Cc1cc(N2CCN(CC3CCN(Cc4ccccc4)CC3)C2=O)on1,[*]N1CCN([*])C1=O,0.76906836,False
1337,O=C1N(CC2CCCCC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.3875043,False
1338,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2ccoc2c1,[*]N1CCN([*])C1=O,0.8665702,False
1339,O=C1N(CN2CCCCCC2)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.26861197,False
1340,CC1(C)C2CCC1(N1CCN(C3CCN(c4cccc(Cl)c4)OC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.29005566,False
1341,CC12CCC(N3CCN(CCN4CCN(c5cccc(Cl)c5)C4=O)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.7382715,False
1342,CCN1CCCC1CNC(=O)c1c(CCCCl)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.845333,False
1343,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(OCCF)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8350387,False
1344,CN(Cc1cccc(Cl)c1)CN1CCN(C(=O)N2CCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.16061196,False
1345,O=C1N(CC2CNCCO2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.25980756,False
1346,O=C1N(CCN2CC3CCC2Cc2ccccc2C3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.64315355,False
1347,O=C1N(c2ccc(Cl)cc2)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.25873342,False
1348,CC1Cc2ccccc2N1C(=O)CCN(Cc1cccc2ccccc12)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.29051206,False
1349,CN(C)Cc1csc(N2CCN(Cc3cccc(C(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.32529232,False
1350,CN(C)c1cc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)ccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8676498,False
1351,COC(=O)N1CCC(CN(C(C)=O)C2COc3c(cccc3OC)C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.1463811,False
1352,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(N)n3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9640282,False
1353,COc1ccccc1N1CCN(CCN2CCCC(C)(C)C2)C1=O,[*]N1CCN([*])C1=O,0.50622535,False
1354,Cc1ccc(N2CCN(CCN3CCC(C)CC3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.719943,False
1355,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc(-c2cnccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82927746,False
1356,O=C1N(CC2CCCCN2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.5716976,False
1357,O=C1N(CCN2CCCC(C(F)(F)F)C2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.73612887,False
1358,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.73846114,False
1359,CC(C)(C)c1ccc(N2CCN(CCN3CCOCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.42463663,False
1360,CC1(C)CC2CC(C)(CN2CCN2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.58382404,False
1361,CC1CCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.8992999,True
1362,CCCN(CC)C1COc2c(cccc2OC(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48930773,False
1363,CCCN(CCC)C1COc2c(cccc2-c2ccccc2F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7564955,False
1364,CCCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.66202414,False
1365,CCCc1ccc(OC)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.94546366,False
1366,CN(Cc1ccccc1)CN1CCN(Cc2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.38644823,False
1367,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc2ccccc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8721495,False
1368,O=C1N(CCN2CCCc3ccccc32)CCN1c1cccc(-n2ccs2)c1,[*]N1CCN([*])C1=O,0.5310791,False
1369,CC1(C)C2CCC13CCC(C2)N3CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.52493906,False
1370,CC1CCN(C(=O)CN2CCN(C(C)c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.10332335,False
1371,CCCN(C(C)C)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53911716,False
1372,CCCN(CC1CCCC1)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.69732887,False
1373,CCN(CCC(=O)N1CCCCC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.1529803,False
1374,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9756924,False
1375,Cc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c(N)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7169546,False
1376,O=C1CCc2ccc(CCN3CCN(c4cccc5ncsc45)C3=O)cc2N1,[*]N1CCN([*])C1=O,0.38236293,False
1377,O=C1N(CCN2CCCCCC2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.679188,False
1378,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1c1ccccc1CN1CCCCCC1,[*]N1CCN([*])C1=O,0.4644463,False
1379,O=C1N(c2ccc(Cl)c(F)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.29047337,False
1380,O=C1Nc2ccccc2CN1CCN1CCN(c2ccc3c(c2)OCO3)C1=O,[*]N1CCN([*])C1=O,0.54847217,False
1381,CCCN(C)C1COc2c(cccc2-c2ccc3ccccc3c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.644508,False
1382,CCCN(CCC)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7825303,False
1383,CCOc1cccc(N2CCN(C34CCC(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.34798446,False
1384,CN(C)Cc1csc(N2CCN(c3cccc4c3-c3ccccc3CO4)C2=O)c1,[*]N1CCN([*])C1=O,0.34261602,False
1385,COc1cc(F)cc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.76025856,False
1386,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4F)CC3)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6979518,False
1387,Cc1ccc(N2CCN(CN3Cc4ccccc4C3)C2=O)o1,[*]N1CCN([*])C1=O,0.37257555,False
1388,Nc1cccc(CC(=O)NCC=CCN2CCN(c3ccccn3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37857482,False
1389,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9249414,False
1390,O=C1N(CCN2CCCCC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.6627721,False
1391,O=C1N(CCN2CCOCC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.4410309,False
1392,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cncc(Cl)c1,[*]N1CCN([*])C1=O,0.63542956,False
1393,O=C1N(Cc2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.46658182,False
1394,CC(C)N1CCN(CCN2CCN(Cc3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.66889155,False
1395,CC(c1ccccc1)N1CCN(CCN2Cc3ccccc3NC2=O)C1=O,[*]N1CCN([*])C1=O,0.5378047,False
1396,CC1(C)C2CCC1(N1CCN(CC(=O)N3CCN(Cc4ccc(Cl)cc4)C3)C1=O)CC2,[*]N1CCN([*])C1=O,0.282549,False
1397,CC12CCC(N3CCN(Cc4ccc(Cl)cc4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.29103926,False
1398,CCN1CCCC1CNC(=O)c1c(Cc2ccccc2)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.80416006,False
1399,CN1CCN(C23CCC(CC2)C3(C)C)C1=O,[*]N1CCN([*])C1=O,0.32310703,False
1400,CNc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3F)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54499286,False
1401,COc1ccccc1N1CCN(CN2CCN(C(C)C)CC2)C1=O,[*]N1CCN([*])C1=O,0.39900333,False
1402,Cc1cccnc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccn3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39979222,False
1403,Cc1csc(N2CCN(CN(C)Cc3ccccc3)C2=O)n1,[*]N1CCN([*])C1=O,0.22931756,False
1404,O=C1N(CCN2CCCC(C(F)(F)F)CC2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.65715,False
1405,O=C1N(c2ccc(Cl)c(Cl)c2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.3180375,False
1406,CC12CC(CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1)C(C)(C)C2,[*]N1CCN([*])C1=O,0.8234382,False
1407,CC12CC(CN3CCN(c4cccc(Cl)c4)C3=O)NC(C1)C1CC2C1,[*]N1CCN([*])C1=O,0.5953612,False
1408,COc1cccc(N2CCN(CC(C)N3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.3032448,False
1409,COc1cccc(N2CCN(CN(C)CC34CCC(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.53068066,False
1410,O=C(c1cccc(Cl)c1)N1CCN(C2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.17580158,False
1411,O=C1N(CCN2CCCC3(CCNC3=O)C2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.47463796,False
1412,O=C1N(CCN2CCOCC2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.3960447,False
1413,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cc(F)ccc1F,[*]N1CCN([*])C1=O,0.7108552,False
1414,O=C1N(Cc2cccc(Cl)c2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.34585243,False
1415,O=C1Nc2ccccc2CN1CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.5167549,False
1416,C=Cc1cccc2c1OCC(N(CC)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4697036,False
1417,CCCN(CCCN(C)C)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.58226556,False
1418,CCN(C(C)C)C1COc2c(cccc2S(=O)(=O)O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.33351064,False
1419,CN(Cc1cccc(Cl)c1)CN1CCN(CN2CCN(c3cccc(Cl)c3)CC2)C1=O,[*]N1CCN([*])C1=O,0.5043733,False
1420,CN1CCc2cc(CCN3CCN(c4cccc(CN5Cc6ccccc6C5)c4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.6833672,False
1421,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.881529,False
1422,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccncc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.98774445,False
1423,O=C1N(CN2Cc3ccccc3C2)CCN1c1ncccc1-c1cccs1,[*]N1CCN([*])C1=O,0.5171773,False
1424,O=C1N(c2cccc(Cl)c2F)CCN1C(F)(F)F,[*]N1CCN([*])C1=O,0.21828453,False
1425,CC1(C)C(CN2CCN(c3cccc(Cl)c3)C2=O)CC2CCCN21,[*]N1CCN([*])C1=O,0.5266933,False
1426,CC1(C)C2CCC1(N1CCN(C3CNOC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.21344525,False
1427,CC12CCC3(CCN(CCN4CCN(c5cccc(Cl)c5)C4=O)C1C3)CC2,[*]N1CCN([*])C1=O,0.78421175,False
1428,CCN(C(C)C)C1COc2c(cccc2-c2ccccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2689875,False
1429,CCN(CC(C)C)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.33149806,False
1430,COC(C)N1CCN(c2cc(Cl)ccc2F)C1=O,[*]N1CCN([*])C1=O,0.17747056,False
1431,Cc1cccc(N2CCN(CC34CCCC(CC3)C4)C2=O)c1,[*]N1CCN([*])C1=O,0.4738427,False
1432,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(-c2ccsc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6752593,False
1433,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc(OC(F)(F)F)cc1,[*]N1CCN([*])C1=O,0.657578,False
1434,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccsc1-c1ccccn1,[*]N1CCN([*])C1=O,0.5613221,False
1435,O=C1Nc2ccccc2CN1CCN1CCN(c2ccncc2)C1=O,[*]N1CCN([*])C1=O,0.5716707,False
1436,CC1CCC2CC(N3CCN(c4ccccc4Cl)C3=O)CN12,[*]N1CCN([*])C1=O,0.295503,False
1437,Cc1cc(CN2CCN(CN3CCN(Cc4ccccc4)CC3)C2=O)on1,[*]N1CCN([*])C1=O,0.44137177,False
1438,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83331996,False
1439,O=C1N(CC2COCCN2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.24379905,False
1440,O=C1N(CCN2C3CCC2C(CO)C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.36480516,False
1441,O=C1N(CN2CCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.65578645,False
1442,CC1(C)CC2CC(CN3CCN(c4cccc(C(F)(F)F)c4)C3=O)(C2)C1,[*]N1CCN([*])C1=O,0.42967466,False
1443,CCCCc1ccc(O)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8355817,False
1444,CCCN(CC)C1COc2c(cccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.73429185,False
1445,CCCN(CC1CC1)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.63516325,False
1446,COc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97648495,True
1447,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4F)CC3)oc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51527554,False
1448,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5367169,False
1449,O=C1N(CC2CCCNC2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.3631732,False
1450,O=C1N(CCN2CCc3sccc3C2)CCN1Cc1cccc(F)c1,[*]N1CCN([*])C1=O,0.6123991,False
1451,CC1(C)C2CCC1(N1CCN(CN3CCN(Cc4ccc(Cl)cc4)C3)C1=O)CC2,[*]N1CCN([*])C1=O,0.49867624,False
1452,CC1(C)CC23CCCN(CCN4CCN(c5ccccc5Cl)C4=O)CC2C1C3,[*]N1CCN([*])C1=O,0.40985277,False
1453,CC12CCC(N3CCN(C4COOC4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.24467725,False
1454,CCCN(CC1CC1)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.72442985,False
1455,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2cc3cccc(OC)c3o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7541569,False
1456,CN1CCCCCC1N1CCN(c2ccccn2)C1=O,[*]N1CCN([*])C1=O,0.24913052,False
1457,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cccs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77322716,False
1458,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc2occc2c1,[*]N1CCN([*])C1=O,0.80541605,False
1459,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(F)cc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.8695255,False
1460,O=C1N(CN2Cc3ccccc3C2)CCN1c1nsc2ccc(Cl)cc12,[*]N1CCN([*])C1=O,0.4681652,False
1461,CC(CN1CCN(c2cccc(Cl)c2Cl)C1=O)N1CCC(C(F)(F)F)CC1,[*]N1CCN([*])C1=O,0.26653042,False
1462,CC12CCC(N3CCN(CCN4CCN(Cc5cccc(F)c5)C4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.5945021,False
1463,CCCN(CCC)C1COc2c(cccc2-c2ccc(O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7734843,False
1464,CCN(C)CCN1CCN(C2CCOC2)C1=O,[*]N1CCN([*])C1=O,0.4984499,False
1465,CCN1CCCC1CNC(=O)c1c([N+](=O)[O-])ccc(Cl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.69743943,False
1466,CN(Cc1cccc(Cl)c1)CN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.39003843,False
1467,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3N(C)C)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33809218,False
1468,O=C1N(CN2CCc3ccccc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.55130386,False
1469,O=C1N(c2ccccc2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.2975343,False
1470,C=CCN1CCCC1CNC(=O)c1c(C)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.54886293,False
1471,CC(C)(C)Cc1cccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7022568,False
1472,CC1CN(CCN2CCN(CN3Cc4ccccc4C3)C2=O)Cc2ccccc21,[*]N1CCN([*])C1=O,0.8280331,False
1473,CCCCN(CCC)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7748629,False
1474,COc1ccc2cc(N3CCN(CCN4Cc5ccccc5NC4=O)C3=O)ccc2c1,[*]N1CCN([*])C1=O,0.60760397,False
1475,COc1cccc(CN2CCN(C34CCC(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.32088888,False
1476,COc1cccc2c1OCC(N(CCC(=O)N1CCC(C)CC1)c1ccc(F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.2251603,False
1477,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8861259,False
1478,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9598872,False
1479,O=C1N(c2cccc(OC(F)(F)F)c2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.26573217,False
1480,CC(C)N(CC1CC1)C1COc2c(cccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62735337,False
1481,CN(CN1CCN(c2ccc(F)cc2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.5762049,False
1482,CN1C(CN2CCN(c3cccc(Cl)c3)C2=O)CC2CC1CC2(C)C,[*]N1CCN([*])C1=O,0.6879437,False
1483,Cc1ccc(N2CCN(CCN3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.7613994,False
1484,Cc1cccnc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(F)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77087426,False
1485,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1cccc(-c2ccsc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8434248,False
1486,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cncc(-c2ccco2)c1,[*]N1CCN([*])C1=O,0.63171464,False
1487,C=CCN1CCCC1CNC(=O)c1c(-c2ccccc2)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.504734,False
1488,CC(C)N1CCN(CCN2CCN(c3ccc(O)c(C(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7367601,False
1489,CCN(CCN1CCN(c2cccc(Cl)c2)C1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.73412675,False
1490,CN(C)Cc1csc(N2CCN(C(=O)c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.15039027,False
1491,Cc1cc(F)cc(N2CCN(CCN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.7357334,False
1492,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97599757,True
1493,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc(-c2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87986726,False
1494,O=C(NCC=CCN1CCN(c2ccccc2CNCCF)CC1)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7377401,False
1495,O=C1N(CCN2CCOCC2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.2430977,False
1496,O=C1N(CN2Cc3ccccc3C2)CCN1c1[nH]nc2ccccc12,[*]N1CCN([*])C1=O,0.5435882,False
1497,CC1(C)C2CCC1(N1CCN(C3CCCCC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.22164907,False
1498,CC1Cc2ccccc2N1C(=O)CCN(Cc1ccc2c(c1)-c1ccccc1C2)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.28529745,False
1499,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c3ccc(OC)cc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87391394,False
1500,CN1CCCC1CN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.39872408,False
1501,COc1cccc(N2CCN(CC3CN(C)CCN3C(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.5055995,False
1502,COc1cccc2c1OCC(N(CCC(=O)N1CCC(C)CC1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.19568335,False
1503,COc1cccc2c1OCC(N(CCN1CCN(C(=O)c3ccc4ccccc4c3)C1=O)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3718983,False
1504,Cc1ccc(CN2CCN(CCN3CCc4ccccc4N3)C2=O)s1,[*]N1CCN([*])C1=O,0.44525662,False
1505,O=C1CC2(CCCC2)CC(=O)N1CCCN(CCc1ccccc1)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5674606,False
1506,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2cc(F)ccc2c1,[*]N1CCN([*])C1=O,0.8967139,False
1507,C=CCN1CCCC1CNC(=O)c1c(OC)ccc(CCC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6246587,False
1508,CC1(C)C2CCC13CCC(C2)N3CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.42449576,False
1509,CC1c2ccccc2CN1CN1CCN(c2ccc(C(F)(F)F)s2)C1=O,[*]N1CCN([*])C1=O,0.5059478,False
1510,CCCN(CC1CC2(CCCC2)CC(=O)N1C)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43318534,False
1511,COc1cccc(N2CCN(CCN(C)CC34CCC(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.82858014,False
1512,O=C1N(CC(=O)N2CCc3c(F)cccc32)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.17834185,False
1513,O=C1N(CCN2CCCCCC2)CCN1c1ccc(F)cc1CF,[*]N1CCN([*])C1=O,0.7012499,False
1514,O=C1N(CCN2Cc3ccccc3O2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.58345526,False
1515,CC(=O)CN(C(C)C)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.28889588,False
1516,CC12CCC(N(CCN3CCN(c4ccc(Cl)cc4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.5437077,False
1517,CC1CCN(CCN2CCN(c3ccc4c(c3)OCO4)C2=O)C(C)C1,[*]N1CCN([*])C1=O,0.550972,False
1518,CCN(CC)CCN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.70528525,False
1519,COc1cccc(N2CCN(CCN3CC4CCC(C3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.74812573,False
1520,COc1ccccc1N1CCN(CCN2CCCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.4472021,False
1521,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc(-c4ccccc4)c3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7944435,False
1522,Cc1csc(N2CCN(CCN3c4ccccc4CC3C)C2=O)c1,[*]N1CCN([*])C1=O,0.47513258,False
1523,O=C1N(CC2CCCCN2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5710695,False
1524,O=C1N(CCN2CC3CCC(CC3)C2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.6146399,False
1525,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc([N+](=O)[O-])c1,[*]N1CCN([*])C1=O,0.6292995,False
1526,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccnc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.40676868,False
1527,C=CCN1CCCC1CNC(=O)c1c(CCCC)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6149656,False
1528,CC1CCN(C(=O)CCN(C(C)C)C2COc3c(cccc3[N+](=O)[O-])C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.15953383,False
1529,CCc1ccc(-c2ccccc2)c(C(=O)NCC2CCCN2C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27009544,False
1530,CN(C)Cc1cccc(N2CCN(CCN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.9173939,False
1531,Cc1ccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.7323739,False
1532,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccc(-c4ncc[nH]4)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7917492,False
1533,Cc1csc(N2CCN(CCN3C(=O)Cc4ccccc43)C2=O)n1,[*]N1CCN([*])C1=O,0.42545348,False
1534,O=C1N(CC2CCCN2CCF)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.46700215,False
1535,O=C1N(CN2CCc3ccccc3C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.54281217,False
1536,CN(CCN1CCN(c2ccc3c(c2)OCO3)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.5526957,False
1537,CN(Cc1cccs1)CN1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.3836308,False
1538,CN1CCN(Cc2ccc(Cl)cc2)C1N1CCN(C23CCC(CC2)C3(C)C)C1=O,[*]N1CCN([*])C1=O,0.32703355,False
1539,COc1cccc2c1OCC(N(CC1CCOC1)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.23668684,False
1540,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccncc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9881088,False
1541,Cc1cc(CN(C)CN2CCN(c3ccccc3Cl)C2=O)on1,[*]N1CCN([*])C1=O,0.2104231,False
1542,Cc1cscc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.79972625,False
1543,O=C(NCC=CCN1CCN(c2ccccc2CCF)CC1)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.788018,False
1544,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccccc1O,[*]N1CCN([*])C1=O,0.73328954,False
1545,O=C1N(CCN2CCCC(CF)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.83156866,False
1546,CC12CCC(CC1)N(CCN1CCN(c3ccccc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.42464632,False
1547,CCCN(CC1CCC1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6599191,False
1548,CCN(C)CCN1CCN(c2cccc(Cl)n2)C1=O,[*]N1CCN([*])C1=O,0.526327,False
1549,CCN1CCCC1CNC(=O)c1c(CCCF)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.770314,False
1550,CN(C)c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82266575,False
1551,CN(Cc1cccc(Cl)c1)CN1CCN(C2CCN(Cc3ccccc3)CC2)C1=O,[*]N1CCN([*])C1=O,0.6966821,False
1552,Cc1nc2ccc(N3CCN(CCN4CCc5ccccc5N4)C3=O)cc2s1,[*]N1CCN([*])C1=O,0.45323706,False
1553,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccccc1-c1cccs1,[*]N1CCN([*])C1=O,0.79255956,False
1554,O=C1N(c2ccc(Cl)cc2)CCN1C(F)(F)F,[*]N1CCN([*])C1=O,0.21924436,False
1555,O=Cc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8035899,False
1556,C=CN1CCCC1CNC(=O)c1c(-c2ccccc2)ccc(CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.24495618,False
1557,CC(C)N1CCN(CCN2CCN(c3ccc(F)s3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7245624,False
1558,COc1cccc(N2CCN(CC3CCNCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.56437093,False
1559,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8722306,False
1560,Cc1c(Cl)cccc1N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.64866257,False
1561,Cc1ccc(CN2CCN(c3ccc(Cl)cc3)C2=O)s1,[*]N1CCN([*])C1=O,0.22382662,False
1562,Cc1ccccc1N1CCN(CC=CCNC(=O)c2cccnc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6165098,False
1563,N#Cc1ccc(N2CCN(CCN3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.7620101,False
1564,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1cccs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8695232,False
1565,O=C1N(CCN2CCC(C(F)(F)F)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8857221,False
1566,O=C1N(CCN2CCCCCC2)CCN1c1ccc(F)cc1Cl,[*]N1CCN([*])C1=O,0.6816321,False
1567,CC1(C)C2CCC1(N1CCN(CCN3CCN(Cc4ccccc4)C3)C1=O)CC2,[*]N1CCN([*])C1=O,0.5861208,False
1568,CCCN(C(C)C)C1COc2c(cccc2C(=O)c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41322437,False
1569,CN(C)CCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.49823964,False
1570,CN(Cc1cccc(Cl)c1)CN1CCN(C2COOC2)C1=O,[*]N1CCN([*])C1=O,0.37247318,False
1571,COc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4ccccc4CCF)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73061997,False
1572,COc1ccccc1N1CCN(C2CCCCN(C)C2)C1=O,[*]N1CCN([*])C1=O,0.31793725,False
1573,Nc1cc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8388814,False
1574,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.7027214,False
1575,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccccc1-c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.6792437,False
1576,C=CCN1CCCC1CNC(=O)c1c(F)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6001364,False
1577,CC(C)c1cccc(N2CCN(CCN3CCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.51731086,False
1578,CC1(C)C2CCC1(CN1CCN(c3ccccc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.4437555,False
1579,CC1(C)CC2CCN1C(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.5672685,False
1580,CCN(CCC(=O)N1CCC(C)CC1)C1COc2c(cccc2C(N)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2383649,False
1581,CCN1CCC(N2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5132242,False
1582,CN(C)c1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75929546,False
1583,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9434264,False
1584,O=C1N(C2CCOC2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.23351131,False
1585,O=C1N(CN2CCCC(Oc3ccccc3)C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.5252255,False
1586,CC(C)N1CCN(C(C)CN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.31867945,False
1587,CC(CN1CCN(c2ccc(F)c(Cl)c2)C1=O)N1CCCCC1,[*]N1CCN([*])C1=O,0.262288,False
1588,CC12CC3CCC1(CCN(CCN1CCN(c4cccc(Cl)c4)C1=O)C2)C3(C)C,[*]N1CCN([*])C1=O,0.7826064,False
1589,CC1CCCCN1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.54043573,False
1590,CC1CCCN(CCN2CCN(c3cccc(Cl)c3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.578435,False
1591,CCCN(CCC)C1COc2c(cccc2OC(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5602622,False
1592,CCN(CC)C1COc2c(cccc2C(=O)c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.35132197,False
1593,CN1CCN(CCN2CCN(c3cccc(Cl)n3)C2=O)CC1,[*]N1CCN([*])C1=O,0.77724624,False
1594,Cc1cccc(N2CCN(CCN3CC4CCC(C)(C3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.739214,False
1595,Cc1cccc(N2CCN(CCN3CCC4CCC3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.5891582,False
1596,Nc1ccc(C(=O)NCC=CCN2CCN(c3cccc(OCCF)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43059638,False
1597,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cc(Cl)ccn1,[*]N1CCN([*])C1=O,0.6369403,False
1598,CC1(C)C2CCC1(N1CCN(c3cc(Cl)cc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.30616325,False
1599,CC1(C)CCN(CCN2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.60373366,False
1600,CCCN(CC)C1COc2c(cccc2-c2ccc(C(=O)OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.44685483,False
1601,CCCN(CC1CCCC1)C1COc2c(cccc2-c2cccc(OC)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56480867,False
1602,CCN(CC)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.55299765,False
1603,CN(C)Cc1cccc(N2CCN(CCN3CCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.54805326,False
1604,COc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8344815,True
1605,COc1cccc(N2CCN(C(C)N3CCN(C(C)C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.17085242,False
1606,COc1cccc(N2CCN(CN(C)Cc3cccs3)C2=O)c1,[*]N1CCN([*])C1=O,0.40817007,False
1607,O=C1N(CCN2Cc3ccccc3C2)CCN1c1csc2ccc(F)cc12,[*]N1CCN([*])C1=O,0.71434,False
1608,CC(=O)n1cc(N2CCN(CCN3CCc4ccccc4C3)C2=O)c2ccccc21,[*]N1CCN([*])C1=O,0.45340744,False
1609,CC1CCN(C(=O)CCN(c2ccc3ccccc3c2)C2COc3c(F)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.23594776,False
1610,CN1CCCCC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7858763,True
1611,COc1ccc(CN2CCN(C34CCC(C)(CC3)C4(C)C)C2=O)cc1,[*]N1CCN([*])C1=O,0.26623756,False
1612,COc1cccc(CN2CCN(Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.34347954,False
1613,Cc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccc(N(C)C)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6456763,False
1614,O=C1N(CC2CCN3Cc4ccccc4CCC23)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.4658333,False
1615,O=C1N(CCN2Cc3ccccc32)CCN1c1cccc2cccnc12,[*]N1CCN([*])C1=O,0.49124703,False
1616,CC1(C)C2CCC1(N1CCN(C3CCOC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.23877788,False
1617,CC1(C)C2CCC1(N1CCN(CCc3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.37026575,False
1618,CCCN(C(C)C)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6310486,False
1619,CCCN(CC1CCN(C2CCCC23CC(=O)C(=O)C3)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5205592,False
1620,CN(Cc1cccs1)CN1CCN(C2c3ccccc3CN2C)C1=O,[*]N1CCN([*])C1=O,0.56098294,False
1621,COc1cccc(N2CCN(CC3CCCCCN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.5385743,False
1622,COc1cccc(N2CCN(CC=CCNC(=O)c3ccc4cc(OC)ccc4c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35793477,False
1623,COc1cccc2c1OCC(N(CC(=O)C1c3ccccc3CCN1C(C)=O)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.29112014,False
1624,O=C1N(CC2COCCN2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.2061345,False
1625,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.5460636,False
1626,O=C1N(CN2CCCCCC2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.30757275,False
1627,C=CCN(C(C)C)C1COc2c(cccc2C(=O)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.224751,False
1628,C=CCN(CC1CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.58648336,False
1629,CC(C)N1CCCC(N2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.19346137,False
1630,CC1(C)C2CCC13CCN(CCN1CCN(c4ccccc4Cl)C1=O)C2C3,[*]N1CCN([*])C1=O,0.4481463,False
1631,CC1(C)C2CCC1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.8321659,False
1632,CCN1CCN(CCN2CCN(c3cccc(OC)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7202892,False
1633,CN(C)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7633863,False
1634,CNc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87230074,False
1635,COc1ccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.7292153,False
1636,O=C1N(CC2CCCCC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.41969,False
1637,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccc2cccnc2c1,[*]N1CCN([*])C1=O,0.42505533,False
1638,O=C1N(Cc2cccc(Cl)c2F)CCN1CN1CCCN(c2ccccc2)C1,[*]N1CCN([*])C1=O,0.36455974,False
1639,O=C1Nc2ccccc2CN1CCN1CCN(c2cccc3c2CCO3)C1=O,[*]N1CCN([*])C1=O,0.49679124,False
1640,CC(C)N1CCN(CCN2CCN(c3cc(F)cc(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7817386,False
1641,CC1COCC12CCCN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7011157,False
1642,CCCN(CC(=O)N1CCN(c2cccc3ccccc23)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2107412,False
1643,CCCN(CC)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.70473766,False
1644,CN(CCN1CCN(Cc2cccc(Cl)c2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.48386234,False
1645,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1ccccn1,[*]N1CCN([*])C1=O,0.68460995,False
1646,COc1cccc2c1OCC(N(CCC(=O)N1c3ccccc3CC1C)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.24436644,False
1647,Cc1cccc(N2CCN(CCN3CCCCC3C)C2=O)c1,[*]N1CCN([*])C1=O,0.57136196,False
1648,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9483249,False
1649,CC(=O)n1ccc(N2CCN(CCN3CCN(C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.56072474,False
1650,CC(C)N1CCN(CCN2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8214717,False
1651,CC1(C)C2CCC1(N1CCN(CN3CCCC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.30195394,False
1652,CC1(C)CCN(CCN2CCN(c3ccccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.65472496,False
1653,CC12CC3CC1CCN(CCN1CCN(c4cccc(Cl)c4)C1=O)C2C3,[*]N1CCN([*])C1=O,0.8063119,False
1654,CCCN(CC1=CCC(NC(=O)OC(C)(C)C)C1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3736187,False
1655,CCCN(CC1CCCC1)C1COc2c(cccc2C(=O)OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37203094,False
1656,COc1cc(Cl)ccc1N1CCN(CCOC2CCCC2)C1=O,[*]N1CCN([*])C1=O,0.44742668,False
1657,COc1ccc2oc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7569992,False
1658,O=C1N(CCN2C3CCC2(c2ccccc2)C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.748601,False
1659,O=C1N(CCN2C3CCC2CC3)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.5488381,False
1660,CC1(C)C2CCC1(N1CCN(CN3CCN(c4cc(Cl)cc(Cl)c4)C3=O)C1=O)CC2,[*]N1CCN([*])C1=O,0.34919754,False
1661,COc1ccccc1CN1CCN(CC=CCNC(=O)c2cccc(-c3ccc(C)cc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.17355695,False
1662,NC(=O)c1cccc(N2CCN(C3CCC[S+]([O-])C3)C2=O)c1,[*]N1CCN([*])C1=O,0.1388973,False
1663,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2cc(O)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9647708,True
1664,O=C1N(CCN2Cc3ccc(F)cc3C2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.71584743,False
1665,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cncc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.8320671,False
1666,CC1CCN(C(=O)CCN(c2ccccc2)C2COc3c(F)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.23473647,False
1667,CCCN(CC)C1COc2c(cccc2-c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7520987,False
1668,CCN(CCCCN1C(=O)CC2(CCCC2)N(C)C1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.469866,False
1669,CNc1ccc(C(=O)NCC=CCN2CCN(c3ccccn3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44708422,False
1670,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9635756,False
1671,Cc1ccc(N2CCN(C3CCN(Cc4ccccc4)CC3)C2=O)o1,[*]N1CCN([*])C1=O,0.55981106,False
1672,Cc1csc(N2CCN(CCN3C(=O)NC(C(F)(F)F)c4ccccc43)C2=O)n1,[*]N1CCN([*])C1=O,0.28898758,False
1673,O=C1N(CC2CCCCN2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.531005,False
1674,O=C1N(CCN2CC3CCCCC2C3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5446058,False
1675,O=C1N(c2cccnc2)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.23104529,False
1676,CCCN(C(C)C)C1COc2c(cccc2-c2ccc(Br)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.637584,False
1677,CCN1CCC(N2CCN(c3ccc(Cl)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.54716974,False
1678,CN(C)Cc1csc(N2CCN(CC3Cc4ccccc4C3=O)C2=O)c1,[*]N1CCN([*])C1=O,0.5186717,False
1679,COCC1C2CC1CN(CCN1CCN(c3ccccc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.57368976,False
1680,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(OCCF)c4CF)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59721535,False
1681,COc1cccc(N2CCN(CCN3CCC(C(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8769745,False
1682,COc1cccc2c1OCC(N(CCN1CCN(C(=O)c3ccc4ccccc4c3)CC1)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.35835373,False
1683,O=C1N(CCOC2CCCC2)CCN1c1ccc2c(c1)OCC2,[*]N1CCN([*])C1=O,0.5340413,False
1684,CC(C)c1cccc(N2CCN(CC3COCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.38185436,False
1685,CC1(C)C2CCC1(N1CCN(C3CCNC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.26791933,False
1686,CC1(C)CC2N(CCN3CCN(c4cccc(Cl)c4)C3=O)CC2(C)C1,[*]N1CCN([*])C1=O,0.8038805,False
1687,COc1cccc2c1OCC(N(CCN1CCN(c3ccc(F)cc3)CC1=O)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.35911623,False
1688,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(Br)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79780245,False
1689,O=C1N(CC2CCCCN2)CCN1c1cccc(Cl)n1,[*]N1CCN([*])C1=O,0.50258815,False
1690,O=C1N(CCN2C3CCCC2CC3)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.54818934,False
1691,O=C1N(CCN2C3CCCC2CC3)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.3845733,False
1692,O=C1N(CCN2CCC(c3ccccc3)C2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.7119638,False
1693,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccc(F)cc1Cl,[*]N1CCN([*])C1=O,0.5632629,False
1694,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(F)c(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.9159684,False
1695,C=CCN1CCCC1CNC(=O)c1c(OC)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.62487143,False
1696,CC12CCC(N3CCN(Cc4ccccc4Cl)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.26389918,False
1697,CC1CCCCN(CCN2CCN(c3cccc(C(F)(F)F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.7772131,False
1698,CC1Cc2ccccc2N1C(=O)CCN(Cc1ccc2c(c1)OCCO2)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.26107615,False
1699,CCN(CC)C1COc2c(Cc3cccc(OC)c3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5017538,False
1700,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(Br)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7305133,False
1701,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.53757286,False
1702,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(F)c(Cl)cc1F,[*]N1CCN([*])C1=O,0.84395856,False
1703,CC1(C)CC2CC(CN(CCN3CCN(c4ccccc4)C3=O)C2)C1,[*]N1CCN([*])C1=O,0.7024109,False
1704,CCN(C(C)C)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40814465,False
1705,CN1CCCCC1N1CCN(Cc2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.32177693,False
1706,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92297375,True
1707,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4F)CC3)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.593263,False
1708,Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.8739135,False
1709,N#Cc1cccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1F,[*]N1CCN([*])C1=O,0.9062078,False
1710,O=C1N(CCN2CC3CCC2C3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.63780797,False
1711,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(Cl)n1,[*]N1CCN([*])C1=O,0.7243163,False
1712,O=C1N(CCN2CCc3ccccc3N2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.57821906,False
1713,CCCN(CCCC(=O)N1C(=O)CC2(CCCC2)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49937084,False
1714,CN(C)Cc1cccc(N2CCN(CCc3ccc4c(c3)NC(=O)CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.5282391,False
1715,CN(Cc1cc2ccccc2s1)CN1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.35011393,False
1716,COc1ccccc1N1CCN(c2cccc(CN(C)C)c2)C1=O,[*]N1CCN([*])C1=O,0.3156218,False
1717,O=C(NCC=CCN1CCN(c2cccc(F)c2F)CC1)c1cccc(CCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70523256,False
1718,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cccc(OCCF)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9357985,False
1719,O=C1N(C2CCC[S+]([O-])C2)CCN1C1CCCN1,[*]N1CCN([*])C1=O,0.24544206,False
1720,O=C1N(CCOC2CCCN2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.42445844,False
1721,O=C1N(Cc2cc3ccccc3s2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.5698612,False
1722,O=C1N(Cc2cccc(Cl)c2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.38191462,False
1723,CC(C)Oc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8474348,True
1724,CCCCN(CCC)C1COc2c(cccc2-c2cccc(OC)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7173806,False
1725,CN(Cc1ccccc1)CN1CCN(Cc2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.30685532,False
1726,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(N)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9363983,False
1727,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(O)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9368442,False
1728,Cc1cccc(N2CCN(CC=CCNC(=O)CNCc3ccccc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63471484,False
1729,Cc1cccc(N2CCN(CCN3CCC4CCC(C4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6541599,False
1730,Nc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3F)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7677804,False
1731,O=C1N(CCN2CCCCCC2)CCN1c1ccc(-c2cccnc2)cc1,[*]N1CCN([*])C1=O,0.8224989,False
1732,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc(Cl)s1,[*]N1CCN([*])C1=O,0.6763753,False
1733,CC1(C)C2CCC1(N1CCN(C3CCN(Cc4ccccc4)C3)C1=O)CC2,[*]N1CCN([*])C1=O,0.63978136,False
1734,CC1CCCCN1CCN1CCN(c2ccccc2F)C1=O,[*]N1CCN([*])C1=O,0.4425942,False
1735,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36202952,False
1736,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2N(C)C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90006846,False
1737,Cc1cc(N2CCN(CCN3CCc4ccccc4N3)C2=O)cs1,[*]N1CCN([*])C1=O,0.56951135,False
1738,Cc1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.70019114,False
1739,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1cccc2sccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85659957,False
1740,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(F)c(F)c1F,[*]N1CCN([*])C1=O,0.8066835,False
1741,CC1(C)C2CCC3N(CCN4CCN(c5ccccc5Cl)C4=O)C(C2)C31C,[*]N1CCN([*])C1=O,0.4373299,False
1742,CCCN(C(C)C)C1COc2c(Cc3ccsc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.68098146,False
1743,CN(C)CCN1CCN(c2ccc(C(F)(F)F)cc2)C1=O,[*]N1CCN([*])C1=O,0.4952694,False
1744,CN(C)c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96008855,True
1745,COC(=O)c1cccc2c1OCC(N(CCC(=O)N1CCC(C)CC1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.19465844,False
1746,COCC1C2CCC1CN(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.63258034,False
1747,COc1c(C(=O)NCCN2CCN(c3ccc(C)c(C)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.85934514,False
1748,Cc1cccc(N2CCN(CN(C)Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.4104052,False
1749,O=C1N(CC(F)(F)F)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.37531036,False
1750,O=C1N(CC2CCCNC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.54284126,False
1751,CC(C)Oc1cccc(CN2CCN(CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.5041023,False
1752,CC1CCN(C(=O)CCN(Cc2ccccc2)C2COc3c(cccc3C(=O)O)C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.19704276,False
1753,CCCN(C(C)C)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.68368524,False
1754,CN(C)Cc1cccc(N2CCN(CC3Cc4ccccc4CN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.45786694,False
1755,CN(C)Cc1csc(N2CCN(C3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.44240043,False
1756,Cc1csc(N2CCN(C3CCN(Cc4ccccc4)CC3)C2=O)n1,[*]N1CCN([*])C1=O,0.63365406,False
1757,Cc1nc2ccc(N3CCN(CCN4CCc5ccccc5C4)C3=O)cc2s1,[*]N1CCN([*])C1=O,0.54944116,False
1758,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9159391,False
1759,O=C1N(CC2CCCNC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.4283642,False
1760,O=C1N(CC2CCNC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.71692425,False
1761,O=C1N(CCN2CC3CCC(Cc4ccccc4C3)C2)CCN1c1cccc(Cl)n1,[*]N1CCN([*])C1=O,0.5612459,False
1762,CC1(C)CCC2CCC1N2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.75393945,False
1763,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(OCCF)ccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92227376,False
1764,COc1ccccc1N1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.31317434,False
1765,Cc1cccc(N2CCN(CCN3CCCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7744815,False
1766,Cc1coc(CN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)n1,[*]N1CCN([*])C1=O,0.67592525,False
1767,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9627235,False
1768,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.9008722,True
1769,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc([N+](=O)[O-])cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7013073,False
1770,O=C1N(CCN2CCCc3ccccc32)CCN1C1CCc2ccccc21,[*]N1CCN([*])C1=O,0.46951553,False
1771,O=C1N(CCN2CCNCC2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.5073316,False
1772,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccno1,[*]N1CCN([*])C1=O,0.83305687,False
1773,CC1CCN(CCN2CCN(c3cccc(Cl)c3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.80267775,False
1774,CN(C)Cc1cccc(N2CCN(CC3CCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.61240757,False
1775,CN(Cc1cccc2c1COC2)CN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.43040234,False
1776,O=C1N(CCN2CCCc3ccccc32)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.45569068,False
1777,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.659663,False
1778,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.5857729,False
1779,CCc1ccc(-c2ccccc2)c(C(=O)NCC2CCCN2C2CCN(Cc3ccccc3)CC2)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.47813085,False
1780,CN(C)Cc1csc(N2CCN(Cc3cc4ccccc4s3)C2=O)c1,[*]N1CCN([*])C1=O,0.31584284,False
1781,CN(Cc1cccs1)CN1CCN(c2ccccc2CN2CCCC2)C1=O,[*]N1CCN([*])C1=O,0.41366744,False
1782,CN1CCCCC1CN1CCN(c2cccc(Cl)n2)C1=O,[*]N1CCN([*])C1=O,0.45122787,False
1783,CN1CCN(CCN2CCN(c3cccc(Cl)c3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.7921965,False
1784,COc1ccc2c(c1)CN(CCN1CCN(c3cccc(CN(C)C)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.66103655,False
1785,COc1cccc(N2CCN(CCN3CCC4(CCCC4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.747537,False
1786,Cc1ccc(-c2cccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8138413,False
1787,O=C(NCC=CCN1CCN(CCOc2ccccc2)CC1)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39505205,False
1788,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.7784468,False
1789,CC1CCCCN1CCN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5908617,False
1790,CCCCN(CCC)C1COc2c(cccc2-c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7319464,False
1791,CCCN(CCC)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.82684714,False
1792,CCc1ccc(CC)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9194858,False
1793,CN(CCN1CCN(c2ccc(Cl)cc2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.7412202,False
1794,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc(-c4ccccn4)c3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81289536,False
1795,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccc(F)cc1F,[*]N1CCN([*])C1=O,0.74028593,False
1796,O=C1N(CCN2CCC3CCC(C3)C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.677377,False
1797,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccc(C(F)(F)F)cc1,[*]N1CCN([*])C1=O,0.6320544,False
1798,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc2cc(F)ccc12,[*]N1CCN([*])C1=O,0.5508199,False
1799,CCN(C)CCN1CCN(c2cccc(C)c2)C1=O,[*]N1CCN([*])C1=O,0.6559839,False
1800,CN(C)Cc1csc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8125842,False
1801,CN1CCN(CCN2CCN(c3cc(F)cc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7460997,False
1802,COc1c(Cl)ccc(Br)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.26857474,False
1803,COc1cccc(C2CCCN(CN3CCN(c4cccc(OC)c4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.6164936,False
1804,N#Cc1ccc(N2CCN(CCN3CCc4ccccc4N3)C2=O)cc1F,[*]N1CCN([*])C1=O,0.61299926,False
1805,O=C(CNc1ccccc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.741534,False
1806,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2cccc(O)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9081384,False
1807,O=C(NCC=CCN1CCN(c2cccs2)CC1)c1cc2ccccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.48040637,False
1808,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.6325003,False
1809,O=C1N(CN2Cc3ccccc3C2)CCN1c1csc(-c2ccccn2)c1,[*]N1CCN([*])C1=O,0.51679116,False
1810,CC(C)C12CN(CCN3CCN(c4ccccc4Cl)C3=O)C3CCC(C)(C1)C2C3,[*]N1CCN([*])C1=O,0.38004282,False
1811,CCCN(CCN1CCN(C(=O)c2ccc3ccccc3c2)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46504256,False
1812,CN(Cc1cccs1)CN1CCN(CC(=O)N2CCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.1468031,False
1813,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(OCCF)ccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87633187,False
1814,Cc1cccc(N2CCN(CCN(C)CC34CCC(CC3)C4)C2=O)c1,[*]N1CCN([*])C1=O,0.5905155,False
1815,O=C1N(C2COc3ccccc3C2)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.39714125,False
1816,O=C1N(CCN2C3CCCC2CCC3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.4577981,False
1817,CC1(C)C2CCC1(N1CCN(CN3CCN(c4cccc(Cl)c4)C3)C1=O)CC2,[*]N1CCN([*])C1=O,0.51466656,False
1818,CC1CCN(CCN2CCN(Cc3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7460461,False
1819,CCCN(C)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6013533,False
1820,COc1c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9238796,False
1821,COc1cccc(N2CCN(CC(=O)N3CCC(C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.17400438,False
1822,COc1ccccc1N1CCN(c2cc(Cl)ccc2F)C1=O,[*]N1CCN([*])C1=O,0.23292542,False
1823,O=C1N(CCN2CC3CCC(Cc4ccccc4C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7365267,False
1824,O=C1N(c2ccc(F)cc2)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.25667247,False
1825,C=CCN1CCCC1CNC(=O)c1c(CCCl)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.63127756,False
1826,CC1(C)C2CCC3(CCN(CCN4CCN(c5ccccc5Cl)C4=O)C31)C2,[*]N1CCN([*])C1=O,0.3549918,False
1827,CC1(C)CC2CC(C)(CCN2CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.8530634,False
1828,COC(=O)c1cccc(N2CCN(CCOC3CCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.31232408,False
1829,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccc(-c4cccc(F)n4)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78480625,False
1830,Cc1csc(N2CCN(C3CCN(Cc4ccccc4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.65149087,False
1831,N#Cc1cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cs1,[*]N1CCN([*])C1=O,0.8496935,False
1832,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1c[nH]c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89679605,False
1833,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79753494,False
1834,O=C1N(CN2CCCCC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.34686616,False
1835,O=C1N(Cc2ccccc2Cl)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.2947982,False
1836,CC1CCN(CCN2CCN(c3cc(Cl)ccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.72510636,False
1837,CCC1(C)CC2CC(N2CCN2CCN(c3cccc(Cl)c3)C2=O)C1(C)C,[*]N1CCN([*])C1=O,0.7676355,False
1838,CN1CC2(N3CCN(c4cccc(F)c4)C3=O)CC(C)(C)CC1(C)C2,[*]N1CCN([*])C1=O,0.35134017,False
1839,CN1CCN(C)C(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.69369894,False
1840,COCC1CC2CC(C1)N(CCN1CCN(c3ccccc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.44392127,False
1841,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(F)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9618483,False
1842,O=C(CCc1ccc(OCCF)cc1)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63755214,False
1843,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc[nH]c1-c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8974727,False
1844,O=C1N(CCN2CCC(c3ccccc3)CC2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.77230364,False
1845,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc2ncccc2c1,[*]N1CCN([*])C1=O,0.52638733,False
1846,O=C1N(Cc2ccccc2)CCN1C1CCN(Cc2ccccc2)CC1,[*]N1CCN([*])C1=O,0.80245054,False
1847,O=C1N(Cc2ccco2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.5099235,False
1848,O=C1N(c2ccccn2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.26850456,False
1849,CC1(C)C2CCC1(N1CCN(CC3COCO3)C1=O)CC2,[*]N1CCN([*])C1=O,0.30836192,False
1850,CC1(C)C2CCC1(N1CCN(CCN3CCCC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.4748263,False
1851,CC1CC2(C)CC2(C)CN1CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.44206792,False
1852,CC1Cc2ccccc2N1CCN1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.55620456,False
1853,CCN1CCN(c2ccc(Cl)cc2Cl)C1=O,[*]N1CCN([*])C1=O,0.25739244,False
1854,COc1ccc2[nH]c(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97743016,True
1855,COc1cccc(CN2CCN(c3ccc(F)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.33334956,False
1856,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4c[nH]c5ccccc45)CC3)oc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47238743,False
1857,Cc1cc(N2CCN(CCN3CCCCCC3)C2=O)ccn1,[*]N1CCN([*])C1=O,0.7632288,False
1858,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cncc(-c2ccsc2)c1,[*]N1CCN([*])C1=O,0.79959553,False
1859,CC(CN1CCN(Cc2ccccc2)C1=O)N1CCc2ccccc21,[*]N1CCN([*])C1=O,0.33277172,False
1860,CC12CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C3CC1CCC32C,[*]N1CCN([*])C1=O,0.84546727,False
1861,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9365908,False
1862,Cc1cc(CN2CCN(c3ccccc3Cl)C2=O)on1,[*]N1CCN([*])C1=O,0.15835913,False
1863,Cc1csc(N2CCN(CN3CCN(Cc4ccccc4Cl)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.46600395,False
1864,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1cnc2ccccc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8314975,False
1865,O=C1N(CC(F)(F)F)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.33806333,False
1866,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccn(-c2ccccc2)c1,[*]N1CCN([*])C1=O,0.8394362,False
1867,O=C1N(Cc2ccccc2Cl)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.329964,False
1868,CC1CCN(C(=O)CCN(CCc2ccccc2)C2COc3c(Cl)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.27416003,False
1869,CC1CCN(C(=O)CN2CCN(c3cccc(C(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.19279629,False
1870,CCCN(C)C1COc2c(cccc2-c2ccc([O-])cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62863564,False
1871,CCN1CCC(N2CCN(c3cc(Cl)ccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.50958717,False
1872,CCOc1ccccc1N1CCN(CC=CCNC(=O)Cc2ccc(OC)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7318621,False
1873,CNc1ccc(C(=O)NCC=CCN2CCN(Cc3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2213037,False
1874,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)oc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72137004,False
1875,Cc1ncccc1N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.594691,False
1876,O=C(Cc1ccc2ccccc2c1)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63545924,False
1877,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc2c[nH]cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94256556,False
1878,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.89157945,False
1879,CC(CN1CCN(c2cccc(Cl)c2F)C1=O)N1CCC(C(F)(F)F)CC1,[*]N1CCN([*])C1=O,0.2829577,False
1880,CC12CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.697329,False
1881,CC1CCN(C(=O)CN2CCN(Cc3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.09718047,False
1882,CCCCN(CCC)C1COc2c(cccc2-c2ccccc2S(=O)(=O)O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5608125,False
1883,CCCN(C)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.69943213,False
1884,Cc1csc(N2CCN(CCN3CCN(c4ccccn4)CC3)C2=O)n1,[*]N1CCN([*])C1=O,0.6799029,False
1885,O=C1N(CC2COCCN2)CCN1c1cccc(CN2CCCCC2)c1,[*]N1CCN([*])C1=O,0.39934328,False
1886,O=C1N(CCN2C3CCCC2CC3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.41510424,False
1887,O=C1N(CCN2CC3CCC(CC3)C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.7076015,False
1888,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.7150211,False
1889,CC(CN1CCN(c2ccc(Cl)cc2)C1=O)N1CCCCC1,[*]N1CCN([*])C1=O,0.20064874,False
1890,CC12CC(CN(CN3CCN(c4ccc5c(c4)OCO5)C3=O)C1)C(C)(C)C2,[*]N1CCN([*])C1=O,0.39585933,False
1891,CCCCN(CCC)C1COc2c(Cl)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.70536965,False
1892,CCCN(CC1CCC(C(=O)N2CCCCC2)CC1)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.26058275,False
1893,CN1CCN(CCN2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.60319674,False
1894,Cc1c(C(=O)NCCN2CCN(c3ccccc3O)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7665037,False
1895,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccc(-c4ccccc4)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8330695,False
1896,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1cccc2c1-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5518051,False
1897,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccno1,[*]N1CCN([*])C1=O,0.5957054,False
1898,CC1(C)C2CCC1(N1CCN(C3CCCN3CCc3ccccc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.37641975,False
1899,CCN1CCCC1CNC(=O)c1c(O)ccc(Cc2ccccc2)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.78538847,False
1900,CN(C)Cc1csc(N2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.39269108,False
1901,CN1CCCCC1CN1CCN(c2ccncc2)C1=O,[*]N1CCN([*])C1=O,0.4600422,False
1902,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3O)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.822031,False
1903,O=C(NCC=CCN1CCN(c2ccccc2OCCCF)CC1)c1ccc2[nH]ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8006681,False
1904,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.82709336,False
1905,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.8931508,True
1906,O=C1N(CN2Cc3ccccc3C2)CCN1c1cnn2ccccc12,[*]N1CCN([*])C1=O,0.3498356,False
1907,CC(=O)n1ccc2cc(N3CCN(CCN4Cc5ccccc5NC4=O)C3=O)ccc21,[*]N1CCN([*])C1=O,0.4840526,False
1908,CC1(C)C2CCC1(N1CCN(CCN3CCN(C(=O)c4cccc(Cl)c4)C3)C1=O)CC2,[*]N1CCN([*])C1=O,0.30140674,False
1909,CCCN(CCC)C1COc2c(C=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.78323287,False
1910,CN(C)Cc1cccc(N2CCN(CCN3CCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.49396646,False
1911,CN(Cc1cccs1)CN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.40274957,False
1912,COc1cc(F)ccc1N1CCN(CCOC2CCCC2)C1=O,[*]N1CCN([*])C1=O,0.44510338,False
1913,COc1ccc(Cl)cc1N1CCN(C23CCC(CC2)C3(C)C)C1=O,[*]N1CCN([*])C1=O,0.25219184,False
1914,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2cccc(O)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90967005,False
1915,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8375439,False
1916,O=C1N(CC2CCCCN2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.72954077,True
1917,CC(C)(C)c1ncc(N2CCN(CN3Cc4ccccc4C3)C2=O)s1,[*]N1CCN([*])C1=O,0.5204568,False
1918,CC12CCC(N3CCN(CC4CNOC4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.3280679,False
1919,N#Cc1ccccc1N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.51543444,False
1920,Nc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(F)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8555478,False
1921,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1ccncc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8836195,False
1922,O=C1N(CCN2CCC3CCC(C3)C2)CCN1c1cccc(Cl)n1,[*]N1CCN([*])C1=O,0.6156982,False
1923,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.93642724,True
1924,CC(C)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8846357,True
1925,CC1CCN(C(=O)CCN(Cc2ccccc2)C2COc3c(O)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.23883948,False
1926,CC1Cc2ccccc2N1C(=O)N1CCN(CN(C)Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.2832456,False
1927,CCN(C(C)C)C1COc2c(cccc2C(=O)Oc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.23008268,False
1928,CN1CCCCC1CN1CCN(c2cccc(Br)c2)C1=O,[*]N1CCN([*])C1=O,0.6084489,False
1929,COc1ccc(OCCF)c(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7683095,False
1930,COc1cncc(N2CCN(CCN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.6909746,False
1931,O=C1N(CCN2CC3Cc4ccsc4CC3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.74861413,False
1932,O=C1N(CN2CCCC(Oc3ccccc3)C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.52107245,False
1933,CC1CC23CCC(CC2N3CCN2CCN(c3cccc(Cl)c3)C2=O)C1(C)C,[*]N1CCN([*])C1=O,0.76053905,False
1934,CN1CCN(CCN2CCN(c3cccc(CN4Cc5ccccc5C4)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8133185,False
1935,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(C)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7719415,False
1936,COc1ccccc1N1CCN(C2CCCNC2)C1=O,[*]N1CCN([*])C1=O,0.23495929,False
1937,O=C1N(C2CCCNC2)CCN1n1cccc1,[*]N1CCN([*])C1=O,0.2658093,False
1938,O=C1N(CCN2CCCc3sccc3C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.64251685,False
1939,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccccc1-n1cccn1,[*]N1CCN([*])C1=O,0.45334718,False
1940,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(F)cc1Cl,[*]N1CCN([*])C1=O,0.85897774,False
1941,O=C1N(Cc2ccc(CF)cc2)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.34730077,False
1942,O=C1N(Cc2cccc(Cl)c2)CCN1CN1CCc2ccccc21,[*]N1CCN([*])C1=O,0.35106772,False
1943,CC(C)N1CCCC1CN1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.31871787,False
1944,CCCN(C(C)C)C1COc2c(cccc2C(=O)Cl)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46166858,False
1945,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)C1CC2CCC1(C)C2,[*]N1CCN([*])C1=O,0.7844771,False
1946,CN(Cc1ccccc1)CN1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.3883217,False
1947,CN1CC2CC(OCN3CCN(c4cccc(Cl)c4)C3=O)CC2C1,[*]N1CCN([*])C1=O,0.62615186,False
1948,CN1CCCCC1N1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.46301556,False
1949,COc1cccc(N2CCN(CN3CCC(OC(C)C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.6206816,False
1950,COc1ccccc1N1CCN(CN(C)Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.35702682,False
1951,Cc1cc(N2CCN(CN(C)Cc3ccccc3)C2=O)cs1,[*]N1CCN([*])C1=O,0.32692134,False
1952,Cc1ccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)cc1F,[*]N1CCN([*])C1=O,0.7043282,False
1953,Cc1ccc(N2CCN(CN3Cc4ccccc4C3)C2=O)cc1C,[*]N1CCN([*])C1=O,0.563149,False
1954,O=C1N(CCN2CCCCCC2)CCN1c1cncc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.78323776,False
1955,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.7666335,False
1956,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccnc2ccccc12,[*]N1CCN([*])C1=O,0.8105045,False
1957,CC(CN1CCN(CCN2CCc3ccccc3N2)C1=O)c1ccccc1,[*]N1CCN([*])C1=O,0.36970684,False
1958,CCc1ccc(Br)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.89222264,False
1959,CN(C)Cc1cccc(N2CCN(c3cccc(C(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.3243778,False
1960,CNc1ccc(C(=O)NCC=CCN2CCN(c3cccc(F)c3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6071948,False
1961,COc1cccc2c1OCC(N(CC1CCCC1)CC1CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.53907835,False
1962,COc1ccccc1N1CCN(CCN2CCCCCC2)C1=O,[*]N1CCN([*])C1=O,0.6199053,False
1963,Cc1coc(CN(C)CN2CCN(c3cccc(Cl)n3)C2=O)c1,[*]N1CCN([*])C1=O,0.28196204,False
1964,O=C1N(CCN2CCOCC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.42758766,False
1965,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2occc2c1,[*]N1CCN([*])C1=O,0.90488327,True
1966,O=C1N(c2cccc(Cl)c2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.62242746,False
1967,CCCCN(CCC)C1COc2c(cccc2-c2ccc([O-])cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.64049524,False
1968,CCN(CC)C1COc2c(cccc2C(=O)c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.34568796,False
1969,COc1cccc(CN2CCN(CCN3CCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.52217025,False
1970,Cc1ccc(N2CCN(CCN3CCCCCC3)C2=O)cn1,[*]N1CCN([*])C1=O,0.763876,False
1971,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(CCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90897995,False
1972,O=C1N(CCN2CC3CCCC2C3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.58852607,False
1973,O=C1N(CCN2CCCc3sccc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.71910465,False
1974,O=C1N(CCN2CCOCC2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.435046,False
1975,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cc(Cl)cc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.67455965,False
1976,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(OC(F)(F)F)cc1,[*]N1CCN([*])C1=O,0.5560161,False
1977,O=C1N(Cc2ccc(Cl)cc2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.36466643,False
1978,CC1(C)C2CCC1(N1CCN(C3CCCN(Cc4ccc(F)cc4)C3)C1=O)CC2,[*]N1CCN([*])C1=O,0.380785,False
1979,CC1CCCCN1CN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.29600048,False
1980,CC1Cc2ccccc2N1C(=O)CN(C(C)C)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.22818983,False
1981,CCCN(CCCN(C)C)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.72609484,False
1982,CCCN(CCCN1CC(=O)C2(CCCC2)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6032913,False
1983,CN(Cc1ccccc1)CN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.41133818,False
1984,COc1ccc(N2CCN(CC=CCNC(=O)c3ccc(-c4ccc(F)cc4)cc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38149318,False
1985,O=C(NCC=CCN1CCN(CCF)CC1)c1c[nH]c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35692933,False
1986,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc2ccccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8420463,False
1987,O=C(c1ccccc1)N1CCN(C2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.18626723,False
1988,CC1OCC2CC1(C)CC2NCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.40527406,False
1989,CCCN(CC(C)=O)C1COc2c(C=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4908581,False
1990,CCCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6592593,False
1991,CN1Cc2ccccc2CC1N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.59298766,False
1992,COc1cccc(N2CCN(CCN3CCCC(C(F)(F)F)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8342513,False
1993,Cc1ccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)cn1,[*]N1CCN([*])C1=O,0.7421617,False
1994,O=C(CNCc1ccccc1)NCC=CCN1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35797575,False
1995,O=C1N(CN2Cc3ccccc3C2)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.41050056,False
1996,CCN(CCC(=O)N1CCC(C)CC1)C1COc2c(cccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.24593127,False
1997,CN(C)CCN1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.4840773,False
1998,COc1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.86464757,True
1999,Cc1ccc(N2CCN(CC3CCNCC3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.48202187,False
2000,Cc1ccccc1N1CCN(CCN2CCN(c3cccc(Cl)c3)CC2)C1=O,[*]N1CCN([*])C1=O,0.66376233,False
2001,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc(Nc2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7322417,False
2002,O=C1N(CN2Cc3ccccc3C2)CCN1C1OCCc2ccc(CN3CCOC3)cc21,[*]N1CCN([*])C1=O,0.47046342,False
2003,CC1CCCN(CCN2CCN(c3ccccn3)C2=O)C1,[*]N1CCN([*])C1=O,0.55003273,False
2004,CCCN(CC1CCC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.66460305,False
2005,CCN(CCN(C)CCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48137084,False
2006,COc1c(C(=O)NCCN2CCN(c3cccc(O)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.88849545,False
2007,Cc1ccc(Cl)cc1N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5128209,False
2008,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccsc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8565389,False
2009,O=C1N(CCN2CC3CCC2Cc2ccccc2C3)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.56224006,False
2010,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2c(c1)Cc1ccccc1-2,[*]N1CCN([*])C1=O,0.8709424,False
2011,O=C1N(Cc2cc3ccccc3s2)CCN1c1ccc(C(F)(F)F)s1,[*]N1CCN([*])C1=O,0.32778546,False
2012,O=C1N(c2cccc(Cl)c2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.32993,False
2013,CC(C)(C)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.9133432,False
2014,CC1CCCCN1CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.48876697,False
2015,CCCN(CCC(=O)N1CCC(C)CC1)C1COc2c(cccc2C(N)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42186767,False
2016,CN1CCN(CCN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7896989,False
2017,COc1ccc(OC)c(C(=O)NCC2CCCN2C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27281794,False
2018,Cc1cc(CN2CCN(Cc3ccccc3Cl)C2=O)on1,[*]N1CCN([*])C1=O,0.18526456,False
2019,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1ccc(-c2cccc(O)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9160593,False
2020,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cccc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7377082,False
2021,O=C1N(Cc2cccc(Cl)c2F)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.63964933,False
2022,C=CCN1CCCC1CNC(=O)c1c(CCF)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6310231,False
2023,CN1CCCCCC1N1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.3608273,False
2024,COc1cccc(CN2CCN(Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.30174005,False
2025,Cc1ccc(N2CCN(CN(C)Cc3cccs3)C2=O)cc1,[*]N1CCN([*])C1=O,0.29190218,False
2026,Cc1ccc(N2CCN(CN3Cc4ccccc4C3)C2=O)s1,[*]N1CCN([*])C1=O,0.6285822,False
2027,Cc1ccccc1-c1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8291439,False
2028,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1ccc2c(c1)-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83830494,False
2029,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83331096,False
2030,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ncccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8171382,False
2031,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccc(Cl)c(O)c1,[*]N1CCN([*])C1=O,0.7420428,False
2032,O=C1N(CCN2CCc3ccccc32)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.6389952,False
2033,CCCN(C(C)C)C1COc2c(cccc2[N+](=O)[O-])C1,[*]CN([*])C1COc2c([*])cccc2C1,0.44376597,False
2034,CCN1CCCC1CNC(=O)c1c(OC)ccc(Cl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.91825366,False
2035,CCN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.345487,False
2036,CN(Cc1ccccc1)CN1CCN(C2CCCCC2)C1=O,[*]N1CCN([*])C1=O,0.3693656,False
2037,COc1ccc(C(=O)NCC(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8027377,False
2038,COc1cccc2c1OCC(N(CC1CC1)C1CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5203888,False
2039,Cc1cc(N2CCN(CC3NCCc4ccccc43)C2=O)on1,[*]N1CCN([*])C1=O,0.48618904,False
2040,Cc1cccc(N2CCN(C3CCCCN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.31689322,False
2041,Cc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)n1,[*]N1CCN([*])C1=O,0.8257486,False
2042,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(-c2ccco2)c1,[*]N1CCN([*])C1=O,0.78989434,False
2043,CC1(C)C2CCC1CN(CCN1CCN(c3ccccn3)C1=O)CC2,[*]N1CCN([*])C1=O,0.6326684,False
2044,CN(CCN1CCN(c2ccccc2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.80175215,False
2045,COc1cccc2c1OCC(N(CCN1CCN(c3ccccc3)CC1)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6547163,False
2046,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9498677,True
2047,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8739828,False
2048,O=C(CNCc1ccccc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7782861,False
2049,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2ccccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9037182,False
2050,O=C1N(CCN2CC3CCC2CC3)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.65304935,False
2051,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.8130532,False
2052,CC1CCN(CCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7808126,False
2053,Cc1cc(-c2cccc(N3CCN(CN4Cc5ccccc5C4)C3=O)c2)no1,[*]N1CCN([*])C1=O,0.36484066,False
2054,O=C1N(CC2CCCNC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.35541028,False
2055,O=C1N(CC2COCCN2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.28914747,False
2056,O=C1N(CCN2CCCCCC2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.8282273,False
2057,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc2sc(C(F)(F)F)cc12,[*]N1CCN([*])C1=O,0.6871958,False
2058,O=C1N(CCN2Cc3ccccc3C2)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.59311897,False
2059,O=C1N(CCN2Cc3ccccc3C2)CCN1c1csc2ncccc12,[*]N1CCN([*])C1=O,0.7872305,False
2060,O=C1N(Cc2ccccc2)CCN1c1ccc2c(c1)Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.4541544,False
2061,CC(C)N(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5044486,False
2062,CCCN(CC)C1COc2c(cccc2-c2ccc(OC(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.67218906,False
2063,CCN(CCC(=O)N1C(=O)CC(C)(C)CC1C)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.30677697,False
2064,CN(C)Cc1csc(N2CCN(CC3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.45439136,False
2065,COc1ccc(Br)c(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.26561618,False
2066,COc1ccccc1N1CCN(CCc2nnc(C)s2)C1=O,[*]N1CCN([*])C1=O,0.28141642,False
2067,Cc1cc(CN2CCC(CN3CCN(c4cccc(Cl)c4)C3=O)CC2)no1,[*]N1CCN([*])C1=O,0.56978905,False
2068,O=C1N(Cc2ccc(OC(F)(F)F)cc2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.58275235,False
2069,CC(C)N1CCN(c2ccc3c(c2)OCO3)C1=O,[*]N1CCN([*])C1=O,0.1735257,False
2070,CC12CCN(CC(N3CCN(c4cccc(F)c4)C3=O)C1)C(C)(C)C2,[*]N1CCN([*])C1=O,0.28391838,False
2071,CC1CCCN(C(C)N2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.3373929,False
2072,CCOc1ccc(OC)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.86630446,False
2073,CN(Cc1cccc(Cl)c1)CN1CCN(C(=O)N2CCN(C)c3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.29677972,False
2074,O=C1N(CCCN2CCC(C(F)(F)F)CC2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.6932446,False
2075,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.76708966,False
2076,O=C1N(CCOC2CCCC2)CCN1c1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.59032387,False
2077,C#Cc1cccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7772765,False
2078,CC1(C)CC2CC(C)(CN2CCN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.6167012,False
2079,CC1(C)CCC(NCN2CCN(c3cccc(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.41367987,False
2080,CCN(C(C)C)C1COc2c(cccc2-c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46620467,False
2081,CCOc1ccc([N+](=O)[O-])cc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7363159,False
2082,CN1CCCCC1CN1CCN(c2cccc(Cl)c2Cl)C1=O,[*]N1CCN([*])C1=O,0.4609953,False
2083,COc1cccc(N2CCN(CN3CCN(C(C)C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.44163704,False
2084,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccc(Cl)cc3Cl)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8061744,False
2085,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87153953,False
2086,O=C1N(CCN2C3CCC2C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.51360655,False
2087,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(-c2ccsc2)cc1,[*]N1CCN([*])C1=O,0.8801086,False
2088,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2csnc2c1,[*]N1CCN([*])C1=O,0.8318761,False
2089,CCN(C)CCN1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.6105624,False
2090,CN(CCN1CCN(c2ccccc2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.6015237,False
2091,COc1cccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3Br)CC2)c1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.82826537,False
2092,Cc1ccc(-c2cccc(C(=O)NCC=CCN3CCN(c4ccccc4C)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6071406,False
2093,Cc1csc(N2CCN(CCN3CCCCCC3)C2=O)n1,[*]N1CCN([*])C1=O,0.62335896,False
2094,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1cccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8275552,False
2095,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccncc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9520053,False
2096,O=C1N(CCN2CCCc3ccccc32)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.49309292,False
2097,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.45771185,False
2098,O=C1N(c2ccc(F)nc2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.25773096,False
2099,O=C1N(c2ccccc2F)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.20913713,False
2100,CC(c1cccc(Cl)c1)N1CCN(CC2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.33987895,False
2101,CCN(CCC(=O)N1CCC2(CCCC2)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.25603858,False
2102,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc([N+](=O)[O-])c3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.705623,False
2103,N#Cc1cccc(N2CCN(CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6485354,False
2104,O=C1N(CCOC2CCCC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.5347306,False
2105,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5835966,False
2106,CC(=O)n1sc2ccc(N3CCN(CCN4Cc5ccccc5C4)C3=O)cc21,[*]N1CCN([*])C1=O,0.6327679,False
2107,CCN(CC)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.59943014,False
2108,CN(C)Cc1cccc(N2CCN(CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.60384136,False
2109,CN(C)Cc1csc(N2CCN(CCc3ccc4c(c3)OCO4)C2=O)c1,[*]N1CCN([*])C1=O,0.22650133,False
2110,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(OC(C)C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9627996,False
2111,Cc1cc(CN2CCN(c3ccc4c(c3)N(Cc3ccccc3)CC4)C2=O)on1,[*]N1CCN([*])C1=O,0.28339225,False
2112,Cc1ccc(N2CCN(CCN3CCCCCC3)C2=O)cc1C,[*]N1CCN([*])C1=O,0.818087,False
2113,Cc1ccc(N2CCN(c3cccc(C(F)(F)F)c3)C2=O)o1,[*]N1CCN([*])C1=O,0.1815372,False
2114,O=C1N(CC2CCNC2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.3743409,False
2115,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(Cl)cc1F,[*]N1CCN([*])C1=O,0.7935309,False
2116,CC1CCN(C(=O)CN2CCN(C(=O)c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.095645666,False
2117,CCCCN(CCC)C1COc2c(cccc2C(=O)OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5335826,False
2118,CCN(CC)CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.8045083,False
2119,Cc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7106474,False
2120,Nc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75285983,False
2121,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cccnc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.896525,False
2122,O=C1N(CCN2CC3CCCC2C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.4473978,False
2123,C=CCN1CCCC1CNC(=O)c1c(OCC)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.57133436,False
2124,CC(C)N1CCN(c2cccc(N3CCN(CN4Cc5ccccc5C4)C3=O)c2)C1=O,[*]N1CCN([*])C1=O,0.53899,False
2125,CCCCN(CCN1CCN(c2ccccc2)CC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.76526266,False
2126,CN(C)Cc1csc(N2CCN(C)C2=O)c1,[*]N1CCN([*])C1=O,0.3319571,False
2127,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(OCCF)c4)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34296504,False
2128,COc1cccc2c1OCC(N(Cc1ccccc1)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.23307182,False
2129,Cc1csc(N2CCN(CN3CCCc4ccccc4C3)C2=O)n1,[*]N1CCN([*])C1=O,0.45714378,False
2130,N#Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.8946481,False
2131,O=C1N(CCN2CCCc3ccccc32)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.48121992,False
2132,CC(C)N1CCCC(N2CCN(c3cccc(Cl)c3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.2250464,False
2133,CC1CCN(CCN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.83839756,False
2134,CN(Cc1ccccc1)CN1CCN(c2cccc3c2CCO3)C1=O,[*]N1CCN([*])C1=O,0.3736225,False
2135,O=C(NCC=CCN1CCN(Cc2ccccc2OCCF)CC1)c1cccc(CCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31694922,False
2136,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cccnc1-c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7071392,False
2137,O=C1N(CCN2Cc3cccc4c3C2CCC4)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.60451144,False
2138,CC(C)N1CCN(CCN2CCN(c3cccc(-c4cccs4)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8135998,False
2139,CC12CCC(N3CCN(C4Cc5ccccc5N4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.38398084,False
2140,CCc1ccc(Br)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.90490746,False
2141,CN(C)Cc1csc(N2CCN(c3ccc4ccccc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.29524386,False
2142,CN1CCN(CCN2CCN(Cc3cccc(Cl)c3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.6391969,False
2143,COc1ccccc1N1CCN(C(C)N2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.21952164,False
2144,CSc1ccccc1N1CCN(CC=CCNC(=O)c2c(C)cccc2N)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7411648,False
2145,Cc1csc(N2CCN(CCN3CCc4ccccc4N3)C2=O)c1,[*]N1CCN([*])C1=O,0.5839988,False
2146,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(-c2ccc(O)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54152817,False
2147,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1cc2cc(OCCF)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.473341,False
2148,O=C1N(c2ccsc2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.26193345,False
2149,CC(CN1CCN(C)CC1)N1CCN(c2cccc(Cl)c2Cl)C1=O,[*]N1CCN([*])C1=O,0.4801948,False
2150,CCN(C)CCN1CCN(c2ccccn2)C1=O,[*]N1CCN([*])C1=O,0.4808223,False
2151,CCN1CCCC1CNC(=O)c1c(ON)ccc(SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8925839,False
2152,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(CCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9501756,True
2153,O=C1N(CC(F)(F)F)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.4324481,False
2154,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cnoc1,[*]N1CCN([*])C1=O,0.7019724,False
2155,O=C1N(CN2CCN(Cc3cccs3)CC2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.4597729,False
2156,O=C1Nc2ccccc2CN1CCN1CCN(c2cc(Cl)ccc2F)C1=O,[*]N1CCN([*])C1=O,0.57939404,False
2157,CC(=O)n1ccc2cc(N3CCN(CN4Cc5ccccc5C4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.4146801,False
2158,CC1(C)C2CCC1(CNCCN1CCN(c3ccc4c(c3)OCO4)C1=O)CC2,[*]N1CCN([*])C1=O,0.46846336,False
2159,CC12CCC(CN3CCN(c4ccc(F)cc4)C3=O)(CC1)C2,[*]N1CCN([*])C1=O,0.31365967,False
2160,CCN(CC)C1COc2c(cccc2C(=O)Oc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.28759345,False
2161,COC(C)N1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.16805288,False
2162,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(-c2cccc(F)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7892832,False
2163,O=C1N(C2CNc3ccccc3C2)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.3639363,False
2164,O=C1N(CC2COCCN2)CCN1C1CCCc2ccccc21,[*]N1CCN([*])C1=O,0.41109732,False
2165,O=C1N(CCN2CC3CCC(C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.80259985,False
2166,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccco1,[*]N1CCN([*])C1=O,0.5514048,False
2167,CN(Cc1cccs1)CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7550502,False
2168,COc1cccc(N2CCN(CC(C)N3CCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.3849736,False
2169,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(O)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9496154,False
2170,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc2cc[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45697978,False
2171,O=C(c1cccc(Cl)c1)N1CCN(CCN2CCN(c3cccc(Cl)c3)CC2)C1=O,[*]N1CCN([*])C1=O,0.5626229,False
2172,O=C1N(CC2COCCN2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.417125,False
2173,O=C1N(CCN2CCc3ccccc3N2)CCN1c1nsc2ccccc12,[*]N1CCN([*])C1=O,0.45830825,False
2174,O=C1N(CCOC2CCCC2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.4388442,False
2175,O=C1N(Cc2cccnc2)CCN1CC1CCCCN1,[*]N1CCN([*])C1=O,0.4663394,False
2176,CC(=O)N1CCN(CCN2CCN(C34CCC(CC3)C4(C)C)C2=O)CC1,[*]N1CCN([*])C1=O,0.30326062,False
2177,CC1(C)C2CCC13CCN(CCN1CCN(c4ccccc4)C1=O)C3C2,[*]N1CCN([*])C1=O,0.5919317,False
2178,CN(CCN1CCN(Cc2cccc(Cl)c2F)C1=O)Cc1ccccc1,[*]N1CCN([*])C1=O,0.51177514,False
2179,Cc1cc(N2CCN(CN3Cc4ccccc4C3)C2=O)no1,[*]N1CCN([*])C1=O,0.4752349,False
2180,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74143916,False
2181,Cc1cccc(N2CCN(CCN3Cc4ccccc4NC3=O)C2=O)n1,[*]N1CCN([*])C1=O,0.47678512,False
2182,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9889174,True
2183,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc2c1OCC2,[*]N1CCN([*])C1=O,0.7414896,False
2184,O=C1N(CCNCC2Oc3ccccc32)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.3755547,False
2185,O=C1N(CN2CCCCCC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.38520387,False
2186,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccccc1-c1cccs1,[*]N1CCN([*])C1=O,0.53570807,False
2187,CC(C)c1cccc(N2CCN(CC3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.5696789,False
2188,CC1(C)C2CCC1CN(CCN1CCN(c3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.6661808,False
2189,CN(C)Cc1csc(N2CCN(CCN3CCc4ccccc4-c4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.5315414,False
2190,CN(C)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(F)c3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7111967,False
2191,COc1cccc(N2CCN(c3cc(CN(C)C)cs3)C2=O)c1,[*]N1CCN([*])C1=O,0.27630538,False
2192,Cc1cc(CN2CCN(c3ccc(Cl)cc3)C2=O)on1,[*]N1CCN([*])C1=O,0.18659349,False
2193,Cc1ccsc1N1CCN(CCN2CCc3ccccc3N2)C1=O,[*]N1CCN([*])C1=O,0.5030147,False
2194,Cc1csc(N2CCN(CC(=O)N3CCc4ccccc43)C2=O)n1,[*]N1CCN([*])C1=O,0.08665751,False
2195,O=C(NCC=CCN1CCN(Cc2ccccc2OCCF)CC1)c1cc2cc(O)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36940038,False
2196,CC1CCN(CCN2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8156351,False
2197,CCCCN(CCC)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7671677,False
2198,CCN1CCCC1CNC(=O)c1c(OC)ccc(Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9580983,True
2199,CN1CCN(CCN2CCN(c3cc(Cl)ccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.67448276,False
2200,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96257365,True
2201,COc1cccc(N2CCN(CC=CCNC(=O)c3ccc(-c4ccccc4)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8551333,False
2202,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1c[nH]c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8402134,False
2203,O=C(NCC=CCN1CCN(c2cccc(CF)c2Cl)CC1)c1cc2ccccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90230197,False
2204,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc2ccccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7913493,False
2205,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cccnc1-c1cccs1,[*]N1CCN([*])C1=O,0.40891525,False
2206,CC(=O)c1cccc(N2CCN(CC3COCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.21436971,False
2207,CCc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8490669,False
2208,CN(CN1CCN(c2ccc(Cl)cc2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.52459824,False
2209,COCC1C2CCC1CN(CCN1CCN(c3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.68247706,False
2210,COc1ccccc1N1CCN(c2ccc(C)o2)C1=O,[*]N1CCN([*])C1=O,0.16116843,False
2211,Cc1cccc(CN2CCN(C3CCC[S+]([O-])C3)C2=O)c1,[*]N1CCN([*])C1=O,0.29159534,False
2212,Cc1csc(N2CCN(C(C)N3Cc4ccccc4C3)C2=O)n1,[*]N1CCN([*])C1=O,0.2805424,False
2213,O=C1N(CCN2CCCc3ccccc32)CCN1c1cc(F)cc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.433503,False
2214,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.8030854,False
2215,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.608369,False
2216,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(-c2cccs2)nc1,[*]N1CCN([*])C1=O,0.8582526,False
2217,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc2c1OCO2,[*]N1CCN([*])C1=O,0.7693406,False
2218,CC1(C)CC2(C)CC(CN3CCN(c4cccc(F)c4)C3=O)(C1)C2,[*]N1CCN([*])C1=O,0.3637025,False
2219,CC1(C)CC2CCC(C1)N2CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.5033703,False
2220,CN(C)Cc1cccc(N2CCN(Cc3ccc4c(c3)NC(=O)CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.40016222,False
2221,CN(Cc1cc2ccccc2s1)CN1CCN(CCN2CCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.46420616,False
2222,Cc1ccc(CN(C)CCN2CCN(c3cccc(Cl)c3)C2=O)s1,[*]N1CCN([*])C1=O,0.65489626,False
2223,Cc1csc(N2CCN(CN3CCCCCC3)C2=O)n1,[*]N1CCN([*])C1=O,0.24290633,False
2224,O=C1N(CCN2CCCc3sccc3C2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.7200849,False
2225,CC(=O)N1CCN(CN2CCN(C34CCC(CC3)C4(C)C)C2=O)CC1,[*]N1CCN([*])C1=O,0.16267659,False
2226,CC1(C)C2CCC1(N1CCN(C3COc4ccccc4O3)C1=O)CC2,[*]N1CCN([*])C1=O,0.2642302,False
2227,CC1CCC(N(C)CCN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6045986,False
2228,CCCN(CC)C1COc2c(cccc2C(F)(F)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7029438,False
2229,COc1cccc2c1OCC(N(C)CCCN1C(=O)CC3(CCCC3)CC1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.56149405,False
2230,Cc1cccc(N2CCN(CCN3CCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.4713046,False
2231,N#Cc1cccc(CN2CCN(CCN3CCN(c4cccc(Cl)c4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.79002404,False
2232,O=C1N(CC(F)(F)F)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.2976744,False
2233,O=C1N(CCN2CC3Cc4ccccc4CCC2C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.38681644,False
2234,O=C1N(CCN2CCCCc3ccoc3C2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.65462637,False
2235,O=C1N(CCOC2CCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.80839664,False
2236,CC(C)c1ccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.64351803,False
2237,CC1(C)C2CCC1N(CCN1CCN(c3cccc(F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.5581982,False
2238,CC12CCC(N3CCN(c4cccc5ccccc45)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.1938019,False
2239,CCCN(CC(C)=O)C1COc2c(cccc2C(=O)c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51952875,False
2240,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9745441,False
2241,COc1ccc(C)c(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70491457,False
2242,Cc1ccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)cn1,[*]N1CCN([*])C1=O,0.756879,False
2243,Cc1sccc1N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.59756887,False
2244,O=C1N(CCN2CCCc3ccsc3C2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.5674117,False
2245,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc2ccn(C(=O)O)c2c1,[*]N1CCN([*])C1=O,0.38880095,False
2246,CC(F)C1CCN(CCN2CCN(c3cccc(Cl)c3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.871736,False
2247,CC1(C)C2CCC1(CN1CCN(c3ccc4c(c3)OCO4)C1=O)CC2,[*]N1CCN([*])C1=O,0.45173916,False
2248,CN(Cc1ccccc1)CN1CCN(c2ccco2)C1=O,[*]N1CCN([*])C1=O,0.35099304,False
2249,COCC1CCCN1N1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.30396932,False
2250,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8133525,False
2251,O=C1COc2c(CN3CCN(c4cccc(CN5Cc6ccccc6C5)c4)C3=O)cccc2N1,[*]N1CCN([*])C1=O,0.42916092,False
2252,O=C1N(CCc2cccc(Cl)c2)CCN1CCN1CCc2ccccc2N1,[*]N1CCN([*])C1=O,0.5390694,False
2253,O=C1N(Cc2ccccc2)CCN1Cc1ccc2c(c1)CCC2,[*]N1CCN([*])C1=O,0.44130155,False
2254,O=C1N(Cc2ccccn2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.53966475,False
2255,CCC1C2(C)CN(CCN3CCN(c4ccccc4Cl)C3=O)CC1(C)C2,[*]N1CCN([*])C1=O,0.50479186,False
2256,CN(C)Cc1cccc(N2CCN(CN(C)Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.42707902,False
2257,COCCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.48259357,False
2258,COc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78631985,False
2259,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(F)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9888503,False
2260,Cc1cccc(N2CCN(CC3CCCNC3)C2=O)c1,[*]N1CCN([*])C1=O,0.45160162,False
2261,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cccc(-c2ncccn2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7444725,False
2262,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.7924936,False
2263,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.63428444,False
2264,CCCN(CC1CCC(c2ccc3[nH]ccc3c2)=N1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54353595,False
2265,CCN1CCCC1CNC(=O)c1c(Br)ccc(S)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8925686,False
2266,CN(CN1CCN(c2ccc3ccccc3c2)C1=O)CC12CCC1CC2(C)C,[*]N1CCN([*])C1=O,0.59689766,False
2267,Cc1csc(N2CCN(CCN3CCc4ccccc4C3)C2=O)n1,[*]N1CCN([*])C1=O,0.6345869,False
2268,N#Cc1ccccc1N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.60766256,False
2269,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8001756,False
2270,O=C1N(CC2CCCCN2)CCN1c1ccccc1-c1ccccn1,[*]N1CCN([*])C1=O,0.40587747,False
2271,O=C1N(CCN2CCC3Cc4ccccc4CC2C3)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.48311594,False
2272,O=C1N(CCN2CCN(CCF)CC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.8036918,False
2273,CC12CC(CN(CCN3CCN(c4cccc(Cl)c4Cl)C3=O)C1)C(C)(C)C2,[*]N1CCN([*])C1=O,0.5874636,False
2274,CN(C)Cc1csc(N2CCN(Cc3csc4ccccc34)C2=O)c1,[*]N1CCN([*])C1=O,0.32985926,False
2275,CN(CCN1CCN(c2cccc(F)c2)C1=O)CC12CCC(CC1)C2,[*]N1CCN([*])C1=O,0.5995304,False
2276,CN1CCN(CCN2CCN(c3ccccc3C#N)C2=O)CC1,[*]N1CCN([*])C1=O,0.7099732,False
2277,COc1ccc(Cl)cc1N1CCN(CCN2CCCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.40941215,False
2278,COc1cccc2c1OCC(N(C)CCC(=O)N1CCCC13CCCC3)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.36878017,False
2279,Cc1ccc(N2CCN(CCN3CCCN(C(C)C)CC3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.7766702,False
2280,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc2c(c1)Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5352727,False
2281,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cccc(-c2ccncc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7567731,False
2282,O=C1N(CCN2CCCc3occc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.715797,False
2283,CC(=O)NCC=CCN1CCN(c2cccc(C)c2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5998273,False
2284,CC(C)(C)c1ccc(N2CCN(CCN3CCc4ccccc4N3)C2=O)cc1,[*]N1CCN([*])C1=O,0.6508529,False
2285,CC1Cc2ccccc2N1C(=O)CCN(Cc1ccc(Cl)cc1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.33727804,False
2286,CCN1CCCC1CNC(=O)c1c(O)ccc(F)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8584572,False
2287,CN(C)Cc1csc(N2CCN(c3ccc4c(ccc5ccccc54)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.311446,False
2288,COC(C)N1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.2219699,False
2289,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(-c2cccs2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78045684,False
2290,O=C1N(CCN2CC3Cc4ccsc4CC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.77483886,False
2291,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccc2c(F)cccc2c1,[*]N1CCN([*])C1=O,0.6387604,False
2292,CC1CCN(C(=O)CCN(CC=Cc2ccccc2)C2COc3c(Br)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.20985694,False
2293,CCN(C)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5862998,False
2294,CCN(CC)C1COc2c(cccc2-c2ccncc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57218254,False
2295,CCN1CCCC1CNC(=O)c1c(SC)ccc(S)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8281578,False
2296,CN(Cc1ccccc1)CN1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5336305,False
2297,Cc1ccc(CN(CCC(=O)N2c3ccccc3CC2C)C2COc3c(F)cccc3C2)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.22990277,False
2298,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc(-c2ccccc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78244364,False
2299,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.9119576,False
2300,CC12CCC(CN(CN3CCN(c4cccc(Cl)c4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.6232415,False
2301,COCC1C2CCC1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.9065641,False
2302,COc1ccc2[nH]c(C(=O)NCC=CCN3CCN(c4ccc(OC)c(OC)c4)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3654909,False
2303,Cc1cc(CN2CCN(c3cc(Cl)ccc3Cl)C2=O)on1,[*]N1CCN([*])C1=O,0.18778424,False
2304,Cc1cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)on1,[*]N1CCN([*])C1=O,0.81205183,False
2305,N#Cc1cc(N2CCN(CCN3CCc4ccccc4N3)C2=O)ccc1Cl,[*]N1CCN([*])C1=O,0.64482915,False
2306,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.98878837,True
2307,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1Cc1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.81546474,False
2308,O=C1N(CCN2c3ccccc3CC3CCCC32)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.62803704,False
2309,O=C1N(CN2Cc3ccccc3C2)CCN1C1COCN(c2cccc(Cl)c2)C1,[*]N1CCN([*])C1=O,0.42530334,False
2310,CC1(C)CC2CCC(C)(C1)N2CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.33660132,False
2311,CC1C2(C)CCC13CCN(CCN1CCN(c4ccccc4Cl)C1=O)C3C2,[*]N1CCN([*])C1=O,0.398429,False
2312,CC1CCN(C(=O)CCN(C)C2COc3c(cccc3C(F)(F)F)C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.24093173,False
2313,CCCN(CC1(C)CCCC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5426371,False
2314,CCN1CCCC1CNC(=O)c1c(F)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.911232,False
2315,Cc1ccc(N2CCN(CC(C)c3ccc(Cl)cc3)C2=O)o1,[*]N1CCN([*])C1=O,0.18187636,False
2316,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3-c3ccccn3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7576422,False
2317,O=C1N(CCN2CC3CCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.6323862,False
2318,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.4119652,False
2319,CC(C#N)c1cccc(N2CCN(C3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.26839432,False
2320,CC(CN1CCN(c2cccc(Cl)c2)C1=O)N1CCCCC1,[*]N1CCN([*])C1=O,0.39640728,False
2321,CC1(C)C2CCCC13CCC2N(CCN1CCN(c2ccccc2Cl)C1=O)C3,[*]N1CCN([*])C1=O,0.4021212,False
2322,CC1(C)CC2CN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC2(C)C1,[*]N1CCN([*])C1=O,0.8307211,False
2323,CCCN(CC)C1COc2c(cccc2-c2ccc(C#N)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7275714,False
2324,CN(C)c1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93964654,False
2325,CN(Cc1cccc(Cl)c1)CN1CCN(CN2CCN(c3ccccc3)C2)C1=O,[*]N1CCN([*])C1=O,0.50879997,False
2326,Cc1cc(CN2CCN(c3cccc(F)c3)C2=O)on1,[*]N1CCN([*])C1=O,0.24558061,False
2327,Cc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(OCCF)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.31675145,False
2328,CC(c1cccc(Cl)c1)N1CCN(CCN2CCN(c3cccc(Cl)c3)CC2)C1=O,[*]N1CCN([*])C1=O,0.6364558,False
2329,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Br)ccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8433424,False
2330,CN(Cc1cccc(Cl)c1)CN1CCN(CCN2C(=O)Cc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.49969026,False
2331,Cc1cc(CN2CCN(c3cccc(CN(C)C)c3)C2=O)on1,[*]N1CCN([*])C1=O,0.24953035,False
2332,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccc(Cl)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8189758,False
2333,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77730906,False
2334,O=C1N(CCN2CC3Cc4ccccc4CC2C3)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.59820867,False
2335,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc(-c2ccncc2)cc1,[*]N1CCN([*])C1=O,0.6642321,False
2336,O=C1N(c2cncc(Cl)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.29355198,False
2337,O=C1Nc2ccccc2CN1CCN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.7038718,False
2338,CC1(C)CC2CC(CN3CCN(c4ccc5c(c4)OCO5)C3=O)(C2)C1,[*]N1CCN([*])C1=O,0.34052807,False
2339,CC12CCC(N3CCN(CC(=O)N4CCc5ccccc54)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.20495564,False
2340,CC1CCN(CCN2CCN(c3ccc4ccccc4c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8475852,False
2341,CCCN(CCCN1CCC2(CCCC2)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5984715,False
2342,CCN(CC)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5909501,False
2343,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(F)c4F)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64386505,False
2344,Cc1ccc(N2CCN(CCN3CCCCCC3)C2=O)o1,[*]N1CCN([*])C1=O,0.46541238,False
2345,Cc1cccc(N2CCN(CC=CCNC(=O)c3cc4ccccc4o3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.790789,False
2346,O=C1N(CC2CCCNC2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.44010997,False
2347,O=C1N(CN2CCCC(OCc3ccccc3)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.46394816,False
2348,O=C1N(c2ccccc2F)CCN1C1CCN1CCCc1cccs1,[*]N1CCN([*])C1=O,0.41648415,False
2349,CCCCN(CCC)C1COc2c(cccc2-c2ccc([N+](=O)[O-])cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56313086,False
2350,CCN(C)CCN1CCN(c2ccc3c(c2)OCC3)C1=O,[*]N1CCN([*])C1=O,0.5804987,False
2351,CN(C)Cc1csc(N2CCN(c3ccccc3Cl)C2=O)c1,[*]N1CCN([*])C1=O,0.2746034,False
2352,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7967878,False
2353,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(-c2cccc(O)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86446303,False
2354,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccc(F)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.98791045,False
2355,O=C1N(CCN2CCCCCC2)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.71437603,False
2356,O=C1N(CN2Cc3ccccc3C2)CCN1c1c(F)cccc1Cl,[*]N1CCN([*])C1=O,0.5987579,False
2357,O=C1N(Cc2cccc(F)c2)CCN1CN1CCc2ccccc21,[*]N1CCN([*])C1=O,0.33769143,False
2358,O=C1Nc2ccccc2CN1CCN1CCN(c2ccsc2-c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.5898515,False
2359,CC1CCCCN1CCN1CCN(c2ccccn2)C1=O,[*]N1CCN([*])C1=O,0.36023626,False
2360,CCN(C)CCN1CCN(C2COOC2)C1=O,[*]N1CCN([*])C1=O,0.5033413,False
2361,CCN(CCC(=O)N1CCC(C)CC1)C1COc2c(cccc2C(=O)OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.21328734,False
2362,CCN1CCCCC1CN1CCN(c2ccccc2F)C1=O,[*]N1CCN([*])C1=O,0.32814795,False
2363,CCN1CCN(c2cccc(CN(C)C)c2)C1=O,[*]N1CCN([*])C1=O,0.4219787,False
2364,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccnc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9229504,False
2365,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccc(O)[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86399895,False
2366,O=C1N(CC2CCCNC2)CCN1c1cccc2cccnc12,[*]N1CCN([*])C1=O,0.3714648,False
2367,O=C1N(CCN2CCCC2CO)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6713712,False
2368,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.7598353,False
2369,CC1Cc2ccccc2N1C(=O)CCN(Cc1ccc2c(c1)NC(=O)CO2)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.27479967,False
2370,COCc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)OCO3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5388808,False
2371,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9094993,False
2372,Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(C(F)(F)F)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7547091,False
2373,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cncc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.67822665,False
2374,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1csc2ccccc12,[*]N1CCN([*])C1=O,0.87731296,False
2375,O=C1N(Cc2ccc3ccccc3c2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.56930226,False
2376,O=C1N(c2ccccc2Cl)CCN1C1CCN(Cc2ccccc2)CC1,[*]N1CCN([*])C1=O,0.6230608,False
2377,O=C1N(c2ccccc2Cl)CCN1N1CCC(C(F)(F)F)CC1,[*]N1CCN([*])C1=O,0.2367411,False
2378,CCCN(C(C)C)C1COc2c(cccc2-c2ccc(C([O-])(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4464155,False
2379,CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.68403393,False
2380,CCN(CCNC(=O)Nc1ccc2c(c1)c(=O)c1ccccc1[s+]2[O-])C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.0778338,False
2381,COc1c(C(=O)NCCN2CCN(c3ccccc3[N+](C)=O)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.81894463,False
2382,Cc1cc(N2CCN(CCN3CCc4ccccc4C3)C2=O)on1,[*]N1CCN([*])C1=O,0.6717243,False
2383,Cc1nc2cc(N3CCN(CCN4Cc5ccccc5C4)C3=O)ccc2s1,[*]N1CCN([*])C1=O,0.8900113,True
2384,O=C1N(CCN2CCCCCC2)CCN1c1ccnc(F)c1,[*]N1CCN([*])C1=O,0.84661585,False
2385,CC(C)N(CCN1CCN(C(=O)c2ccc3ccccc3c2)CC1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43023428,False
2386,CC12CCC(N3CCN(C4CNc5ccccc5C4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.39226213,False
2387,CCCN(C)C1COc2c(cccc2-c2ccc(Cl)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7032438,False
2388,CN(C)CCN1CCN(C2Cc3ccccc3O2)C1=O,[*]N1CCN([*])C1=O,0.48208332,False
2389,CN1CCN(CCN2CCN(C34CCC(C)(CC3)C4(C)C)C2=O)C1,[*]N1CCN([*])C1=O,0.5250689,False
2390,Cc1cc(N2CCN(CCN3CCN(C(C)C)CC3)C2=O)on1,[*]N1CCN([*])C1=O,0.6708596,False
2391,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cnc2ccccc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7994678,False
2392,O=C1N(CC2CCCNC2)CCN1c1cccc(Cl)n1,[*]N1CCN([*])C1=O,0.40777847,False
2393,O=C1N(c2cccc(CN3CCCC3CF)c2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.3280661,False
2394,CCCN(C(C)C)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6761087,False
2395,CCN(CC)CCN1CCN(c2ccc3c(c2)OCO3)C1=O,[*]N1CCN([*])C1=O,0.50488126,False
2396,CCN(CCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56932414,False
2397,CN1CCCC(CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6561975,False
2398,CN1CCCCC1N1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.32515302,False
2399,COc1cccc2c1OCC(N(C)CCCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.7422365,False
2400,COc1ccccc1N1CCN(CC2CCC(C)(C)C3CCCN23)C1=O,[*]N1CCN([*])C1=O,0.36881393,False
2401,NC(=O)CCN(Cc1ccc2ccccc2c1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.33606544,False
2402,O=C1N(CCF)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.77413994,False
2403,CC(=O)n1c(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc2ccccc21,[*]N1CCN([*])C1=O,0.5506388,False
2404,CC(CN1CCN(c2cccc(F)c2)C1=O)N1CCc2cc(CN(C)C)ccc21,[*]N1CCN([*])C1=O,0.3086591,False
2405,CC1(C)C2CCC1CN(CN1CCN(c3ccc4c(c3)OCO4)C1=O)C2,[*]N1CCN([*])C1=O,0.4673316,False
2406,CCCN(CCO)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.70549816,False
2407,COc1cccc(CN2CCN(C(=O)N3CCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.12684758,False
2408,CSc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7862891,False
2409,Cc1ccccc1N1CCN(C2CCCNC2)C1=O,[*]N1CCN([*])C1=O,0.20431697,False
2410,O=C1N(CC2CCCCN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.627565,True
2411,O=C1N(CCN2CCOCC2)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.40942982,False
2412,CC(=O)c1cccc2c1OCC(N(CC=Cc1ccccc1)CCC(=O)N1CCC(C)CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.23655263,False
2413,CC(C)N1CCN(CCN2CCN(c3ccc(F)cc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.64469194,False
2414,CC1(C)CC2CN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC(C)(C2)C1,[*]N1CCN([*])C1=O,0.83350736,False
2415,CCCCN(CCC)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.66894835,False
2416,CN(Cc1cccs1)CN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.37856996,False
2417,CN1CCN(CN2CCN(C34CCC(CC3)C4(C)C)C2=O)C1,[*]N1CCN([*])C1=O,0.4394654,False
2418,COc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9228736,False
2419,Cc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87535954,False
2420,O=C(NCC=CCN1CCN(CCOc2ccccc2F)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3388453,False
2421,CC(C)Oc1cccc(N2CCN(CCN3CCN(c4cccc(Cl)c4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.7040918,False
2422,CC1Cc2ccccc2N1C(=O)CCN(Cc1ccc2ccccc2c1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.29997626,False
2423,CCCN(C)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7288669,False
2424,CCCOc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2ccccc2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8710736,False
2425,CCN(CCO)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46177924,False
2426,CN(C)Cc1csc(N2CCN(Cc3ccc4ccccc4c3)C2=O)c1,[*]N1CCN([*])C1=O,0.24572127,False
2427,CN(CCN1CCN(c2ccccc2F)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.6436539,False
2428,COc1cccc(N2CCN(CCN3CCCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.81863475,False
2429,Cc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65163875,False
2430,O=C(NCC=CCN1CCN(c2cccc(CF)c2Cl)CC1)c1ccc(Br)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92173517,False
2431,O=C1N(CCN2CCCc3ccccc32)CCN1Cc1ccsc1,[*]N1CCN([*])C1=O,0.4358424,False
2432,O=C1N(Cc2cccc(Cl)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.34297723,False
2433,CC(c1ccccc1)N1CCN(CN(C)Cc2cc3ccccc3s2)C1=O,[*]N1CCN([*])C1=O,0.32964855,False
2434,CC1(C)CC2CC(C)(CN2CCN2CCN(c3ccc4c(c3)OCO4)C2=O)C1,[*]N1CCN([*])C1=O,0.4929825,False
2435,CCCN(C(C)C)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.60105616,False
2436,CN1CCCC(CN2CCN(c3ccc4c(c3)OCO4)C2=O)C1,[*]N1CCN([*])C1=O,0.4716055,False
2437,COc1cccc(CN2CCN(C3CCN(Cc4ccccc4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.75811,False
2438,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3ccc(OCCF)cc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9239462,False
2439,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1coc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73995036,False
2440,CC(=O)N1CCc2cc(O)ccc2CC1CN(C(C)C)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.33888143,False
2441,CC1(C)C2CCC1(N1CCN(C3CCCN3Cc3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.2911864,False
2442,CCCN(CC1CCN(CC(=O)OC(C)(C)C)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4373117,False
2443,CN1CCCCC1CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.45973313,False
2444,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(-c2ncc[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7688261,False
2445,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1ccccc1OC(F)(F)F,[*]N1CCN([*])C1=O,0.7022217,False
2446,O=C1N(CCN2Cc3ccccc3C2)CCN1c1snc2ccccc12,[*]N1CCN([*])C1=O,0.8032673,False
2447,O=C1N(c2cccc(CN3CCCC3)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.43260247,False
2448,O=CC(=O)NCC=CCN1CCN(c2cccc(F)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8115057,False
2449,Oc1cccc2c1OCC(N(CCc1ccccc1)CC1CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.61881965,False
2450,CC1CCN(C(=O)CCN(C(C)C)C2COc3c(F)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.2555854,False
2451,CN(Cc1cccs1)CN1CCN(Cc2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.34467012,False
2452,CN1CCC(N2CCN(c3cccc(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5009011,False
2453,O=C1N(CC2CCCCN2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.43685612,False
2454,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cc(Cl)cc2cccn12,[*]N1CCN([*])C1=O,0.50286865,False
2455,O=C1N(CCN2CCc3sccc3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5399207,False
2456,O=C1N(CN2Cc3ccccc3C2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.59073937,False
2457,O=C1N(c2cccc(OC(F)(F)F)c2)CCN1C1CCCC(C(F)(F)F)C1,[*]N1CCN([*])C1=O,0.24521473,False
2458,CC1CC2CCC(C2)N1CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.44125575,False
2459,CCN(CC)C1COc2c(cccc2-c2cccc(C(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5455628,False
2460,CCN1CCCC1CNC(=O)c1c(Br)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9396824,True
2461,CN1CCN(CCN2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.81314117,False
2462,Cc1cccnc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(C(F)(F)F)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8233816,False
2463,O=C(NCC=CCN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cc2ccccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.62674767,False
2464,O=C1N(CCN2CC3CCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8253931,True
2465,O=C1N(CCN2CC3CCCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7690119,False
2466,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1ccco1,[*]N1CCN([*])C1=O,0.7720937,False
2467,CCCc1ccc(F)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6856037,False
2468,CCN(CCN1CCN(c2cccc3ccccc23)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7724968,False
2469,COCC1CCCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.8371862,False
2470,COc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90810674,False
2471,Cc1cccc(N2CCN(CCN3CCC4CCC(C)(C3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.6312828,False
2472,Cc1sccc1N1CCN(CCN2CCOCC2)C1=O,[*]N1CCN([*])C1=O,0.20986365,False
2473,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(Oc2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84283596,False
2474,O=C1N(CC2CCCNC2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.60108477,False
2475,O=C1N(CCN2CC3Cc4ccccc4CC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.73718256,False
2476,CC(C)C12CCC(C1)N2CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.4225954,False
2477,CC(C)N1CCN(C(C)CN2CCN(c3cc(Cl)ccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.24040538,False
2478,CC(C)N1CCN(CCN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.795887,False
2479,CC12CCC(N3CCN(c4cccc5c4CCO5)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.19069956,False
2480,CCN(C(C)C)C1COc2c(cccc2OC(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.23633178,False
2481,CCN1CCN(Cc2ccccc2)CC1N1CCN(C(C)OC)C1=O,[*]N1CCN([*])C1=O,0.3954875,False
2482,Cc1ccc(N2CCN(Cc3cc4ccccc4s3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.28895032,False
2483,O=C(NCC=CCN1CCN(OCCF)CC1)c1c[nH]c(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.24198107,False
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2485,CC12CCC(N3CCN(C4COc5ccccc5C4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.43206903,False
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2487,CCN(CC)CCN1CCN(c2cccc(C)c2)C1=O,[*]N1CCN([*])C1=O,0.61993307,False
2488,Cc1cc(N2CCN(CCN3CCOc4ccccc43)C2=O)on1,[*]N1CCN([*])C1=O,0.26778385,False
2489,Cc1ccc(N2CCN(c3cccc(CN4Cc5ccccc5C4)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.5808528,False
2490,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccc(Cl)nc1,[*]N1CCN([*])C1=O,0.40556878,False
2491,O=C1N(c2ccc(F)cc2)CCN1c1ccc(C(F)(F)F)s1,[*]N1CCN([*])C1=O,0.23390871,False
2492,O=C1Nc2ccccc2CN1CCN1CCN(c2ccc(Cl)cc2F)C1=O,[*]N1CCN([*])C1=O,0.4714205,False
2493,O=C1Nc2ccccc2CN1CCN1CCN(c2cccnc2)C1=O,[*]N1CCN([*])C1=O,0.5374171,False
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2495,CC1CCC(N2CCN(c3ccccc3Cl)C2=O)N(C)C1,[*]N1CCN([*])C1=O,0.31680492,False
2496,CN(CCN1CCN(c2ccccn2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.60860056,False
2497,Cc1ccc(N2CCN(c3cccc(Cl)c3)C2=O)o1,[*]N1CCN([*])C1=O,0.26628318,False
2498,Cc1csc(N2CCN(CN3CCc4ccccc4C3)C2=O)n1,[*]N1CCN([*])C1=O,0.42747018,False
2499,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(-c2ccccc2)o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6982302,False
2500,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccc2c(c1)CO2,[*]N1CCN([*])C1=O,0.60963225,False
2501,CCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5557497,False
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2503,CN1CCN(CCN2CCN(c3cccs3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6092826,False
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2505,O=C1N(CC23CCC4(CCCC4C2)C3)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.43221724,False
2506,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.78734934,False
2507,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.8865336,False
2508,O=C1N(CN2Cc3ccccc3C2)CCN1c1sccc1-c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5735697,False
2509,COC1CCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.8838457,False
2510,COc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86008054,False
2511,COc1cccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7985107,False
2512,Cc1cccc(N2CCN(CC3CCCCN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.59409654,False
2513,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccncc3)CC2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60758513,False
2514,N#Cc1ccc(F)cc1N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.6597773,False
2515,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccc(O)c(Cl)c1,[*]N1CCN([*])C1=O,0.75978684,False
2516,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.6807177,False
2517,O=C1N(CN2CC3CCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.57882327,False
2518,CC1(C)CC2CCC(C1)N2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.8049934,False
2519,CCN1CCC(CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6659288,False
2520,CCN1Cc2ccccc2C1CN1CCN(Cc2cccc(OC)c2)C1=O,[*]N1CCN([*])C1=O,0.5201127,False
2521,CN(CCN1CCN(c2cccc(Cl)n2)C1=O)C1CCC(C)(C)CC1,[*]N1CCN([*])C1=O,0.45829955,False
2522,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86145145,False
2523,Cc1nc2cc(N3CCN(CCN4CCCc5ccccc54)C3=O)ccc2s1,[*]N1CCN([*])C1=O,0.45914814,False
2524,O=C(CN1CCN(Cc2cccc(Cl)c2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.17904004,False
2525,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cscc1-c1ccncc1,[*]N1CCN([*])C1=O,0.80131745,False
2526,CN(C)Cc1csc(N2CCN(c3ccccc3CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.48967305,False
2527,COc1cccc(N2CCN(CCN3CCCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.9314152,False
2528,COc1cccc(N2CCN(CCOC3CCN(C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.6879855,False
2529,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(-c3cccc(O)c3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8853525,False
2530,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9757595,False
2531,O=C1N(CC2CCCCN2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.39754006,False
2532,O=C1N(CCN2CCc3ccccc3C2)CCN1c1csc(-c2ccc(F)cc2)c1,[*]N1CCN([*])C1=O,0.7120346,False
2533,CC1(C)C2CCCC1CN(CCN1CCN(c3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.6761731,False
2534,CC1COCN1CCN1CCN(C23CCC(CC2)C3(C)C)C1=O,[*]N1CCN([*])C1=O,0.3780332,False
2535,CCCN(C(C)C)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5437609,False
2536,COc1ccc(N2CCN(CN(C)Cc3ccccc3)C2=O)cc1,[*]N1CCN([*])C1=O,0.36850905,False
2537,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9206005,False
2538,O=C1N(CCN2CC3CCC2Cc2ccccc2C3)CCN1c1cccc(Cl)n1,[*]N1CCN([*])C1=O,0.5253158,False
2539,O=C1N(CCN2CCC3(CCCCC3C(F)(F)F)C2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.59695643,False
2540,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccc2nc(O)oc2c1,[*]N1CCN([*])C1=O,0.27649656,False
2541,CC(C)c1ccccc1N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.50454956,False
2542,CC1(C)C(CN2CCN(c3ccccc3)C2=O)CC2CCC21,[*]N1CCN([*])C1=O,0.3246499,False
2543,CCN(C(C)C)C1COc2c(cccc2C(C)O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4178662,False
2544,CN(C)Cc1csc(N2CCN(Cc3ccc(Cl)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.23984686,False
2545,CN(Cc1cccc(Cl)c1)CN1CCN(c2ccccc2CF)C1=O,[*]N1CCN([*])C1=O,0.341377,False
2546,COCC12CCC1(C)CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.83493096,False
2547,COc1ccc2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9500019,False
2548,COc1cccc(CN2CCN(C34CCC(C)(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.28223193,False
2549,Cc1ccc(N2CCN(CCN3CCN(C)CC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.6956952,False
2550,O=C1Nc2ccccc2CN1CCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.65679395,False
2551,CC12CCC(N3CCN(CCN4CCOCC4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.23637742,False
2552,CC12CCC(N3CCN(CCN4CCOc5ccccc54)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.35967994,False
2553,CC1CCN(CCN2CCN(c3cccc4cccnc34)C2=O)CC1,[*]N1CCN([*])C1=O,0.7827692,False
2554,CCN(C)c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.933482,False
2555,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2cc3cc(O)ccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8344968,False
2556,COC(C)N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.15929672,False
2557,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc4c3Cc3ccccc3-4)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77847034,False
2558,O=C1N(CCN2CCCc3ccccc32)CCN1c1cc(F)ccc1Cl,[*]N1CCN([*])C1=O,0.4580913,False
2559,C=CCN1CCCC1CNC(=O)c1c(OCCF)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5723033,False
2560,CC1(C)CC2CCN(CCN3CCN(c4ccccc4Cl)C3=O)C2C1,[*]N1CCN([*])C1=O,0.352687,False
2561,CCCCN(CCC)C1COc2c(cccc2-c2ccc(Cl)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7045803,False
2562,CCCN(CCC)C1COc2c(cccc2-c2ccc(Cl)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.81090593,False
2563,CCN(CCC(=O)N1CCC(C)CC1)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.26589745,False
2564,CN(C)CCN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4080754,False
2565,CN(Cc1ccccc1)CN1CCN(CCc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4819602,False
2566,COC(C)N1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.22859272,False
2567,Cc1cc(N2CCN(C3CCN(Cc4ccccc4)CC3)C2=O)on1,[*]N1CCN([*])C1=O,0.6368428,False
2568,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.5958338,False
2569,O=C1N(CCOC2CCCC2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.54908466,False
2570,CC1(C)C2CCC3(CCN1CCN1CCN(c4cccc(Cl)c4)C1=O)CC23,[*]N1CCN([*])C1=O,0.7977374,False
2571,CC12CCC(CN(CCN3CCN(c4ccccc4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.7176327,False
2572,CC1CC23CCN(CCN4CCN(c5ccccc5Cl)C4=O)C2(C)CC1(C)CC3,[*]N1CCN([*])C1=O,0.37003672,False
2573,COc1ccccc1CN1CCC(N2CCN(c3cc(CN(C)C)cs3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5593015,False
2574,Cc1ccc(N2CCN(CN(C)Cc3ccccc3)C2=O)cc1,[*]N1CCN([*])C1=O,0.323819,False
2575,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc2c(c1)C(=O)c1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6946162,False
2576,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.44509748,False
2577,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1C(F)(F)F,[*]N1CCN([*])C1=O,0.78365886,False
2578,O=C1N(CCN2Cc3ccc(Br)cc3C2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.56258655,False
2579,O=C1N(c2cccc(Cl)c2F)CCN1C1CCNC(C(F)(F)F)C1,[*]N1CCN([*])C1=O,0.3122151,False
2580,CCCN(C)C1COc2c(cccc2-c2cccc(F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.69580853,False
2581,COc1cccc2c1OCC(N(CCN1C(=O)CC3(CCCC3)CC1=O)CC1CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5078095,False
2582,Cc1cc(CN2CCN(Cc3ccccc3)C2=O)on1,[*]N1CCN([*])C1=O,0.20895347,False
2583,Cc1cc(N2CCN(CCN3CCc4ccccc4C3)C2=O)ccc1Cl,[*]N1CCN([*])C1=O,0.70192504,False
2584,O=C1N(CCN2C3CCC2c2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.82774997,False
2585,O=C1N(CCN2CCOc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5086962,False
2586,CC(C)NC12CC(CN3CCN(c4cccc(Cl)c4)C3=O)CC1Cc1ccccc12,[*]N1CCN([*])C1=O,0.5804727,False
2587,CC12CCC(N3CCN(CC4CCCN4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.3477938,False
2588,CN1CCN(CCN2CCN(C34CCC(CC3)C4(C)C)C2=O)C1=O,[*]N1CCN([*])C1=O,0.40296546,False
2589,CNc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75320995,False
2590,COc1cccc(N2CCN(CCN3CC4CCC3Cc3ccccc3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.70170563,False
2591,Cc1cc(CN2CCN(c3cccc(Cl)c3)C2=O)on1,[*]N1CCN([*])C1=O,0.32796577,False
2592,Cc1cccc(N2CCN(CCN3CCN(C(C)C)CC3)C2=O)n1,[*]N1CCN([*])C1=O,0.7504447,False
2593,O=C1N(CC(=O)N2CCc3c(F)cccc32)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.2022973,False
2594,O=C1N(CCN2CCC3Cc4ccccc4CC2C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5015761,False
2595,O=CC(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.857114,False
2596,CC1(C)C2CCC1(N1CCN(c3ccc(F)c(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.29597977,False
2597,CN(Cc1cccc(CN2CCN(c3cccc(Cl)c3)C2=O)c1)C1CCCCC1,[*]N1CCN([*])C1=O,0.5453627,False
2598,COc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7802334,False
2599,Cc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(F)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7901931,False
2600,N#Cc1cccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.9470881,True
2601,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cccc(O)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93660206,False
2602,O=C(NCC=CCN1CCN(c2ccccc2O[O-])CC1)c1cccc2c1-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.705875,False
2603,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.61456275,False
2604,CC1CCN(C(=O)CCN(C(=O)c2ccc(F)cc2)C2COc3c(F)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.16263662,False
2605,CN1CCCCC1N1CCN(c2cccc(C(=O)c3ccccc3)c2)C1=O,[*]N1CCN([*])C1=O,0.17306595,False
2606,Cc1ccc(N2CCN(CC34CCC(CC3)N(C)C4)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.44233286,False
2607,Cc1nc(-c2ccccc2)c(N2CCN(CCN3Cc4ccccc4C3)C2=O)s1,[*]N1CCN([*])C1=O,0.757657,False
2608,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1csc(-c2ccccn2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8417092,False
2609,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc2cccc(OCCF)c2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77049947,False
2610,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc2c(c1)OCO2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.66548264,False
2611,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc2occc2c1,[*]N1CCN([*])C1=O,0.72923166,False
2612,CC(=O)c1cccc(N2CCN(CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.40935746,False
2613,CC(C)N1CCN(CN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1,[*]N1CCN([*])C1=O,0.28034782,False
2614,CC1(C)CC2(C)CC1CCN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.82705694,False
2615,CCN(C(C)C)C1COc2c(cccc2C(F)(F)S(=O)(=O)O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37759888,False
2616,CCN(CC)C1COc2c(cccc2C(=O)c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.29418418,False
2617,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(OCCF)cc3cc(O)[nH]c23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78080374,False
2618,Cc1cncc(N2CCN(CCN3CCOCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.32046342,False
2619,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccsc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.98791045,True
2620,O=C1N(CCN2CCCC23CCCC3)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.39061618,False
2621,O=C1N(CCN2CCCCCC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.7293809,False
2622,CC1(C)C2CCC1(N1CCN(C3OCCN3Cc3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.2753553,False
2623,CCN(CC1CCCCC1)CN1CCN(c2ccccc2F)C1=O,[*]N1CCN([*])C1=O,0.2899837,False
2624,CN(C)Cc1csc(N2CCN(Cc3ccc4c(c3)OCO4)C2=O)c1,[*]N1CCN([*])C1=O,0.19092774,False
2625,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)oc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84146804,False
2626,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccc(-c4ccccc4O)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7487718,False
2627,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccc(F)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86963755,False
2628,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1cc2cc(O)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64678913,False
2629,O=C(NCC=CCN1CCN(c2cncc(Cl)c2Cl)CC1)c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5675814,False
2630,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(F)ccc1Cl,[*]N1CCN([*])C1=O,0.84260494,False
2631,O=C1N(CN2CCCCCC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.36179945,False
2632,O=C1N(c2ccccc2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.21839058,False
2633,CC(=O)n1ccc2ccc(N3CCN(CN4Cc5ccccc5C4)C3=O)cc21,[*]N1CCN([*])C1=O,0.3807209,False
2634,CN(C)Cc1cccc(N2CCN(CCN3CCN(c4cccc(Cl)c4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.7929762,False
2635,CN1CCCCCC1CN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.55819434,False
2636,COc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4ccccc4F)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.57987285,False
2637,Cc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(O)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6515083,False
2638,Cc1ccc(C)c(N2CCN(CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.531714,False
2639,Cc1ccc(N2CCN(CCN3CCN(C(C)C)CC3)C2=O)o1,[*]N1CCN([*])C1=O,0.53423786,False
2640,O=C1N(CCN2C3CCCC2Cc2ccccc2C3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.59933096,False
2641,O=C1N(CCN2CCCc3sccc3C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.70652074,False
2642,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc2scnc2c1,[*]N1CCN([*])C1=O,0.46434417,False
2643,CC12CCC(N3CCN(CN4CCN(Cc5ccc(Cl)cc5)C4=O)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.2928242,False
2644,CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(C=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6983713,False
2645,CN1C2Cc3ccccc3CC1CN(CCN1CCN(c3ccccc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.5626581,False
2646,COC(C)N1CCN(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1=O,[*]N1CCN([*])C1=O,0.7173582,False
2647,Cc1ccc(N2CCN(CC3CCCCN3)C2=O)cc1,[*]N1CCN([*])C1=O,0.36130533,False
2648,O=C(NCCN1CCN(c2ccccc2O)CC1)c1cc(Br)c2ccccc2c1Br,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.800037,False
2649,O=C1N(CN2CC3CCC(C2)C(OCF)C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5640191,False
2650,CC1(C)CC2CN(CCN3CCN(c4ccccc4Cl)C3=O)CC1(C)C2,[*]N1CCN([*])C1=O,0.56584275,False
2651,CCCN(C(C)C)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6184285,False
2652,CCCN(CCCCN1C(=O)CC2(CCCC2)N(C)C1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6040243,False
2653,CCCN(CCCN(C)C)C1COc2c(cccc2-c2cccc([N+](=O)[O-])c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5138812,False
2654,CN(Cc1cccs1)CN1CCN(c2cccc(CN3CCCCC3)c2)C1=O,[*]N1CCN([*])C1=O,0.38511425,False
2655,COc1ccccc1N1CCN(CC=CCNC(=O)C2OCCc3ccc(O)cc32)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6962154,False
2656,Cc1ccc(N2CCN(C34CCC(C)(CC3)C4(C)C)C2=O)cc1,[*]N1CCN([*])C1=O,0.14346516,False
2657,O=C1N(CC2CCCNCC2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.41295722,False
2658,O=C1N(CCN2CCCc3ccccc32)CCN1c1cc(F)cc(F)c1,[*]N1CCN([*])C1=O,0.48219052,False
2659,CC(C)c1ccccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7787725,False
2660,CC1(C)C2CCC1(CN1CCN(c3cccc(F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.49792382,False
2661,CC1(C)CC2N(CCN3CCN(c4ccccc4)C3=O)CC2(C)C1,[*]N1CCN([*])C1=O,0.5413518,False
2662,CC1CCN(C(=O)CCN(C)C2COc3c(cccc3C(=O)O)C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.257594,False
2663,COc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97785985,True
2664,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9601926,False
2665,COc1cccc2c1OCC(N(CCN1CCCC(O)C1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.57089186,False
2666,O=C(NCC=CCN1CCN(c2c(Cl)ccc(Cl)c2Cl)CC1)c1cccs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4202053,False
2667,O=C1N(C2CCCCN2)CCN1C1COCO1,[*]N1CCN([*])C1=O,0.25297084,False
2668,O=C1N(CCN2CCc3ccccc32)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.5734703,False
2669,O=C1N(CCN2CCc3ccccc3N2)CCN1Cc1ccc(F)cc1,[*]N1CCN([*])C1=O,0.57956845,False
2670,CC12CCC(CN(CCN3CCN(c4ccc5c(c4)OCO5)C3=O)C1)C2,[*]N1CCN([*])C1=O,0.63339055,False
2671,CCCN(CCC)C1COc2c(cccc2-c2cccc(OC)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8062682,False
2672,CCN1CCC(N2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.60706055,False
2673,CN(Cc1ccccc1)CN1CCN(CC(=O)N2CCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.16586427,False
2674,CN(Cc1cccs1)CN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.32959858,False
2675,COc1cc(F)ccc1N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5813045,False
2676,COc1cccc(N2CCN(CN(C)Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.40090436,False
2677,COc1cccc2c1OCC(N(CCCNC(=O)OC(C)(C)C)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.23043273,False
2678,Cc1cccc(CN2CCN(CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.5701705,False
2679,Cc1ccccc1N1CCN(C2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.21315321,False
2680,O=C1N(CCN2CCCCc3ccoc3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5168671,False
2681,CCCN(CCC(=O)N1CCCCC1)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3648614,False
2682,CN(Cc1cccs1)CN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.37324935,False
2683,CN1CCCCC1CN1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.5591572,False
2684,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccnc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9379332,False
2685,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93661773,False
2686,O=C1N(CC(=O)N2CCc3c(F)cccc32)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.1448935,False
2687,C=CN1CCCC1CNC(=O)c1c(CCCCl)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23532188,False
2688,CCCN(CCCN(C)C)C1COc2c(cccc2C(=O)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5500293,False
2689,COc1cccc2c1OCC(N(CC1CCC1)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.2381329,False
2690,Fc1cccc2c1OCC(N(Cc1cc3ccccc3[nH]1)CC1CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.42717633,False
2691,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc2[nH]c3ccccc3c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8275933,False
2692,O=C1N(CC2CCCCC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.34061825,False
2693,O=C1N(CCN2CCC(C(O)F)CC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.696022,False
2694,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1cccc(Br)c1,[*]N1CCN([*])C1=O,0.85231423,False
2695,O=C1N(c2ccc3c(c2)OCO3)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.2535014,False
2696,CC(C)c1cnccc1N1CCN(CCN2CCCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.38633996,False
2697,CCCN(C(C)C)C1COc2c(cccc2C(=O)O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46635234,False
2698,CCCN(CCC(=O)N1CCC(C)CC1)C1COc2c(C#N)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4099218,False
2699,CCN(C(C)C)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46423504,False
2700,CSc1ccc(N2CCN(CCOC3CCCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.4988146,False
2701,N#Cc1cc(F)ccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8072666,False
2702,O=C1N(CCN2CCCc3ccccc32)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.5835078,False
2703,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.5632548,False
2704,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.9249344,True
2705,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccccc1F,[*]N1CCN([*])C1=O,0.840331,False
2706,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(-c2ccncc2)cc1,[*]N1CCN([*])C1=O,0.54809964,False
2707,CN(Cc1cccc(Cl)c1)CN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.39196125,False
2708,COc1cccc(N2CCN(CC=CCNC(=O)c3ccc4c(c3)-c3ccccc3-4)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35918334,False
2709,COc1cccc2c1OCC(N(CCC(=O)N1CCCC13CCCC3)CCc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.36031106,False
2710,Cc1cccc(N)c1C(=O)NCC=CCN1CCN(c2ccc(Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4249136,False
2711,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1ccc2ccccc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85718834,False
2712,O=C1N(CC2NCCc3ccccc32)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.6362427,False
2713,O=C1N(CCN2CC3CCC2CCc2sccc23)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.68031865,False
2714,O=C1N(CCN2CCc3sccc3C2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.5367592,False
2715,CC(=O)Nc1cccc(N2CCN(C3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.05109834,False
2716,CC1(C)C2CCC1(N1CCN(C3CCCCO3)C1=O)CC2,[*]N1CCN([*])C1=O,0.21863757,False
2717,CCN(CC(=O)N1CCC2(CCCC2)CC1=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.34066838,False
2718,CCN(CCC1(O)CCN(C(=O)c2ccc3ccccc3c2)C1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2859947,False
2719,COc1cccc2c(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)ccnc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8181034,False
2720,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.676372,False
2721,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.75773925,False
2722,CC(C)C(C)N1CCN(CN2CCN(c3cccc(Cl)c3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.5276867,False
2723,CCN(CC1CCN(C2CCCC23CC(=O)C(=O)C3)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41233182,False
2724,CN(C)Cc1cccc(N2CCN(CCN3CCc4ccc(Br)cc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7139051,False
2725,COc1cccc(N2CCN(C(F)C3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.23022221,False
2726,COc1cccc2[nH]c(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9663258,False
2727,COc1ccccc1N1CCN(CC=CCNC(=O)Cc2cc3ccccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7934899,False
2728,Cc1ccsc1N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.67804116,False
2729,O=C1N(CCN2CCCCC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.79005927,False
2730,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc2ccsc12,[*]N1CCN([*])C1=O,0.73631376,False
2731,CC(C)Oc1ccccc1N1CCN(CCN2CCN(C)CC2)C1=O,[*]N1CCN([*])C1=O,0.6084612,False
2732,CC1(C(F)(F)F)CCN(CCN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1,[*]N1CCN([*])C1=O,0.5495683,False
2733,CCN1CCCC1CNC(=O)c1c(O)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.96674615,False
2734,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1csc2ccccc12,[*]N1CCN([*])C1=O,0.7235881,False
2735,CN(CN1CCN(c2ccc3c(c2)OCO3)C1=O)CC12CCCC(C1)C2(C)C,[*]N1CCN([*])C1=O,0.48856318,False
2736,CN(Cc1ccccc1)CN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.39642337,False
2737,CN1CCCC(N2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.44270027,False
2738,COc1cccc(CN2CCN(CN3c4ccccc4CC3C)C2=O)c1,[*]N1CCN([*])C1=O,0.42017096,False
2739,Cc1cccc(N2CCN(CC3COCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.38862482,False
2740,O=C1N(CCN2CCOCC2)CCN1Cc1cccnc1,[*]N1CCN([*])C1=O,0.31969157,False
2741,O=C1N(Cc2cccc(F)c2)CCN1C(F)(F)F,[*]N1CCN([*])C1=O,0.33705524,False
2742,O=C1N(Cc2ccccc2F)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.5617993,False
2743,CC1CCCCC1NCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.52758795,False
2744,CC1CCNC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6540723,False
2745,CC1CN(CCN2CCN(c3ccccc3Cl)C2=O)C2CCC1C2(C)C,[*]N1CCN([*])C1=O,0.45620102,False
2746,CCCN(CCC1CCC(NC(C)=O)CC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45719382,False
2747,COc1cccc(N2CCN(CCN3CCC(OC)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8922129,False
2748,Cc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(F)c3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63345855,False
2749,O=C1N(CC2COCCN2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.27997994,False
2750,O=C1N(CCN2CCCC3(CCCC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.81479645,False
2751,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.9307525,False
2752,O=C1N(CCN2Cc3ccccc3C2)CCN1c1csnc1-c1ccccc1,[*]N1CCN([*])C1=O,0.8363184,False
2753,O=C1N(Cc2csc3ccccc23)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.5988295,False
2754,CCCCN(CCC)C1COc2c(cccc2-c2ccccn2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6166966,False
2755,CCCc1ccc(Cl)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.89622307,False
2756,CN(CN1CCN(c2ccc3c(c2)OCO3)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.5481012,False
2757,COCC12CCC1(C)CCN2CCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.40203074,False
2758,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cccc([N+](=O)[O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5851052,False
2759,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc2[nH]ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8121058,False
2760,O=C1N(CCN2CCC(C(F)(F)F)C2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.7799907,False
2761,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cccc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.6669334,False
2762,O=C1N(c2ccc(Cl)cc2)CCN1C1CCCCNC1,[*]N1CCN([*])C1=O,0.2312589,False
2763,CC(=O)c1cccc2c1OCC(N(CCC(=O)N1CCC(C)CC1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.24820414,False
2764,CC(C)N1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.90040076,True
2765,CCCN(CCC1CCC(NC(=O)OC(C)(C)C)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4125533,False
2766,COc1ccccc1N1CCN(CCOC2CCCN2)C1=O,[*]N1CCN([*])C1=O,0.44324535,False
2767,Cc1ccccc1N1CCN(CC=CCNC(=O)CNCc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.47050473,False
2768,O=C1N(CCN2CC3CCC(CC3)C2)CCN1c1cccc(Cl)n1,[*]N1CCN([*])C1=O,0.6657219,False
2769,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cscc1-c1ccccn1,[*]N1CCN([*])C1=O,0.6905023,False
2770,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccs1,[*]N1CCN([*])C1=O,0.87396157,False
2771,O=C1N(CN2CCCCCC2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.36803892,False
2772,O=C1N(Cc2ccc3occc3c2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.5524353,False
2773,O=C1Nc2ccccc2CN1CCN1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.5470722,False
2774,CCN(C(C)C)C1COc2c(cccc2[N+](=O)[O-])C1,[*]CN([*])C1COc2c([*])cccc2C1,0.27728173,False
2775,CCN1CCN(CCN2CCN(c3cccc(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.69324124,False
2776,COc1ccccc1CN1CCN(CCN2CCc3ccccc3N2)C1=O,[*]N1CCN([*])C1=O,0.56868804,False
2777,Cc1ccc2cc(N3CCN(CCN4CCc5ccccc5N4)C3=O)sc2c1,[*]N1CCN([*])C1=O,0.4944325,False
2778,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cnc2ccccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7313572,False
2779,O=C1N(C2CCNC2)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.2447057,False
2780,O=C1N(CCN2CCC(c3ccccc3)C2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.6639483,False
2781,O=C1N(CCN2CCN(c3ccccc3)CC2)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.84280694,False
2782,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(-c2cccs2)ns1,[*]N1CCN([*])C1=O,0.8343033,False
2783,O=C1N(CN2Cc3ccccc3C2)CCN1c1cncc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.51337636,False
2784,CC1(C)CC2CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C3CC1C23,[*]N1CCN([*])C1=O,0.7466583,False
2785,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3cc[nH]c3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80399406,False
2786,CN(CN1CCN(c2cccc(Cl)c2)C1=O)CC12CCC(C1)C2(C)C,[*]N1CCN([*])C1=O,0.60336626,False
2787,COCCN(CC1CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5010491,False
2788,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(Oc3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71939236,False
2789,Cc1ccc(N2CCN(CN(C)Cc3ccccc3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.3439926,False
2790,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.823687,False
2791,O=C1N(CCN2CCCc3ccccc32)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.412893,False
2792,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.7282606,False
2793,O=C1N(CN2CCCC(Cc3ccccc3)C2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.50029606,False
2794,CC1(C)CN2CCC1CCC2CN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.30238223,False
2795,CCc1ccc(Cl)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9095317,False
2796,COCc1cccc(N2CCN(CCN3CCN(c4cccc(Cl)c4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8084615,False
2797,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(C)c4Cl)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7640555,False
2798,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83369654,False
2799,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc2ccccc2cc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8161299,False
2800,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1ccc(OC(F)(F)F)cc1,[*]N1CCN([*])C1=O,0.63190615,False
2801,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc2cccnc2c1,[*]N1CCN([*])C1=O,0.55851203,False
2802,CC1(C)C2CCC13CCN(CCN1CCN(c4ccccc4Cl)C1=O)C3C2,[*]N1CCN([*])C1=O,0.46322867,False
2803,CC1(C)CC2(C)CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C(C)(C1)C2,[*]N1CCN([*])C1=O,0.67604345,False
2804,CC1(C)CC2CCC(C)(CN2CCN2CCN(c3cccc(Cl)c3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.45323205,False
2805,CCN(C(C)C)C1COc2c(cccc2C(=O)c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.26383063,False
2806,CN(Cc1cccs1)CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.37926173,False
2807,COc1cccc2c1OCC(N(CCC(=O)N1CCC(C)CC1)c1cccc(C(F)(F)F)c1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.22967543,False
2808,Cc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3cc[nH]c3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5867852,False
2809,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2cccc(O)n2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91982263,False
2810,O=C1N(CCOC2CCCC2)CCN1Cc1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.42419493,False
2811,C=CCN1CCCC1CNC(=O)c1c(CC)ccc(Cl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5991041,False
2812,CC12CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C(C1)C2(C)C,[*]N1CCN([*])C1=O,0.85232806,False
2813,CC1CCN(C(=O)CCN(CC=Cc2ccccc2)C2COc3c(O)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.2558241,False
2814,CCN(CC)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.63363785,False
2815,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78192043,False
2816,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cccc(F)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9616984,False
2817,O=C1N(CCN2CCC(C(F)F)CC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.90244424,False
2818,O=C1N(CCN2CCC(CF)CC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.80995184,False
2819,O=C1N(CCN2CCC3CCC2C3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.6029271,False
2820,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(Cl)nc1,[*]N1CCN([*])C1=O,0.8632311,False
2821,CCCN(CC1CCC1)C1COc2c(cccc2C(=O)OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37163842,False
2822,CCN1CCCC1CNC(=O)c1c(C)ccc(C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8771166,False
2823,COCC1CCCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4974853,False
2824,COc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4ccccc4CF)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74004996,False
2825,Cc1cccc(N2CCN(C3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.23484392,False
2826,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97633266,False
2827,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.8527761,False
2828,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccc2[nH]ccc2c1,[*]N1CCN([*])C1=O,0.66245806,False
2829,C=CCN1CCCC1CNC(=O)c1c(OCCCl)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5720081,False
2830,CC(C)NCN1CCN(c2ccc3c(c2)OCO3)C1=O,[*]N1CCN([*])C1=O,0.23674354,False
2831,CC12CCC(N3CCN(C4CCN(Cc5ccccc5)C4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.6143521,False
2832,CCCN(CC)C1COc2c(cccc2-c2cccc([N+](=O)[O-])c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4858915,False
2833,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.892934,False
2834,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cc(Cl)c(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.72269523,False
2835,O=C1N(Cc2cccc(Cl)c2)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.33640072,False
2836,O=C1Nc2ccccc2CN1CCN1CCN(Cc2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.49768177,False
2837,CC(C)N(CCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(cccc2[N+](=O)[O-])C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3210156,False
2838,CCCN(C)C1COc2c(cccc2-c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7558218,False
2839,CCN1Cc2ccccc2C1N1CCN(c2cc(CN(C)C)cs2)C1=O,[*]N1CCN([*])C1=O,0.41549355,False
2840,CN(Cc1cccc(Cl)c1)CN1CCN(c2ccccc2C(F)(F)F)C1=O,[*]N1CCN([*])C1=O,0.34223658,False
2841,COc1ccc(-c2cc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)c[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71853876,False
2842,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(O)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8979213,False
2843,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.3139576,False
2844,O=C1N(CCN2CCN(Cc3ccccc3)CC2)CCN1Cc1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.7054204,False
2845,O=C1N(Cc2ccccc2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.3853929,False
2846,CC(F)C1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.9302519,False
2847,CC12CCC(CN(CCN3CCN(c4cccc(F)c4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.7591656,False
2848,CC1CCCCN1CCN1CCN(c2cccc(Cl)c2Cl)C1=O,[*]N1CCN([*])C1=O,0.42389402,False
2849,CCN(C(C)=O)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.31793213,False
2850,CN(C)CCN1CCN(c2ccc3c(c2)OCCO3)C1=O,[*]N1CCN([*])C1=O,0.4370424,False
2851,COc1ccccc1N1CCN(CCN2CCN(C)CC2)C1=O,[*]N1CCN([*])C1=O,0.6596773,False
2852,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2cccc(O)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92705256,False
2853,O=C1N(CC2C3CCN2CC2CCC3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.440906,False
2854,O=C1N(CN2Cc3ccccc3C2)CCN1c1cc2cc(F)ccc2s1,[*]N1CCN([*])C1=O,0.5619302,False
2855,CCN1CCCC1CNC(=O)c1c(F)ccc(Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.82512474,False
2856,CCN1CCCCC1CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.3975934,False
2857,COc1c(C(=O)NCCN2CCN(c3ccc(Br)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8956587,False
2858,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92613316,False
2859,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1cccc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90869474,False
2860,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccc(-c2cccc(O)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42856446,False
2861,O=C1N(C2CCC[S+]([O-])C2)CCN1C1CCOCN1,[*]N1CCN([*])C1=O,0.16842887,False
2862,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.494992,False
2863,C#Cc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.85843444,False
2864,COc1csc2c1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)CCC2,[*]N1CCN([*])C1=O,0.74193484,False
2865,Cc1cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)sc1C,[*]N1CCN([*])C1=O,0.80092007,False
2866,Cc1ccc(N2CCN(CCN3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.71612155,False
2867,O=C1N(CCN2CCc3ccccc3C2)CCN1c1sccc1-c1ccccc1,[*]N1CCN([*])C1=O,0.6922085,False
2868,O=C1N(c2ccc(CN3CCCCc4sccc43)cc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3374007,False
2869,CC(C)(C)c1ccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.7379662,False
2870,CC(CN1CCN(CN2Cc3ccccc3C2)C1=O)c1cccc(F)c1,[*]N1CCN([*])C1=O,0.3946331,False
2871,COCC1CC2CC(C)(C1)CN2CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.41035357,False
2872,COc1cccc2c1OCC(N(C)CC1CCN(C3CCCC34CC(=O)C(=O)C4)CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.432644,False
2873,O=C1N(CCN2C3CCCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8367233,True
2874,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(-c2ccccn2)s1,[*]N1CCN([*])C1=O,0.7707346,False
2875,O=C1N(CN2Cc3ccccc3C2)CCN1c1cc2cccnc2s1,[*]N1CCN([*])C1=O,0.51036,False
2876,O=C1Nc2ccccc2CN1CCN1CCN(c2coc3ccccc23)C1=O,[*]N1CCN([*])C1=O,0.45058465,False
2877,CCN(C)C1COc2c(cccc2-c2cccc([N+](=O)[O-])c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37567058,False
2878,CN1CCN(CN2CCN(c3ccccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.5222704,False
2879,COc1ccc2c(Br)cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c(OC)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88680327,False
2880,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)OCO2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7419751,False
2881,O=C1N(CC2CCCCN2)CCN1c1cccc(O)c1,[*]N1CCN([*])C1=O,0.5604646,False
2882,O=C1N(CCN2CC3Cc4ccccc4CC3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7155924,False
2883,O=C1N(CCN2CCCCC2)CCN1c1cccc(Cl)n1,[*]N1CCN([*])C1=O,0.64338696,False
2884,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.70294553,False
2885,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccccc1-c1ccccc1,[*]N1CCN([*])C1=O,0.7465597,False
2886,CC(C)N(CCO)C1COc2c(cccc2C(=O)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.23927392,False
2887,CCN(C(C)C)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45660764,False
2888,COCC1CC2CC(C1)N2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.8246401,False
2889,COc1c(C(=O)NCCN2CCN(c3ccc(C)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7462213,True
2890,Cc1ccc(-c2cccc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73523957,False
2891,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8004486,False
2892,O=C1N(CC2CCCNC2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.43672282,False
2893,O=C1N(CC2CCNCC2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.6562889,False
2894,O=C1N(c2cccc3ncsc23)CCN1C1CCN(Cc2ccccc2)CC1,[*]N1CCN([*])C1=O,0.6046365,False
2895,CC1(C)C2CCC1(N1CCN(C3CCOCN3)C1=O)CC2,[*]N1CCN([*])C1=O,0.22577612,False
2896,CC1CCCC(NCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.5329601,False
2897,CCN1CCCC1CNC(=O)c1c(OC)ccc(F)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8117983,False
2898,CN(CN1CCN(c2cccc(Cl)c2)C1=O)CC12CCC(C1)C(C)(C)C2,[*]N1CCN([*])C1=O,0.602668,False
2899,COC(C)N1CCN(c2ccc3c(c2)CN(C(C)=O)CC3)C1=O,[*]N1CCN([*])C1=O,0.1530383,False
2900,Cc1ccc(N2CCN(CCOC3CCCC3)C2=O)nc1,[*]N1CCN([*])C1=O,0.31838572,False
2901,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2[nH]ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8969976,False
2902,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.734805,False
2903,O=C1N(c2ccc(Cl)cc2F)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.28580838,False
2904,O=C1N(c2ccccc2Cl)CCN1C(F)C1CCCCC1,[*]N1CCN([*])C1=O,0.20446824,False
2905,CC1(C)C2CCC1(N1CCN(CN3CCN(c4cccc(Cl)c4)CC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.5190128,False
2906,CCOc1ccccc1N1CCN(CC=CCNC(C)=O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84699935,False
2907,CCc1ccc(O[O-])c(C(=O)NCC2CCCN2C2CCCC2)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.19582765,False
2908,COc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.94010615,False
2909,Cc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4F)CC3)cc2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5792349,False
2910,O=C1N(CC2CCC(Nc3ccccn3)CC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.35437334,False
2911,O=C1N(CCN2CCc3cccc(F)c3C2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.72048396,False
2912,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cccc(CCF)c1,[*]N1CCN([*])C1=O,0.6914874,False
2913,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc2ccsc2n1,[*]N1CCN([*])C1=O,0.5460664,False
2914,CC(=O)n1ccc2ccc(N3CCN(CCN4CCc5ccccc5N4)C3=O)cc21,[*]N1CCN([*])C1=O,0.43368644,False
2915,CC(Cc1ccccc1)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.73640203,False
2916,CC12Cc3ccccc3CC(C1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.7536425,False
2917,CN1CCCCC1N1CCN(c2cccnc2)C1=O,[*]N1CCN([*])C1=O,0.31334046,False
2918,COc1cccc2c1OCC(N(CCCN1C(=O)CC3(CCCC3)CC1=O)CCOc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.48170635,False
2919,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccc2ncccc2c1,[*]N1CCN([*])C1=O,0.42560807,False
2920,O=C1N(CCN2Cc3ccccc32)CCN1c1cccc2ncsc12,[*]N1CCN([*])C1=O,0.41602397,False
2921,CC(=O)NCCCN(CCc1ccccc1)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.31215775,False
2922,CN1CCCC(CN2CCN(c3ccccc3F)C2=O)C1,[*]N1CCN([*])C1=O,0.38832128,False
2923,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4F)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68301296,False
2924,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3[N+])CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80678207,False
2925,O=C(c1ccccc1)N1CCN(C2CCCNC2)C1=O,[*]N1CCN([*])C1=O,0.13663286,False
2926,O=C1N(CCN2CC3CCC(C2)C3CO)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.4834021,False
2927,CC(C)N1CCN(CN(C)Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.33688915,False
2928,CC(C)Nc1cccc(N2CCN(CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.40987393,False
2929,CC(c1ccccc1)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.80113924,False
2930,CCN(C)C1COc2c(cccc2-c2cccc(OC(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.391116,False
2931,CN(Cc1cccs1)CN1CCN(C2CCN(Cc3ccccc3)C2)C1=O,[*]N1CCN([*])C1=O,0.650295,False
2932,COc1cccc(N2CCN(CCN3CCCc4sccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.74378234,False
2933,Cc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82488585,False
2934,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9124142,False
2935,O=C1N(CN2CCCC(C(F)(F)F)CC2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.48869246,False
2936,CCCN(C1CCN(C(=O)OCC)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.16931023,False
2937,CCN(C)C1COc2c(Cc3ccsc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5797904,False
2938,COc1cccc(N2CCN(CCN3CCc4ccsc4CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.669904,False
2939,Cc1cccc(N)c1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.849971,False
2940,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1cccc2ncccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68327385,False
2941,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.839817,False
2942,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(-c2cccc(O)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88672966,False
2943,CC(CN1CCN(CCN2Cc3ccccc3NC2=O)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.49370438,False
2944,CC(c1ccccc1)N1CCN(C23CCC(CC2)C3(C)C)C1=O,[*]N1CCN([*])C1=O,0.2536146,False
2945,CC1(C)C2CCC1(N1CCN(CC3CCOCC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.2848854,False
2946,COc1ccc2[nH]c(C(=O)NCC=CCN3CCN(CCOc4ccccc4)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.29304835,False
2947,COc1cccc2c1CCC1CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1C2,[*]N1CCN([*])C1=O,0.6850436,False
2948,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc2cccnc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8300499,False
2949,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccc(-c2ccsc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41655532,False
2950,O=C1N(CC(=O)N2CCc3c(F)cccc32)CCN1CN1CCN(Cc2ccc(Cl)cc2)C1,[*]N1CCN([*])C1=O,0.619516,False
2951,CCCN(CC1CCC(NC(=O)N(C)C)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43401527,False
2952,COC(C)N1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.17976187,False
2953,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc2ccccc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.531606,False
2954,O=C1N(CCN2CCCCC2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.60030365,False
2955,O=C1N(CCN2CCN(Cc3ccccc3)CC2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.72874254,False
2956,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2conc2c1,[*]N1CCN([*])C1=O,0.7438891,False
2957,O=C1N(c2cccnc2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.25925875,False
2958,CC(CN1CCN(c2cccc(Cl)c2)C1=O)NC1CC2Cc3ccccc3CC1N(C)C2,[*]N1CCN([*])C1=O,0.49000898,False
2959,CCCN(CCCN(C)C)C1COc2c(cccc2C(=O)c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5059739,False
2960,CN1CCCC(CNCN2CCN(c3cccc(Cl)c3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.28959447,False
2961,Cc1cccc(N2CCN(CCN3CCOCC3)C2=O)n1,[*]N1CCN([*])C1=O,0.2835978,False
2962,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc([N+](=O)[O-])cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92818993,True
2963,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(-c2ccccn2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8608646,False
2964,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92505425,False
2965,O=C1N(CCN2CCCCCC2)CCN1c1ccc(F)nc1,[*]N1CCN([*])C1=O,0.80829734,False
2966,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.8979161,False
2967,CC1(C)C2CCC1(N1CCN(c3cccc(C(F)(F)F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.29206523,False
2968,CCCN(CCC)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.87361705,True
2969,CCN(C)C1COc2c(N)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6748238,False
2970,CCN(CCC(=O)N1CCC(C)CC1)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.20423585,False
2971,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2N)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80813044,False
2972,COCC1CCCN1CCN1CCN(c2cccc(OC)c2)C1=O,[*]N1CCN([*])C1=O,0.6725426,False
2973,COc1cccc(N2CCN(CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.63820696,False
2974,Cc1cc(CN2CCN(C3CCN(Cc4ccccc4)C3)C2=O)on1,[*]N1CCN([*])C1=O,0.42357147,False
2975,Nc1cc(C(=O)NCC=CCN2CCN(c3cccc(OCCF)c3)CC2)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39984408,False
2976,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.89916575,False
2977,CC(=O)NCC=CCN1CCN(c2cccc(Cl)c2CF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6819838,False
2978,CC1CCN(CN2CCN(c3ccc(F)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6151744,False
2979,CCCN(CC)C1COc2c(cccc2-c2ccccc2F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6556751,False
2980,CCCN(CCC)C1COc2c(cccc2S(C)(=O)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.78306323,False
2981,CN(Cc1cccc(Cl)c1)CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7682081,False
2982,COc1ccc2c(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)c[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9505075,False
2983,Cc1cccc(CN(C)CN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.38398656,False
2984,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2cccc(F)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.907124,False
2985,O=C1N(CCN2CCN(CC(F)(F)F)CC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.7748203,False
2986,O=C1N(CN2CCC(C(F)(F)F)CC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.627076,False
2987,O=C1N(c2ccccc2Cl)CCN1C1CC2CCC(C1)N2,[*]N1CCN([*])C1=O,0.24096994,False
2988,C=CCN(CC)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56834173,False
2989,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(F)c(N)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77300376,False
2990,CN1C2CC(COCN3CCN(c4ccc(Cl)cc4)C3=O)CC1C2,[*]N1CCN([*])C1=O,0.36527094,False
2991,COc1cccc(CN2CCN(CN3CCN(Cc4ccccc4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.52209777,False
2992,COc1cccc2c1OCC(N(CCN1CCOC3(CCCC3)CC1=O)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.34838176,False
2993,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1cccc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.888517,False
2994,O=C(c1ccc2sccc2c1)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.45367673,False
2995,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1ccc(F)cc1,[*]N1CCN([*])C1=O,0.71285826,False
2996,O=C1N(Cc2ccc(Cl)c(Cl)c2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.6441752,False
2997,CC(=O)CN(C(C)=O)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3362386,False
2998,CC1(C)CC2CCC1N(CCN1CCN(c3ccc4c(c3)OCO4)C1=O)C2,[*]N1CCN([*])C1=O,0.50004154,False
2999,CC1CCN(C(C)CN2CCN(c3ccccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.26661617,False
3000,CCCN(C(C)C)C1COc2c(cccc2C(=O)c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42296878,False
3001,CN1CCCCC1CN1CCN(c2ccccn2)C1=O,[*]N1CCN([*])C1=O,0.46706793,False
3002,CN1Cc2ccccc2CC1CN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.4785099,False
3003,O=C(NCCN1CCN(c2ccccc2O)CC1)c1cc(Br)c2ccccc2c1[N+](=O)[O-],[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.69961846,False
3004,CC12Cc3ccccc3CC(CN(CCN3CCN(c4ccccc4Cl)C3=O)C1)C2,[*]N1CCN([*])C1=O,0.593525,False
3005,CN1CCCC(N2CCN(c3ccc(Cl)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.39355877,False
3006,Cc1ccc(CN2CCN(CCN3CCc4ccccc4C3)C2=O)cn1,[*]N1CCN([*])C1=O,0.65239185,False
3007,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccc4ccccc4c3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80733705,False
3008,Cc1cccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8885107,False
3009,Nc1cccc(CC(=O)NCC=CCN2CCN(c3cccc(Cl)c3CF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55704594,False
3010,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7433543,False
3011,O=C1N(CCN2CCCC2C(F)(F)F)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.50441664,False
3012,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.9133522,False
3013,O=C1N(c2ccc(Cl)cc2Cl)CCN1C1CCN(Cc2ccccc2)CC1,[*]N1CCN([*])C1=O,0.70420706,False
3014,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c3cc(OCCF)ccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9377399,False
3015,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96265423,False
3016,Cc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccc([N+](=O)[O-])c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5491031,False
3017,Cc1csc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.85385984,False
3018,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(CCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9215666,False
3019,O=C1N(CC2CCNCC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.44790587,False
3020,O=C1N(CCN2CC3Cc4ccccc4C(C3)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.48932883,False
3021,O=C1N(c2cccc(OC(F)(F)F)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.24817844,False
3022,Oc1cccc2c1OCC(N(CCN1CCCCC1)CC1CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.57996815,False
3023,CC(=O)n1ccc2ccc(N3CCN(CCN4CCc5ccccc5C4)C3=O)cc21,[*]N1CCN([*])C1=O,0.6220079,False
3024,CC(C)Oc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(N(C)C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9243706,False
3025,CC1CC2c3ccccc3CC1N2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7312163,False
3026,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(CCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95018166,False
3027,O=C1N(CC2CCCCN2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.39895442,False
3028,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(O)c1,[*]N1CCN([*])C1=O,0.85272515,True
3029,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cc(-c2ccccc2)cs1,[*]N1CCN([*])C1=O,0.68443215,False
3030,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccsn1,[*]N1CCN([*])C1=O,0.71138453,False
3031,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.2685276,False
3032,CC(=O)N1CCc2ccc(N3CCN(CN(C)Cc4ccccc4)C3=O)cc21,[*]N1CCN([*])C1=O,0.18322162,False
3033,CC(c1ccccc1)N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.6491893,False
3034,CC1CCCN(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.5971957,False
3035,CCCN(CC)C1COc2c(cccc2C(=O)c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52409315,False
3036,CCN(C(C)C)C1COc2c(cccc2S(=O)(=O)c2ccc(C(C)=O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.19328202,False
3037,COc1cccc(C2CCN(CCN3CCN(c4ccccc4Cl)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.7747233,False
3038,Cc1cccc(N2CCN(CCN3CC4CCC(C3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.68661964,False
3039,O=C1N(CC2CCN(Cc3ccc(F)cc3)CC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.7274566,False
3040,O=C1N(CCC2CCC3CCN2C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.36746782,False
3041,O=C1N(c2cccc(CN3Cc4ccccc4C3)c2)CCN1C(F)(F)F,[*]N1CCN([*])C1=O,0.54053235,False
3042,CC12CCC(CC1)CN(CCN1CCN(c3ccccc3F)C1=O)C2,[*]N1CCN([*])C1=O,0.6253268,False
3043,CC1CCCCN1CCN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.63409907,False
3044,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc([N+](=O)[O-])c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8222337,False
3045,COc1ccccc1N1CCN(CCN2CCc3ccccc3N2)C1=O,[*]N1CCN([*])C1=O,0.52803785,False
3046,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc(-c4ccncc4)c3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7866866,False
3047,Cc1cccc(N2CCN(CCN3CCC(C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.85406256,False
3048,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2ccc(F)cc2c1,[*]N1CCN([*])C1=O,0.8217448,False
3049,O=C1Nc2ccccc2CN1CCN1CCN(c2ccc(Cl)c(F)c2)C1=O,[*]N1CCN([*])C1=O,0.64961857,False
3050,CCCN(CC(=O)N1CCN(C(=O)c2ccc3ccccc3c2)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.23981458,False
3051,CCN(CN1CCN(c2ccccc2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.47324872,False
3052,COc1cccc(CN2CCN(CCN3CCN(Cc4ccccc4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.62534505,False
3053,Cc1ccc(N2CCN(CC(=O)N3CCc4c(F)cccc43)C2=O)cc1,[*]N1CCN([*])C1=O,0.11271399,False
3054,O=C1N(CC(=O)N2CCc3c(F)cccc32)CCN1c1ccc(C(F)(F)F)cc1,[*]N1CCN([*])C1=O,0.1312358,False
3055,O=C1N(CCN2CCCCC2CF)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.37960315,False
3056,O=C1N(CCN2CCN(Cc3ccccc3)CC2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.74895185,False
3057,O=C1N(CN2Cc3ccccc3C2)CCN1c1c(Cl)cccc1Cl,[*]N1CCN([*])C1=O,0.5878578,False
3058,C=CCN1CCCC1CNC(=O)c1c(Br)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6495994,False
3059,CCCN(CCC)C1COc2c(cccc2-c2ccc(Oc3ccccc3)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7920596,False
3060,CN(Cc1ccccc1)CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7961344,False
3061,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccc3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6882721,False
3062,COc1cccc(CN2CCN(c3ccccc3Cl)C2=O)c1,[*]N1CCN([*])C1=O,0.28226495,False
3063,COc1ccccc1CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.77829504,False
3064,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2N)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9365403,False
3065,CC(CN1CCN(c2ccccc2F)C1=O)N1CCC(C(F)(F)F)CC1,[*]N1CCN([*])C1=O,0.2682726,False
3066,CC(c1ccccc1)N1CCN(CC2COCCN2)C1=O,[*]N1CCN([*])C1=O,0.23640984,False
3067,CC12CCC(N3CCN(C4CCOC4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.23500998,False
3068,CC1CCC(NCN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1,[*]N1CCN([*])C1=O,0.31598315,False
3069,CCN(C(C)C)C1COc2c(cccc2C(=O)NC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.22926852,False
3070,COC(=O)CN(CC(=O)N1CCCCC12CC(=O)C(O)C2)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.20720387,False
3071,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4cccc5ccccc45)CC3)oc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56363976,False
3072,Cc1ccc(N2CCN(CCN3c4ccccc4CCC3C)C2=O)o1,[*]N1CCN([*])C1=O,0.35175475,False
3073,Cc1csc(N2CCN(CCN3CCc4ccccc43)C2=O)n1,[*]N1CCN([*])C1=O,0.3990038,False
3074,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1cccc(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6815185,False
3075,CCCN(CCC)C1COc2c(cccc2C(=O)c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.68336123,False
3076,CCCN(Cc1ccccc1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.733745,False
3077,COC(=O)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.59260124,False
3078,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(F)nc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71566373,False
3079,Cc1ccc(N2CCN(CCN3CCN(C)CC3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.7129588,False
3080,Cc1cccc(N2CCN(CCN3CCC4Cc5ccccc5CC3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.5703739,False
3081,O=C1N(CCN2CC3CCCC(CC3)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.61720806,False
3082,O=C1N(CCN2CCCOC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.47821778,False
3083,O=C1N(CCN2CCOCC2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.33801904,False
3084,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(F)cc1Cl,[*]N1CCN([*])C1=O,0.8443176,False
3085,O=C1N(CN2CCCC(Oc3ccccc3)C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.5756916,False
3086,CC1CCN(CCN2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.63810986,False
3087,CCCN(C)C1COc2c(Cc3ccoc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.67249686,False
3088,CN(C)CCN1CCN(c2cccnc2)C1=O,[*]N1CCN([*])C1=O,0.45478675,False
3089,CN1CCC(N2CCN(c3cccc(Cl)n3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5139421,False
3090,COc1ccccc1N1CCN(CC2CCCCC2)C1=O,[*]N1CCN([*])C1=O,0.34665385,False
3091,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3[N+]([O-])[O-])CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70374095,False
3092,N#Cc1cc(N2CCN(CN3Cc4ccccc4C3)C2=O)ccc1Cl,[*]N1CCN([*])C1=O,0.5672889,False
3093,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(-c2ccccc2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7784308,False
3094,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1cccc(-c2cccc(O)n2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80116343,False
3095,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.86529297,False
3096,O=C1N(CCOC2CCCC2)CCN1c1cc(Cl)ccn1,[*]N1CCN([*])C1=O,0.43304333,False
3097,CN(C)c1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8864645,False
3098,COc1c(C(=O)NCCN2CCN(c3ccccc3-c3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8964871,False
3099,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccnc2-c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8844676,False
3100,Cc1csc(N2CCN(c3cccc(C(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.19365147,False
3101,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1cccc(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8818579,False
3102,O=C1N(CCN2CC3CCc4ccccc4C3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8260305,False
3103,O=C1N(CCN2CCN(CC(F)(F)F)CC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.7616086,False
3104,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc(-c2ccco2)c1,[*]N1CCN([*])C1=O,0.49677148,False
3105,O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1c1cccc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.4112168,False
3106,CC(CN1CCN(c2ccc(C(F)(F)F)s2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.35995072,False
3107,CC12CCC3(CN(CCN4CCN(c5cccc(Cl)c5)C4=O)C3C1)C2(C)C,[*]N1CCN([*])C1=O,0.7964486,False
3108,CCCN(C)C1COc2c(cccc2-c2ccc(OC(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6568857,False
3109,CN1CCN(CCN2CCN(c3ccc(F)c(F)c3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.6645638,False
3110,CS(=O)(=O)c1cccc(N2CCN(CCN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.85270077,False
3111,Cc1nc2cc(N3CCN(CCN4CCc5ccccc5N4)C3=O)ccc2s1,[*]N1CCN([*])C1=O,0.5578725,False
3112,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccnc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9367923,True
3113,O=C1N(CC2CCNCC2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.55520046,False
3114,O=C1N(CCN2C3CCC2CC3)CCN1c1cccc(Cl)n1,[*]N1CCN([*])C1=O,0.49977598,False
3115,O=C1N(CCN2CCC(CF)CC2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.72118074,False
3116,CC1(C)C2CCC1(N1CCN(CCN3C=CC=CC=C4CN(CC3)C4)C1=O)CC2,[*]N1CCN([*])C1=O,0.34464294,False
3117,CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7158226,False
3118,CN1C2CCC(C2)C1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.44233724,False
3119,CN1CCN(CN2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.4015302,False
3120,COc1cccc(N2CCN(CC3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.6110685,False
3121,N#Cc1cccc(N2CCN(CCOC3CCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.65499973,False
3122,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1cccc(-c2ccccc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8574227,False
3123,O=C1N(C2CCNOC2)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.22300005,False
3124,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.6368737,False
3125,CC12CC(CCOc3ccccc31)CN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.59470904,False
3126,CCN(CC(=O)OC)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.26640427,False
3127,CN(C)CCN1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.66761476,False
3128,CN(Cc1ccccc1)CN1CCN(C)C1=O,[*]N1CCN([*])C1=O,0.46339586,False
3129,COc1c(C(=O)NCCN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.858359,True
3130,O=C1N(CC2CCNCC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.5094992,False
3131,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.6399351,False
3132,O=C1Nc2ccccc2CN1CCN1CCN(c2sccc2-c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.6893141,False
3133,CC(=O)n1cccc1N1CCN(CCN2CCOCC2)C1=O,[*]N1CCN([*])C1=O,0.22932763,False
3134,CC12CC(CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.7965337,False
3135,CC12CCC(CN(CCN3CCN(c4ccccc4Cl)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.58924514,False
3136,CCN(C(C)C)C1COc2c(cccc2C(=O)C2CC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.25694302,False
3137,CN(CN1CCN(Cc2cccc(Cl)c2)C1=O)CC12CCC1CC2(C)C,[*]N1CCN([*])C1=O,0.49222645,False
3138,COCC1CCN(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.63936937,False
3139,Cc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccc(N)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.65683055,False
3140,Cc1cccc(CN2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7066308,False
3141,Cc1sccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7829847,False
3142,N#Cc1ccc(N2CCN(C3CCCCN3)C2=O)cc1,[*]N1CCN([*])C1=O,0.26422283,False
3143,O=C1N(CCN2C3CCCC2CC3)CCN1c1ccccc1[N+](=O)[O-],[*]N1CCN([*])C1=O,0.29774797,False
3144,O=C1N(CCN2CCCCCC2)CCN1c1cc(F)ccc1F,[*]N1CCN([*])C1=O,0.6954353,False
3145,CCCN(CCC(=O)N1CCC(C)CC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43765476,False
3146,CN(C)Cc1csc(N2CCN(CC(=O)N3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.16677564,False
3147,CN(CN1CCN(c2cccc(Cl)c2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.6371385,False
3148,COC(C)N1CCN(CC2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.3601261,False
3149,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34945905,False
3150,O=C1N(CC2CNCCC2F)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.5638201,False
3151,O=C1N(CCN2CCCCc3sccc3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.4994538,False
3152,O=C1N(CCN2CCCc3ccccc32)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.46475053,False
3153,O=C1N(CCN2Cc3ccccc3C2)CCN1c1c(Cl)cccc1Cl,[*]N1CCN([*])C1=O,0.8773278,False
3154,CC12CCC(CN(CN3CCN(c4ccc5c(c4)OCO5)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.46277606,False
3155,CN(Cc1ccccc1)CN1CCN(c2cccc(Br)c2)C1=O,[*]N1CCN([*])C1=O,0.4327679,False
3156,CNc1ccc(C(=O)NCC=CCN2CCN(c3cccc(F)c3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5967251,False
3157,COc1c(C(=O)NCCN2CCN(c3cccc4ccccc34)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.9269031,False
3158,Cc1cccc(N2CCN(C3CCNCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.2704869,False
3159,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccncc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97553647,True
3160,O=C1N(CN2CCN(Cc3ccc(Cl)cc3)CC2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.5909824,False
3161,CCCc1ccc(OC)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7444315,False
3162,Cc1ccoc1N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.44865027,False
3163,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc2cc(OCCF)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7985847,False
3164,O=C1N(CC2CCN(Cc3ccccc3)CC2)CCN1c1cccc2cccnc12,[*]N1CCN([*])C1=O,0.76275206,False
3165,O=C1N(CCN2CCCc3ccccc3C2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.7393458,False
3166,O=C1N(c2cccc(Cl)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.4139208,False
3167,O=C1N(c2cccc(S(=O)(=O)O)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.17117262,False
3168,CCCN(CC1CCCC1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.64571357,False
3169,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC12CCC(CC1(C)C)C2,[*]N1CCN([*])C1=O,0.83045137,False
3170,COc1ccc(CC(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81881094,False
3171,COc1cccc(N2CCN(CCN3CCC4(CCCC(C(F)(F)F)C4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.70132154,False
3172,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.98888683,False
3173,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1cc2ccccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91544664,False
3174,O=C1N(CC2COCCN2)CCN1c1sccc1-c1ccccc1,[*]N1CCN([*])C1=O,0.4246939,False
3175,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.63384867,False
3176,O=C1N(CCc2cccc(Cl)c2)CCN1CCN1CCN(c2cccc(Cl)c2)CC1,[*]N1CCN([*])C1=O,0.7935764,False
3177,CC(=O)n1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.5916747,False
3178,CC1CCC2CC3CC1N(CCN1CCN(c4cccc(Cl)c4)C1=O)C2C3,[*]N1CCN([*])C1=O,0.70711267,False
3179,COc1cccc(CN2CCN(CN3CCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.35433763,False
3180,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc([N+](=O)[O-])cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7714474,False
3181,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccc2[nH]ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44474927,False
3182,O=C1N(CCN2CCCN(c3cccc(Cl)c3)CC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.7904906,False
3183,O=C1N(CCN2CCOCC2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.37760642,False
3184,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccccc1Cl,[*]N1CCN([*])C1=O,0.8736482,True
3185,CC(c1ccc(Cl)cc1)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7811098,False
3186,CC1c2ccccc2CN1CCN1CCN(c2cc3ccccc3s2)C1=O,[*]N1CCN([*])C1=O,0.6494069,False
3187,CCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5384832,False
3188,Cc1cccc(CN(C)CCN2CCN(c3cccc(Cl)c3Cl)C2=O)c1,[*]N1CCN([*])C1=O,0.4808444,False
3189,O=C1N(CCN2C(=O)Cc3ccccc32)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.53664726,False
3190,O=C1N(CCOC2CCCC2)CCN1c1ccc(Cl)cn1,[*]N1CCN([*])C1=O,0.47638175,False
3191,O=C1N(Cc2cccc(Cl)c2)CCN1CC1CCCCN1,[*]N1CCN([*])C1=O,0.36165193,False
3192,O=C1N(c2ccc(Cl)cc2)CCN1C1CCCN(Cc2ccccc2)C1,[*]N1CCN([*])C1=O,0.5002374,False
3193,CC(=O)n1ccc2cc(N3CCN(CCN4Cc5ccccc5C4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.7335623,True
3194,CC(C)N1CCN(c2cc(Cl)ccc2F)C1=O,[*]N1CCN([*])C1=O,0.18699948,False
3195,CCN(CCC(=O)N1CCCC12CCCC2)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.32447484,False
3196,Cc1cc(N2CCN(c3ccc(Cl)cc3)C2=O)on1,[*]N1CCN([*])C1=O,0.13458869,False
3197,Cc1ccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)s1,[*]N1CCN([*])C1=O,0.7513547,False
3198,Cc1cccc(N2CCN(CC3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.4570009,False
3199,O=C(Cc1cc2ccccc2[nH]1)NCC=CCN1CCN(c2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43649665,False
3200,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.59696335,False
3201,CC1(C)CC2CC(CN(CCN3CCN(c4ccccc4Cl)C3=O)C2)C1,[*]N1CCN([*])C1=O,0.6151479,False
3202,CN(C)Cc1csc(N2CCN(Cc3ccccc3Cl)C2=O)c1,[*]N1CCN([*])C1=O,0.289493,False
3203,CN(Cc1cccc(Cl)c1)CN1CCN(C2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.49435785,False
3204,CN1CCCCC1N1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.35605013,False
3205,CN1CCN(Cc2ccccc2)C(CN2CCN(Cc3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.4582782,False
3206,COCC1C2CCC1N(CN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.49874437,False
3207,Cc1ccc(N2CCN(CCN(C)C)C2=O)s1,[*]N1CCN([*])C1=O,0.41208795,False
3208,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4CF)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8019107,False
3209,Cn1cccc1N1CCN(CCN2CCOCC2)C1=O,[*]N1CCN([*])C1=O,0.36815494,False
3210,O=C1N(CC2C3CNCC2C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.3100805,False
3211,O=C1N(Cc2cccc(F)c2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.6179113,False
3212,O=C1N(Cc2ccccc2)CCN1c1cc2ccccc2o1,[*]N1CCN([*])C1=O,0.3122964,False
3213,CCCN(CC1CC1)C1COc2c(cccc2-c2ccccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6111174,False
3214,CCCN(CCCN(C)C)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.66592014,False
3215,CCN(CCC1CC(=O)CCN1C(C)=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.35271582,False
3216,COC(C)N1CCN(C2CCN(CCc3ccccc3)CC2)C1=O,[*]N1CCN([*])C1=O,0.74829364,False
3217,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(O)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9064062,False
3218,O=C1N(CCN2CCC2C(F)(F)F)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8068969,False
3219,O=C1N(CCN2CCCc3sccc3C2)CCN1c1cccc2ncsc12,[*]N1CCN([*])C1=O,0.4784001,False
3220,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cc(F)ccc1Cl,[*]N1CCN([*])C1=O,0.67406434,False
3221,O=C1N(CCN2CCc3ccccc3N2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.5696121,False
3222,O=C1N(CCc2ccccc2)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.8463389,False
3223,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(F)o1,[*]N1CCN([*])C1=O,0.51424176,False
3224,O=C1Nc2ccccc2CN1CCN1CCN(c2ccc3occc3c2)C1=O,[*]N1CCN([*])C1=O,0.6514147,False
3225,CC1CCN(C(=O)CN2CCN(Cc3ccc(Cl)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.10674979,False
3226,CCCN(C)C1COc2c(cccc2-c2ccc(Br)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.72403824,False
3227,CCCN(CC1CCC(NC(=O)OC(C)(C)C)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43212086,False
3228,COc1cccc2c1OCC(N(C)CC1CCC(NC(=O)OC(C)(C)C)CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.29480782,False
3229,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccc(-c2ccc(O)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49381515,False
3230,O=C1N(CC2CCCNC2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.35839736,False
3231,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc(Cl)c(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.72355026,False
3232,CCN1Cc2ccccc2C(N2CCN(CN3Cc4ccccc4C3)C2=O)C1,[*]N1CCN([*])C1=O,0.61455184,False
3233,CN(C)CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.40178913,False
3234,CN(C)Cc1csc(N2CCN(CC3OCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.36518803,False
3235,COc1cccc(OC)c1N1CCN(CC=CCNC(=O)c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3942449,False
3236,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccsc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9496883,False
3237,Cc1nc2ccc(N3CCN(CCN4Cc5ccccc5C4)C3=O)cc2s1,[*]N1CCN([*])C1=O,0.65579355,False
3238,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc2c(c1)-c1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78901404,False
3239,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6324423,False
3240,O=C1N(CCN2CCN(Cc3ccccc3)CC2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7076791,False
3241,O=C1N(CCN2Cc3ccccc3C2)CCN1c1oncc1-c1ccccc1,[*]N1CCN([*])C1=O,0.73101753,False
3242,CC(C)(C)c1ccc(N2CCN(CN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.6184912,False
3243,CC1(C)CCC2N(CCN3CCN(c4ccccc4Cl)C3=O)CCC21C,[*]N1CCN([*])C1=O,0.34893382,False
3244,CC1c2ccccc2CN1CCN1CCN(c2cccc(-c3cccs3)c2)C1=O,[*]N1CCN([*])C1=O,0.7255394,False
3245,CCN(C(C)C)C1COc2c(cccc2OS(=O)(=O)C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40973356,False
3246,Cc1cncc(N2CCN(CCN3CCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.35220772,False
3247,CC1(C)CC2(C)CC1CCN2CCN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.6752291,False
3248,CCN(CC)C1COc2c(cccc2-c2cccc([N+](=O)[O-])c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.38490134,False
3249,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc(-c4cccnc4)c3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7734969,False
3250,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1ccc(-c2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9096292,False
3251,O=C1N(Cc2ccccc2C(F)(F)F)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.6289839,False
3252,CC(C)OC1CCN(CN2CCN(c3cccc(Cl)c3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.560403,False
3253,CC1Cc2ccccc2N1CN1CCN(CN(C)Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.39595878,False
3254,CCCN(CCCN(C)C)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6181898,False
3255,CCN1CCCC1CNC(=O)c1c(OC)ccc(S)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.86722606,False
3256,CCc1ccc(OC)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9432739,False
3257,COc1cc(Br)cc(N2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6914539,False
3258,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8995422,False
3259,O=C1N(CC2CCNCC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.50959927,False
3260,CC1(CN2CCN(c3cccc(Cl)c3)C2=O)Cc2ccccc2C2CCCN(C2)C1,[*]N1CCN([*])C1=O,0.5424546,False
3261,CCCN(CC1CCCC1)C1COc2c(cccc2OC(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.67099583,False
3262,CCN1CCN(c2cc3ccccc3s2)C1=O,[*]N1CCN([*])C1=O,0.33385074,False
3263,CN(C)Cc1csc(N2CCN(c3cccc4c3ccc3ccccc34)C2=O)c1,[*]N1CCN([*])C1=O,0.26669776,False
3264,CN(CCN1CCN(CCN2Cc3ccccc3C2)C1=O)Cc1ccccc1,[*]N1CCN([*])C1=O,0.7805144,False
3265,N#Cc1cc(N2CCN(CCN3CCc4ccccc4C3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.7507011,False
3266,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc2ccc(O)cc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8155906,False
3267,CC1(C)C2CCC13C(CCN3CCN1CCN(c3ccccc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.40125307,False
3268,CCCCN(C(C)C)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5450378,False
3269,Cc1ccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)cc1C,[*]N1CCN([*])C1=O,0.69959456,False
3270,O=C(NCC=CCN1CCN(CCF)CC1)c1ccc(-c2ccc(O)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39595512,False
3271,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccccc2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92353904,False
3272,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8146975,False
3273,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(-c2cccc(OCCF)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67839736,False
3274,O=C1N(CC23CCC(CC2)C3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.3770517,False
3275,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccc2cc(Cl)ccc2c1,[*]N1CCN([*])C1=O,0.50612897,False
3276,CCCCN(CCC)C1COc2c(cccc2-c2cc[nH]c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7547238,False
3277,CN1CCC(CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.718017,False
3278,COC(C)N1CCN(CCN2CCN(c3ccccc3Cl)CC2)C1=O,[*]N1CCN([*])C1=O,0.7286543,False
3279,COC(C)N1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.36151752,False
3280,COc1ccccc1CN1CCN(CC=CCNC(=O)c2ccc(-c3cccc(C)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.22564338,False
3281,Cc1cccc(N2CCN(CC(=O)N3CCC(C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.16270305,False
3282,Cc1ccccc1N1CCN(CCN2CCCCCC2)C1=O,[*]N1CCN([*])C1=O,0.57160205,True
3283,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.6613195,False
3284,O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.6111821,False
3285,O=C1N(c2cccc(F)c2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.25560996,False
3286,CC1CCC2(CN3CCN(c4ccc5c(c4)OCO5)C3=O)CC(C)(C1)C2,[*]N1CCN([*])C1=O,0.28824392,False
3287,CCCCc1ccc(OC)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.85128087,True
3288,CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71204686,False
3289,CCOc1c(C(=O)NCCN2CCN(c3ccccc3OC)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8818306,False
3290,COc1cccc2[nH]cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92743313,False
3291,Cc1nc2cc(CN3CCN(CCN4Cc5ccccc5C4)C3=O)ccc2s1,[*]N1CCN([*])C1=O,0.6842939,False
3292,O=C1N(Cc2cccc(Cl)c2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.4126975,False
3293,CCCCN(CCC)C1COc2c(cccc2C(=O)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56649077,False
3294,CN(CN1CCN(c2ccccc2Cl)C1=O)CC12CCC(C)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.32692638,False
3295,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3C)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.61834055,False
3296,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(F)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8478547,False
3297,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(N(C)C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95000875,False
3298,Cc1ccccc1N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5017364,False
3299,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8511178,False
3300,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1cccc(Cl)n1,[*]N1CCN([*])C1=O,0.7300978,False
3301,CCCN(CCCN(C)C)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.68759525,False
3302,CN(C)Cc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.86095375,False
3303,COc1cccc(N2CCN(c3cccc(CN4Cc5ccccc5C4)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.5970248,False
3304,Cc1cccc(N2CCN(CCN3C4CCC(C(C)(C)C4)C3(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.5834013,False
3305,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc2ccccc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81438696,False
3306,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(C([O-])(F)F)c1,[*]N1CCN([*])C1=O,0.7819959,False
3307,O=C1N(c2ccccc2Cl)CCN1C1CC2CCC1CN2c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.26982495,False
3308,CC1CCCN(CCN2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.69848263,False
3309,CCCN(C(C)C)C1COc2c(cccc2C(=O)c2ccc3ccccc3c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.33242357,False
3310,CCCN(CCC)C1COc2c(cccc2-c2ccc([N+](=O)[O-])cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6621959,False
3311,CCN(C)CCN1CCN(c2ccc3c(c2)OCO3)C1=O,[*]N1CCN([*])C1=O,0.5473527,False
3312,Cc1cc(CN2CCN(c3ccc4c(c3)OCCN4)C2=O)on1,[*]N1CCN([*])C1=O,0.22411847,False
3313,Cc1ccc(N2CCN(CC3CCCCN3)C2=O)o1,[*]N1CCN([*])C1=O,0.3618959,False
3314,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccc(O)c(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.79079133,False
3315,O=C1N(CCN2CCC3COC2C3c2ccccc2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.33269393,False
3316,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(F)c(F)c1,[*]N1CCN([*])C1=O,0.86116767,False
3317,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccsc1-c1ccsc1,[*]N1CCN([*])C1=O,0.5802329,False
3318,O=C1N(c2ccc(Cl)cc2Cl)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.26661026,False
3319,CC1(C)CCN(CCN2CCN(c3cccc(Cl)c3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.7535911,False
3320,CC1CCN(C(=O)CCN(c2ccc(F)cc2)C2COc3c(F)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.24611785,False
3321,CCCN(CC1CCCC1)C1COc2c(cccc2C(=O)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40379027,False
3322,COC(=O)N1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.1181578,False
3323,COc1cccc2c1OCC(N(CCc1cccs1)CC1CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5472678,False
3324,Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1C,[*]N1CCN([*])C1=O,0.876598,False
3325,N#Cc1ccc(N2CCN(CCN3CCCc4ccccc43)C2=O)cc1,[*]N1CCN([*])C1=O,0.47439176,False
3326,O=C1N(CC2CCCCCN2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.40559098,False
3327,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(Cl)cs1,[*]N1CCN([*])C1=O,0.7403929,False
3328,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(-c2ccsc2)c1,[*]N1CCN([*])C1=O,0.8949616,False
3329,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccccc1-c1cncs1,[*]N1CCN([*])C1=O,0.45856783,False
3330,CN(CN1CCN(c2ccccc2)C1=O)CC12CCC1CC2(C)C,[*]N1CCN([*])C1=O,0.589999,False
3331,COc1ccc(F)cc1N1CCN(CCN2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.7724892,False
3332,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(F)cc3)cn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92387843,False
3333,Cc1cccc(N2CCN(CN(C)CC34CCC3CC4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.62706435,False
3334,O=C1N(CN2Cc3ccccc3C2)CCN1c1cc(Cl)cc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.55542374,False
3335,O=C1N(c2cccs2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.16209017,False
3336,CC(C)(C)c1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.9245975,True
3337,CC1(C)C2CCC1(N1CCN(CN3CCN(Cc4ccccc4)CC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.601199,False
3338,CC1(C)C2CCC13CCN(CCN1CCN(c4ccccc4F)C1=O)C3C2,[*]N1CCN([*])C1=O,0.49920985,False
3339,CCCN(CCC)C1COc2c(cccc2C(F)(F)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.80713975,False
3340,CCN1CCN(c2cc(C)no2)C1=O,[*]N1CCN([*])C1=O,0.19390906,False
3341,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c3ccc(OCCF)cc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9380295,False
3342,CS(=O)(=O)c1cccc(N2CCN(C3CCNCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.27338937,False
3343,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.973975,True
3344,CC(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77490675,False
3345,CC12CCC(CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1)C2CO,[*]N1CCN([*])C1=O,0.65873647,False
3346,CCN(CC1(C)CCC1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.531868,False
3347,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(-c3ccc(C)cc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71148986,False
3348,CN(Cc1cccs1)CN1CCN(c2cccc(Cl)c2Cl)C1=O,[*]N1CCN([*])C1=O,0.3342905,False
3349,COCC1CCCN1CN1CCN(c2cccc(Cl)n2)C1=O,[*]N1CCN([*])C1=O,0.3428848,False
3350,COc1c(C(=O)NCCN2CCN(c3cccc(C#N)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.864096,False
3351,COc1csc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.6834684,False
3352,CC1CCN(C(=O)CN2CCN(C3COOC3)C2=O)CC1,[*]N1CCN([*])C1=O,0.14730677,False
3353,CCCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.72076094,False
3354,CCCN(CCCCN1CCC(=O)CC2(CCCC2)C1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6640019,False
3355,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.899268,False
3356,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccnc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9360166,False
3357,Nc1ncccc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80239666,False
3358,O=C1N(CC2CCCCCN2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.35693064,False
3359,O=C1N(CC2CCCN2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.4273279,False
3360,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.7476159,False
3361,CC(C)N1CCN(CN2CCN(c3cccc(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.4398157,False
3362,CC1(C)C2CCC1(N1CCN(c3cccc(N4CCOCC4)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.27877733,False
3363,CCN1CCCC1CNC(=O)c1c(C)ccc(Cc2ccccc2)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6815381,False
3364,CCN1CCCCC1CN1CCN(c2cccc(OC)c2)C1=O,[*]N1CCN([*])C1=O,0.4741272,False
3365,CN(Cc1cccc(Cl)c1)CN1CCN(CN2CCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.3146926,False
3366,COc1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.7947027,False
3367,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc(CN2CCCC2)c1,[*]N1CCN([*])C1=O,0.50615615,False
3368,C=CCN1CCCC1CNC(=O)c1c(Br)ccc(Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.58926797,False
3369,CC12CCC(N3CCN(CCN4CCCCC4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.48999223,False
3370,CCCN(CCC)C1COc2c(cccc2C(=O)c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.61220837,False
3371,CCN1CCCC1CNC(=O)c1c([N+](=O)[O-])ccc(Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6231866,False
3372,CSc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60343796,False
3373,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)C(=O)c1ccc2c(c1)Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7472835,False
3374,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1ccc(-c2cccc(O)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5086989,False
3375,CC1(C)CCCN(CCN2CCN(c3ccc4c(c3)OCO4)C2=O)C1,[*]N1CCN([*])C1=O,0.5047359,False
3376,CC1(CN2CCN(c3ccccc3F)C2=O)CCNC1,[*]N1CCN([*])C1=O,0.30052698,False
3377,CCCN(C)C1COc2c(cccc2-c2ccc([N+](=O)[O-])cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54029566,False
3378,CN(C)c1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9623077,False
3379,Cc1cc(N2CCN(CCOC3CCCC3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.5149775,False
3380,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5143274,False
3381,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86751443,False
3382,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9639431,False
3383,O=C1N(CCN2CC3CCCC(C2)c2ccccc2C3)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.6205991,False
3384,CC(C)N1CCN(CCN2CCN(c3cc(Cl)ccn3)C2=O)CC1,[*]N1CCN([*])C1=O,0.637838,False
3385,CC1(C)CC2CCC1(C)CN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.70333666,False
3386,CCN(C(C)C)C1COc2c(cccc2-c2ccc(C(C)(C)C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4516528,False
3387,CN(Cc1cc2ccccc2s1)CN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.445791,False
3388,COCC1CCN(CCN2CCN(c3ccccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.63989514,False
3389,Cc1ccc(N2CCN(C3CCCCN3)C2=O)cc1,[*]N1CCN([*])C1=O,0.19677976,False
3390,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Br)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97489184,False
3391,CCN(CC(=O)N1CCCCC12CC(=O)C(O)C2)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.26938444,False
3392,CN(Cc1cc2ccccc2s1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.45188302,False
3393,Cc1cc(CN2CCN(c3cccc(C(F)(F)F)c3)C2=O)on1,[*]N1CCN([*])C1=O,0.25670126,False
3394,Cc1csc(N2CCN(CN3CCN(c4ccccc4C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.4836032,False
3395,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1ccc(-c2ccccc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89433736,False
3396,O=C1N(Cc2ccc3sccc3c2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.54509085,False
3397,O=C1N(NC2CCCC(C(F)(F)F)C2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.26614952,False
3398,C=CCN(CCCCN1C(=O)CC(C)(C)CC1=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5601687,False
3399,CC(C1Cc2ccccc2N1)N1CCN(C2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.34078386,False
3400,CCCN(CCC)C1COc2c(cccc2Oc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7799102,False
3401,COc1cccc2c1OCC(N(Cc1ccccc1)CC1CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5536066,False
3402,Cc1ccc(N2CCN(CCN3Cc4ccccc4NC3=O)C2=O)cn1,[*]N1CCN([*])C1=O,0.5340419,False
3403,O=C(CNCc1ccccc1)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7539658,False
3404,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cnc[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8532294,False
3405,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1cc[nH]c1-c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6343787,False
3406,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(F)cc1Cl,[*]N1CCN([*])C1=O,0.6024477,False
3407,C=CCN(CCCN1C(=O)CN(c2ccccc2)C1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4796548,False
3408,CC1(C)C2CCC1(N1CCN(Cc3ccc4ccccc4c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.3419791,False
3409,CC1(C)CC2C(CCN2CN2CCN(c3cccc(Cl)c3)C2=O)OC1(C)C,[*]N1CCN([*])C1=O,0.6140743,False
3410,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88528776,False
3411,CN(C)c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6056632,False
3412,COc1cccc(N2CCN(CN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.44850793,False
3413,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3ccccc3n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90971076,False
3414,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.61113715,False
3415,CC1(C)CC2CC(C)(CCN2CCN2CCN(c3ccccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.41224056,False
3416,CCN(CC1CCC(NC(C)=O)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.28067607,False
3417,CN(Cc1ccccc1)CN1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.59986216,False
3418,COc1cccc2c1CCN(CCN1CCN(c3cccc(CN4Cc5ccccc5C4)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.70787555,False
3419,Cc1ccc2c(N3CCN(CCN4Cc5ccccc5C4)C3=O)csc2n1,[*]N1CCN([*])C1=O,0.7307853,False
3420,Cc1cccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.81479704,False
3421,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.89790916,False
3422,CC1(C)C2CCC1(N1CCN(C3CCCN3Cc3ccccc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.34906155,False
3423,CCOc1ccc2[nH]c(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87235725,False
3424,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2c(C)cccc2N)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7734441,False
3425,Cc1c(OCCF)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccsc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6328544,False
3426,Cc1ccc(N2CCN(CC3COCCN3)C2=O)cn1,[*]N1CCN([*])C1=O,0.19906946,False
3427,Cc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9291389,False
3428,N#Cc1cccc(N2CCN(CC3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.61775964,False
3429,NC(=O)c1cccc(N2CCN(C3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.12427511,False
3430,O=C(NCC=CCN1CCN(Cc2ccccc2OCCF)CC1)c1ccc(-c2ccc(O)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35838696,False
3431,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccsc1-c1ccccc1,[*]N1CCN([*])C1=O,0.64284533,False
3432,CC1CN(CCN2CCN(c3cccc(Cl)c3)C2=O)C2CCCN12,[*]N1CCN([*])C1=O,0.7566338,False
3433,CCN(C(C)C)C1COc2c(cccc2C(=O)O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.26712713,False
3434,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(F)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86911416,False
3435,Cc1ccc(N2CCN(CC3CCCCN3C)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.50937265,False
3436,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccc(C=O)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7167873,False
3437,O=C(COc1ccc(OCCF)cc1)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.561554,False
3438,O=C1N(CCN2CCCC(C(F)(F)F)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.62213206,False
3439,O=C1N(CCc2cccc(Cl)c2)CCN1CCN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.8215438,False
3440,CC(C)N1CCN(CCN2CCN(c3ccc(F)c(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.778631,False
3441,CC1(C)C2CCC3N(CCN4CCN(c5cccc(Cl)c5)C4=O)CCC31CC2,[*]N1CCN([*])C1=O,0.668425,False
3442,CC12CCC(N3CCN(c4cc(Cl)cc(Cl)c4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.2625893,False
3443,CCC12CCC3N(CCN4CCN(c5cccc(Cl)c5)C4=O)CCC31CC2,[*]N1CCN([*])C1=O,0.76582164,False
3444,COc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7651135,False
3445,N#Cc1cc(F)cc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.7720338,False
3446,O=C1N(CCN2CC3Cc4ccccc4C2C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5519197,False
3447,CC(=O)NCC=CCN1CCN(c2cc(C(F)(F)F)nc(C(C)(C)C)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42657667,False
3448,CCCN(CC1CC1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6724785,False
3449,O=C(NCC=CCN1CCN(c2ccc(OCCF)cc2)CC1)c1ccc(Br)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4179163,False
3450,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccc(Cl)cc1F,[*]N1CCN([*])C1=O,0.775583,False
3451,O=C1N(CCN2CCOc3ccccc3C2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.64502966,False
3452,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc2c1OCO2,[*]N1CCN([*])C1=O,0.52471787,False
3453,O=C1N(Cc2ccccc2)CCN1CN1CCc2ccccc21,[*]N1CCN([*])C1=O,0.3779128,False
3454,CCN1CCCC1CNC(=O)c1c(Cl)ccc(Cl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.90478235,False
3455,COc1c(C(=O)NCCN2CCN(c3cccc(C)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.888218,True
3456,Cc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)OCO3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4893241,False
3457,O=C(NCC=CCN1CCN(c2cccc(Cl)c2CF)CC1)c1ccc(-c2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74930334,False
3458,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1cc2ccccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86050934,False
3459,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc([N+](=O)[O-])cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83562255,False
3460,O=C1N(CCN2CCCC(c3ccccc3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8912808,False
3461,O=C1N(CCN2CCCCC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.81408155,False
3462,O=C1N(CCN2CCCc3ccccc32)CCN1c1cccc(-c2ccsc2)c1,[*]N1CCN([*])C1=O,0.5430586,False
3463,CC12CCC(CC1)CN(CCN1CCN(c3ccc(Cl)cc3)C1=O)C2,[*]N1CCN([*])C1=O,0.6949842,False
3464,CN(C)S(=O)(=O)c1cccc(N2CCN(CC3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.55300444,False
3465,CNc1ccc(C(=O)NCC=CCN2CCN(c3cc(C(F)(F)F)cc(Cl)n3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40619507,False
3466,COc1cccc(N2CCN(CCN3CCCN(C(C)C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.9012769,False
3467,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccsc1-c1ccncc1,[*]N1CCN([*])C1=O,0.65050477,False
3468,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc2sccc12,[*]N1CCN([*])C1=O,0.5695296,False
3469,O=C1N(c2ccccc2Cl)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.24903183,False
3470,C=CCN1CCCC1CNC(=O)c1c(Br)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.60674894,False
3471,CCN(C(C)C)C1COc2c(cccc2-c2cccc(C(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4147801,False
3472,CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.3046843,False
3473,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1cccc2c1-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.897336,False
3474,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1ccc2ccccc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49994797,False
3475,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(N(O)CCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7718664,False
3476,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.69831467,False
3477,O=C1N(CNCC2CCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.3805671,False
3478,CC1(C)C2CCC1(N1CCN(CN3CCN(c4ccc(Cl)cc4)CC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.49127457,False
3479,CC1CCN(C(=O)CN2CCN(c3cccc(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.18954739,False
3480,CCCN(CC)C1COc2c(cccc2-c2ccc(Br)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71632564,False
3481,CCN(CC)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6083978,False
3482,CN1CCN(CCN2CCN(c3ccc(F)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.76790947,False
3483,Cc1ccc(CN2CCN(c3ccccc3)C2=O)o1,[*]N1CCN([*])C1=O,0.25243855,False
3484,N#Cc1cccc(N2CCN(C3CCCNC3)C2=O)c1,[*]N1CCN([*])C1=O,0.41128644,False
3485,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc2c1Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79515696,False
3486,O=C1N(CC(F)(F)F)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.29599494,False
3487,O=C1N(Cc2cccc(Cl)c2)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.37200245,False
3488,CC(C)c1cccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8162007,False
3489,CC(CN1CCN(c2cccc(F)c2)C1=O)N1CCCCC1,[*]N1CCN([*])C1=O,0.28870976,False
3490,CC1(C)C2CCC13CCN(CCN1CCN(c4ccc5c(c4)OCO5)C1=O)C2C3,[*]N1CCN([*])C1=O,0.53437454,False
3491,CCCN(CCCN1CCN(c2ccccc2)C1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.728776,False
3492,CN1CCCCC1CN1CCN(c2ccc(Cl)c(F)c2)C1=O,[*]N1CCN([*])C1=O,0.5755701,False
3493,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84307116,False
3494,O=C1N(CC2CCCCN2)CCN1c1ccc(F)c(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.52730453,False
3495,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.5353639,False
3496,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(-c2cccs2)cc1,[*]N1CCN([*])C1=O,0.59019107,False
3497,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.53651094,False
3498,CC(C)(C)c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.95970005,False
3499,CC(CCN1CCN(c2cccc(CN(C)C)c2)C1=O)N1CCc2ccccc21,[*]N1CCN([*])C1=O,0.5324777,False
3500,COc1cccc(CN2CCN(CCN3CCN(C(C)C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.6747607,False
3501,COc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6980861,False
3502,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(F)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86107504,False
3503,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.88732433,False
3504,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.6684723,False
3505,O=C1N(CN2CC3CCC(CC3)C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5518635,False
3506,CC(C)OC1CCCN1CN1CCN(c2ccccc2F)C1=O,[*]N1CCN([*])C1=O,0.3411613,False
3507,CC1(C)CC2CC(C)(CN2CCN2CCN(c3ccc(Cl)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.55141675,False
3508,CC1(C)CC2CN(CCN3CCN(c4ccccc4Cl)C3=O)C(C)(C2)C1,[*]N1CCN([*])C1=O,0.41977903,False
3509,CC12CCCC(CN(CCN3CCN(c4ccccc4Cl)C3=O)C1)C2,[*]N1CCN([*])C1=O,0.5989709,False
3510,CC1CCCN(CCN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.69790983,False
3511,CN1CCc2c1cccc2N1CCN(CC(=O)N2CCc3c(F)cccc32)C1=O,[*]N1CCN([*])C1=O,0.2282756,False
3512,COc1cccc(CN2CCN(c3cccc(C(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.42477095,False
3513,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(F)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86998373,False
3514,O=C1N(CCN2CCCCCC2)CCN1c1cc(Cl)cc(C(F)(F)F)n1,[*]N1CCN([*])C1=O,0.66203845,False
3515,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.8142213,False
3516,O=C1N(CCN2CCOCC2)CCN1c1cccc(F)c1Cl,[*]N1CCN([*])C1=O,0.28111535,False
3517,CC1CC2(CN3CCN(c4ccccc4Cl)C3=O)CCN1C2(C)C,[*]N1CCN([*])C1=O,0.26591426,False
3518,CN(CN1CCN(c2ccc(CN3CCOC3)cc2)C1=O)CC12CCC1CC2(C)C,[*]N1CCN([*])C1=O,0.47060472,False
3519,COc1cccc2c1CCCC21CCN(CCN2CCN(c3cccc(CN(C)C)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.52537835,False
3520,COc1cccc2c1OCC(N(CC1CCCO1)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.23701528,False
3521,O=C(CNCc1ccccc1F)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7366992,False
3522,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1cccnc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43220425,False
3523,O=C1N(CC2CCCCN2)CCN1c1ncccn1,[*]N1CCN([*])C1=O,0.47121,False
3524,O=C1N(CCN2CC3CCCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.83856964,False
3525,O=C1N(CCOC2CCCC2)CCN1c1ccc(C(F)(F)F)cc1,[*]N1CCN([*])C1=O,0.5363401,False
3526,CC(=O)c1cccc(N2CCN(CCOC3CCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.3740494,False
3527,CCN1CCN(CCN2CCN(c3ccccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.63216186,False
3528,CN1CCN(CCN2CCN(c3cc(Cl)cs3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5722803,False
3529,Cc1ccc(N2CCN(CCN3CCCc4ccccc43)C2=O)cn1,[*]N1CCN([*])C1=O,0.37304854,False
3530,Cc1nc2cc(N3CCN(CCN4Cc5ccccc5C4)C3=O)ccc2o1,[*]N1CCN([*])C1=O,0.7205743,False
3531,O=C(NCC=CCN1CCN(c2ccccc2CCF)CC1)c1c[nH]c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72278684,False
3532,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.7807554,False
3533,O=C1N(CN2CCC(c3ccccc3Cl)CC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.55941415,False
3534,CCCN(C)C1COc2c(cccc2C(=O)c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5417869,False
3535,CN(Cc1ccccc1)CN1CCN(C2CCc3ccccc3O2)C1=O,[*]N1CCN([*])C1=O,0.44419307,False
3536,COc1cccc(CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.4900055,False
3537,COc1cccc2c1CCN(CCN1CCN(CN(C)Cc3ccccc3)C1=O)C2,[*]N1CCN([*])C1=O,0.61557865,False
3538,Cc1nc2cc(N3CCN(CN4Cc5ccccc5C4)C3=O)ccc2s1,[*]N1CCN([*])C1=O,0.52775294,False
3539,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1cc2cc(O)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5018867,False
3540,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8675352,False
3541,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc2cc(O)[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8406204,False
3542,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccc(F)c(F)c1,[*]N1CCN([*])C1=O,0.44759712,False
3543,CC1(C)CC2CCC(C2)N1CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.4907078,False
3544,CCN(CCC(=O)N1CCC(C)CC1)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.25709772,False
3545,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3[nH]ccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79178554,False
3546,CN(Cc1ccccc1)CN1CCN(c2cccc(O)c2)C1=O,[*]N1CCN([*])C1=O,0.37164953,False
3547,Cc1ccc(N2CCN(CCN3CCCc4ccccc43)C2=O)nc1,[*]N1CCN([*])C1=O,0.34432754,False
3548,Cc1cccc(N2CCN(CCN3CC4CC(C)(C3)CC4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.7310151,False
3549,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96114606,False
3550,O=C1N(CC2NCCCO2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.45615336,False
3551,O=C1Nc2ccccc2CN1CCN1CCN(c2cc(F)cc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.6506929,False
3552,CC1CCN(C(=O)CCN(C)C2COc3c(cccc3[N+](=O)[O-])C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.19509163,False
3553,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7778916,False
3554,O=C1N(CCN2CCC(C(F)(F)F)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.67359203,False
3555,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.7817166,False
3556,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.8632088,False
3557,O=C1N(CCOC2CCCC2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.6190314,False
3558,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.49798265,False
3559,O=C1N(c2cc(-c3ccccc3)cc(Cl)n2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.27980912,False
3560,CC1(C)C2CCC1(N1CCN(C3CCN(Cc4ccc(F)cc4)CC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.64611757,False
3561,CC1Cc2ccccc2N1CN1CCN(Cc2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.44062585,False
3562,CCOc1c(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)cc(Br)c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8593138,False
3563,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91016763,False
3564,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2CCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.924312,False
3565,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc2c(c1)Cc1ccc(O)cc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.829198,False
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3567,CC1CC12CCN(CCN1CCN(c3cccc(Cl)c3)C1=O)C1CCC1C2(C)C,[*]N1CCN([*])C1=O,0.7278522,False
3568,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3cc(OC)ccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86932623,False
3569,CN(Cc1ccccc1)CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.37319732,False
3570,CN(Cc1cccs1)CN1CCN(C2COOC2)C1=O,[*]N1CCN([*])C1=O,0.36381567,False
3571,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc2ccc1CCc1ccc(cc1)CC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7198895,False
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3573,CC1(C)CCN(CCN2CCN(c3cccc(C(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.86103976,False
3574,CC12CCC(N3CCN(C4Cc5ccccc5C4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.39160198,False
3575,CCCN(C(C)C)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45024875,False
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3577,COc1ccccc1N1CCN(CC=CCNC(=O)C=O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8715616,False
3578,Nc1cccc(N2CCN(CCOC3CCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.6819871,False
3579,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1ccc(-c2ccncc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8955583,False
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3581,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.799034,False
3582,O=C1N(c2cccc(Cl)c2F)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.23785092,False
3583,CC(C)N1CCN(CCN(C)C)C1=O,[*]N1CCN([*])C1=O,0.3763407,False
3584,CC(C)N1CCN(CCN2CCN(c3cc(F)ccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.7012818,False
3585,CC(C)N1CCN(CCN2CCN(c3cccc(F)c3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.7336027,False
3586,CC1(C)C2CCC1(N1CCN(CCN3CCCNC3=O)C1=O)CC2,[*]N1CCN([*])C1=O,0.37358627,False
3587,CCN(CC)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.55212045,False
3588,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3cc(OC)ccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83406174,False
3589,CN(CCN1CCN(Cc2ccccc2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.5541033,False
3590,Cc1ccc(N2CCN(CCN3Cc4ccccc4NC3=O)C2=O)s1,[*]N1CCN([*])C1=O,0.61030287,False
3591,Cc1cccc(N2CCN(CN(C)CC34CCC(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.54258204,False
3592,O=C1N(CCN2CCCc3sccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.69895476,False
3593,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cc(F)c(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.6018575,False
3594,CC1(C)CC2CC(N3CCN(c4cccc(C(F)(F)F)c4)C3=O)(C2)C1,[*]N1CCN([*])C1=O,0.26720092,False
3595,CCCN(CC)C1COc2c(cccc2-c2cccc(OC)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6511505,False
3596,CCCN(CCN1CCN(c2ccccc2)C1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.68741876,False
3597,CN(Cc1cccs1)CN1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.31785768,False
3598,CN1CCCCC1CN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6043397,False
3599,O=C1N(Cc2ccc(F)c(Cl)c2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.6366789,False
3600,O=C1N(c2cccc(CN3CCCC3)c2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.41503552,False
3601,CC1CCCCN1CN1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.33033082,False
3602,CCCN(C(C)C)C1COc2c(cccc2C(=O)OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3867083,False
3603,CCCN(CCC(N)=O)C1COc2c(cccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6388572,False
3604,COc1ccc2c(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9639206,True
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3608,O=C1Nc2ccccc2CN1CCN1CCN(c2cccs2)C1=O,[*]N1CCN([*])C1=O,0.4090851,False
3609,C#COc1cccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.91422236,False
3610,CC(C)N1CCN(CN2CCN(c3ccccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.42252827,False
3611,CCCN(C)C1COc2c(cccc2C(=O)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.50530237,False
3612,CCCN(CCC)C1COc2c(cccc2-c2ccc(C(C)=O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6173125,False
3613,Cc1ccc(N2CCN(CCN3CCCCCC3)C2=O)cc1F,[*]N1CCN([*])C1=O,0.80558705,False
3614,Cc1ccc(N2CCN(CCN3CCN(c4ccccn4)CC3)C2=O)o1,[*]N1CCN([*])C1=O,0.67145675,False
3615,Cn1cccc1N1CCN(CCN2CCCCCC2)C1=O,[*]N1CCN([*])C1=O,0.76923746,False
3616,O=C1N(CCN2C3CCCC2c2cccc(O)c2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5724775,False
3617,O=C1N(CN2Cc3ccccc3C2)CCN1c1cc(F)cc2ccc(F)cc12,[*]N1CCN([*])C1=O,0.56416136,False
3618,CC(C)N(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52270263,False
3619,CN(CN1CCN(c2cccc(Cl)c2)C1=O)CC12CCC1CC2(C)C,[*]N1CCN([*])C1=O,0.75108665,False
3620,COc1cc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c2cc(OC)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9371233,False
3621,COc1cccc(N2CCN(CCN(C)Cc3cc4ccccc4s3)C2=O)c1,[*]N1CCN([*])C1=O,0.6938742,False
3622,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1Cc1ccccc1Cl,[*]N1CCN([*])C1=O,0.7516618,False
3623,O=C1N(CN2CCc3ccccc3C2)CCN1c1ccc(C(F)(F)F)s1,[*]N1CCN([*])C1=O,0.5211823,False
3624,O=C1N(c2ccc(Cl)cc2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.2620224,False
3625,CC12CCC(CC1)CN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.78789896,False
3626,CCCc1ccc(OCC)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.86659914,False
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3630,O=C1N(CC2CCCCN2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.43052906,False
3631,O=C1N(c2ccc(C(F)(F)F)s2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.25048098,False
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3633,CC1(C)CC2CC(C)(CN2CCN2CCN(c3ccccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.42656437,False
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3636,CCN1CCCCCC1N1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.24878979,False
3637,CN(Cc1ccccc1)CN1CCN(c2cc(Cl)ccc2F)C1=O,[*]N1CCN([*])C1=O,0.36053488,False
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3639,COc1ccccc1N1CCN(c2cc(CN(C)C)cs2)C1=O,[*]N1CCN([*])C1=O,0.28463075,False
3640,O=C1N(c2ccccc2Cl)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.21023795,False
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3642,CC12CCC(N3CCN(CCN4CCN(Cc5ccc(Cl)cc5)C4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.5734324,False
3643,CC1CC(=O)Nc2cc(CN3CCN(c4cccc5cccnc45)C3=O)ccc21,[*]N1CCN([*])C1=O,0.28248343,False
3644,CCN1CCCC1CNC(=O)c1c(OC)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9659369,True
3645,COc1ccccc1N1CCN(CC(F)F)C1=O,[*]N1CCN([*])C1=O,0.24144882,False
3646,Cc1csc(N2CCN(c3ccccc3)C2=O)n1,[*]N1CCN([*])C1=O,0.12931214,False
3647,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc2c1OCO2,[*]N1CCN([*])C1=O,0.746284,False
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3649,CCCN(CCC)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.88174576,True
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3651,CN1CCN(CCN2CCN(c3cccc(O)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.78738534,False
3652,O=C1N(CCN2C3CCC2Cc2ccccc2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.85436976,False
3653,O=C1N(CCN2Cc3ccccc32)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.5570253,False
3654,O=C1N(CN2CCc3ccccc3C2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.52858204,False
3655,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccsn1,[*]N1CCN([*])C1=O,0.56976104,False
3656,O=C1N(Cc2cccc(Cl)c2F)CCN1CN1CCc2ccccc21,[*]N1CCN([*])C1=O,0.3722365,False
3657,O=C1N(c2ccc(F)c(Cl)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.28758502,False
3658,O=CC(=O)NCC=CCN1CCN(c2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59435767,False
3659,O=c1ccccn1CCN(CC1CCC1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5213159,False
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3661,CC(C)N1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C(C)C1,[*]N1CCN([*])C1=O,0.7281862,False
3662,CC1(C)C2CCC1(N1CCN(Cc3cccc4c3OCO4)C1=O)CC2,[*]N1CCN([*])C1=O,0.31911707,False
3663,CCCN(CCCN(C)C)C1COc2c(cccc2-c2ccncc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.698292,False
3664,CCN(C(C)C)C1COc2c(cccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.522084,False
3665,Cc1cc(CN2CCN(CN3Cc4ccccc4C3)C2=O)ccn1,[*]N1CCN([*])C1=O,0.542556,False
3666,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(-c2ccsc2)n1,[*]N1CCN([*])C1=O,0.7420824,False
3667,CC(=O)n1cc(N2CCN(CN3Cc4ccccc4C3)C2=O)c2ccccc21,[*]N1CCN([*])C1=O,0.35677692,False
3668,CC(C)N(CC1CCCC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4744658,False
3669,CC1(C)C2CCC1(CN1CCN(c3ccc(Cl)cc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.39799094,False
3670,CC12CCC(CC1)N(CN1CCN(c3ccccc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.32706907,False
3671,CCN(C(C)C)C1COc2c(cccc2-c2ccc(C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.36325082,False
3672,CNc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(O)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51209867,False
3673,COCCN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.6232699,False
3674,O=C1Nc2ccccc2CN1CCN1CCN(c2cccc(O)c2)C1=O,[*]N1CCN([*])C1=O,0.6126484,False
3675,CC12CCC(N3CCN(C4COc5ccccc54)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.35202292,False
3676,CCCN(C(C)=O)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49761054,False
3677,CCN1CCC(N2CCN(c3cccs3)C2=O)CC1,[*]N1CCN([*])C1=O,0.42343462,False
3678,CN(C)Cc1csc(N2CCN(Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.30380297,False
3679,COC(C)N1CCN(CCN2CCC(c3ccccc3)CC2)C1=O,[*]N1CCN([*])C1=O,0.76845706,False
3680,Cc1cc(N2CCN(CCN3CCN(C)CC3)C2=O)on1,[*]N1CCN([*])C1=O,0.60891193,False
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3682,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.65628767,False
3683,O=C1N(CC2CCCCN2)CCN1C(F)(F)F,[*]N1CCN([*])C1=O,0.43216932,False
3684,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.5694515,False
3685,CC(=O)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6644965,False
3686,CC1(C)C2CCC1N(CCN1CCN(c3ccc4c(c3)OCO4)C1=O)C2,[*]N1CCN([*])C1=O,0.467226,False
3687,CN(C)CCN1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.4902982,False
3688,COc1ccc2ccc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8029965,False
3689,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9461754,False
3690,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cc2cc(O)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76042515,False
3691,O=C1N(CCN2CCC3CCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8516689,False
3692,O=C1N(CCN2CCCc3sccc3C2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.63680035,False
3693,C=Cc1cccc2c1OCC(N(CCC)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6617241,False
3694,CC(=O)Nc1cccc(N2CCN(CC3COCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.110099025,False
3695,CC1(C)C2CCC1(N1CCN(C3CCCN3)C1=O)CC2,[*]N1CCN([*])C1=O,0.27129865,False
3696,CC1(C)C2CCC1(N1CCN(c3ccc(Cl)cc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.2728828,False
3697,CCCN(CC)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.75806475,False
3698,CCCN(CCC)C1COc2c(cccc2-c2cccc([N+](=O)[O-])c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6015622,False
3699,COc1cccc2c1OCC(N(C)CCc1ccc(N(C)C)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5294782,False
3700,Cc1csc(N2CCN(CCN3CCN(C(C)C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.69116855,False
3701,O=C(Cc1cc2ccccc2[nH]1)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7646046,False
3702,CC(=O)NCC=CCN1CCN(c2ccccc2C(C)C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70577425,False
3703,CC(N)c1cccc(N2CCN(CCN3Cc4ccccc4NC3=O)C2=O)c1,[*]N1CCN([*])C1=O,0.7007705,False
3704,CCCN(CC1CC1)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71804357,False
3705,CN(CN1CCN(c2ccccc2Cl)C1=O)CC12CCC1CC2(C)C,[*]N1CCN([*])C1=O,0.4419838,False
3706,COCC1CCC2CN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC12,[*]N1CCN([*])C1=O,0.72091854,False
3707,Cc1cccnc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8406113,False
3708,O=C1N(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCN1Cc1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.81744677,False
3709,O=C1N(CCN2CCc3ccccc32)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.48664108,False
3710,O=C1N(CCOC2CCCC2)CCN1C1COC(c2ccccc2)=N1,[*]N1CCN([*])C1=O,0.38983655,False
3711,O=C1N(CO)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.5814363,False
3712,CC1(C)CC2CC(CN(CCN3CCN(c4ccc5c(c4)OCO5)C3=O)C2)C1,[*]N1CCN([*])C1=O,0.5567895,False
3713,CCN(CCNC(=O)c1ccc2ccccc2c1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.26337454,False
3714,CN(Cc1cccs1)CN1CCN(CCN2CNc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.6039899,False
3715,O=C1N(CCN2CCc3sccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7774551,False
3716,CC(C)N1CCN(CCN2CCN(c3cccc(C#N)c3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.837657,False
3717,CC(C)N1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.21334416,False
3718,CC1(C)C2CCC1(N1CCN(C3CCCN(Cc4ccc(Cl)cc4)C3)C1=O)CC2,[*]N1CCN([*])C1=O,0.3889823,False
3719,CCCN(CCCN(C)C)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6246597,False
3720,CCN(C(C)C)C1COc2c(cccc2S(C)(=O)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.386692,False
3721,O=C(c1ccccc1)c1cccc(N2CCN(C3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.1061935,False
3722,O=C1N(C2CCN(Cc3ccccc3)CC2)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.626522,False
3723,O=C1N(CCN2CC3CCc4ccccc4CC(C3)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5847123,False
3724,CC1(C)C2CCC1(N1CCN(C3COOC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.27940464,False
3725,CC1(C)C2CCC13C(CCN3CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.6070621,False
3726,Cc1ccc(-c2cccc(C(=O)NCC=CCN3CCN(CCOc4ccccc4)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.24475424,False
3727,Cc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73890543,False
3728,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc2c(c1)-c1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76962,False
3729,O=C1N(CCN2C3CCc4ccccc4CC2CC3)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.53239805,False
3730,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc2cccnc12,[*]N1CCN([*])C1=O,0.65604484,False
3731,CCCCN(C(C)C)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.65115285,False
3732,CCN(C(C)C)C1COc2c(cccc2C(=O)C2CCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.24358916,False
3733,CCN(CCC(=O)N1CCC(C)CC1)C1COc2c(cccc2[N+](=O)[O-])C1,[*]CN([*])C1COc2c([*])cccc2C1,0.18266049,False
3734,COCC12CCC(CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1)C2,[*]N1CCN([*])C1=O,0.86714804,False
3735,COc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9392226,False
3736,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Br)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91179246,True
3737,COc1ccccc1N1CCN(CCN2CCOCC2)C1=O,[*]N1CCN([*])C1=O,0.31535143,False
3738,O=C1N(CCN2CCCCCCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.88869786,False
3739,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.6987099,False
3740,O=C1N(Cc2ccc(Cl)cc2Cl)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.6011263,False
3741,O=C1N(Cc2ccc(F)cc2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.34181765,False
3742,CCCN(C)C1COc2c(cccc2-c2cccc(Oc3ccccc3)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5559603,False
3743,CCN(C(C)=O)C1COc2c(cccc2C(=O)OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.25462002,False
3744,CN(C)CCN1CCN(c2cc(Cl)ccc2F)C1=O,[*]N1CCN([*])C1=O,0.39727005,False
3745,COC1C2CCN1CCC(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.4527061,False
3746,N#Cc1cccc(N2CCN(CCN3Cc4ccccc4NC3=O)C2=O)c1,[*]N1CCN([*])C1=O,0.7015172,False
3747,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1cccc2c1-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5859651,False
3748,CCN1CCCC1CNC(=O)c1c(F)ccc(C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.83551955,False
3749,COC(=O)CN(C(C)=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.21400167,False
3750,COC(C)N1CCN(CCOc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.41895851,False
3751,COc1cccc(CN2CCN(CC(C)N3CCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.3075942,False
3752,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1ccc(-c2cnccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86864847,False
3753,O=C1N(CCN2CCC3CCCCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6635996,False
3754,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1ccsc1,[*]N1CCN([*])C1=O,0.7252838,False
3755,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccnc2ccccc12,[*]N1CCN([*])C1=O,0.63656497,False
3756,CN1CCN(CCN2CCN(c3cccc(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8099431,False
3757,CNc1ccc(C(=O)NCC=CCN2CCN(c3ccc(OCCF)cc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3479696,False
3758,COc1cccc(-c2cccc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7899494,False
3759,COc1cccc(OC)c1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83713984,False
3760,COc1ccccc1N1CCN(CCN(C(C)=O)C2COc3c(cccc3OC)C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.7858629,False
3761,Cc1cc(N2CCN(Cc3ccc4c(c3)NC(=O)CC4)C2=O)on1,[*]N1CCN([*])C1=O,0.35580567,False
3762,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc(-c2cccc(F)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84044635,False
3763,O=C1N(CN2CCCCCC2)CCN1c1cccc(Cl)n1,[*]N1CCN([*])C1=O,0.32096136,False
3764,O=C1Nc2ccccc2CN1CCN1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.6082561,False
3765,CC1(C)C2CCC1(N1CCN(Cc3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.308018,False
3766,CC1(C)CN2CCC1(C)CC2CN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.37470672,False
3767,CN(C)c1cccc(C(=O)NCC=CCN2CCN(c3cccc(F)c3F)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68558556,False
3768,COc1cc(Cl)cc(N2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6897122,False
3769,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1ccc(-c2cccs2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89624023,False
3770,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(-c2cccc3c2Cc2ccccc2C3)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7134699,False
3771,O=C1N(CCN2C3CCCC2CC3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5525984,False
3772,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccc(C(F)(F)F)cc1,[*]N1CCN([*])C1=O,0.4542739,False
3773,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.6818371,False
3774,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5773996,False
3775,CC1CCC(CN2CCN(c3cccc(C(F)(F)F)c3)C2=O)N1,[*]N1CCN([*])C1=O,0.571522,False
3776,CCCCN(CCC)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6584186,False
3777,CCN(CCC1CCC(NC(=O)OC(C)(C)C)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.28235656,False
3778,CCOc1cccc(N2CCN(CC=CCNC(=O)c3cc(Br)ccc3C)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.28209665,False
3779,Cc1ccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)nc1,[*]N1CCN([*])C1=O,0.719024,False
3780,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2c(c1)Cc1ccc(O)cc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9118809,False
3781,O=C1N(CC2CCCCN2)CCN1c1cccc2cccnc12,[*]N1CCN([*])C1=O,0.4502413,False
3782,O=C1N(CC2CCCN2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.41370165,False
3783,O=C1N(CCOC2CCCC2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.4523337,False
3784,CCCN(CC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.29267198,False
3785,CCN1CCCC1CNC(=O)c1c([N+](=O)[O-])ccc(S)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.69867396,False
3786,CN(Cc1cccc(Cl)c1)CN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.30061176,False
3787,COC(C)N1CCN(CN2CCN(c3cccc(Cl)c3)C2)C1=O,[*]N1CCN([*])C1=O,0.47650588,False
3788,Cc1ccc(N2CCN(CCN3CCCc4ccccc43)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.3924664,False
3789,O=C(NCC=CCN1CCN(c2cccc(CCF)c2)CC1)c1cccc(-c2cccc(O)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4694642,False
3790,CC1(CN2CCN(c3ccc(F)cc3)C2=O)CCCCN1,[*]N1CCN([*])C1=O,0.30198383,False
3791,CN(CCN1CCN(Cc2ccc(Cl)cc2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.4868911,False
3792,COC(=O)c1cccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.54346687,False
3793,COc1ccc2cc(O)cc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94327253,False
3794,COc1cccc2c1OCC(N(CCC1(O)CC(NC(=O)c3ccc4ccccc4c3)C1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.21408519,False
3795,Cc1ccccc1N1CCN(CCN2CCOCC2)C1=O,[*]N1CCN([*])C1=O,0.24410251,False
3796,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccon1,[*]N1CCN([*])C1=O,0.8137295,False
3797,C=CCN1CCCC1CNC(=O)c1c(CCCO)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.64097774,False
3798,CC(C)c1ccc(N2CCN(CN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.501389,False
3799,CC1CC2(C)CCCN1C(CN1CCN(c3ccccc3Cl)C1=O)CC2,[*]N1CCN([*])C1=O,0.34716985,False
3800,CN(CN1CCN(c2cccc(Cl)c2)C1=O)CC12CCC(CC1)CC2,[*]N1CCN([*])C1=O,0.6367761,False
3801,Cc1ccc(N2CCN(CN3CCN(Cc4ccccc4)CC3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.5367894,False
3802,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.8237047,False
3803,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(Cl)c(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.57620573,False
3804,O=C1N(COCC2CC3CCC2CN3Cc2csc3ccccc23)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4506575,False
3805,CC1CCCN(CCN2CCN(c3cccc(Cl)c3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.7900577,False
3806,CC1CCN(C(=O)CCN(C)C2COc3c(cccc3-c3ccccc3)C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.264694,False
3807,CCCN(CCC(=O)N1CCC(C)CC1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40880954,False
3808,CCCN(Cc1ccccc1)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5663432,False
3809,COC(=O)N1CCN(CCN2CCN(C(C)C)CC2)C1=O,[*]N1CCN([*])C1=O,0.39073205,False
3810,CONC(c1cccc(Cl)c1)N1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.21758226,False
3811,COc1cccc(N2CCN(CCN3CCN(c4cccc(Cl)c4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.86916846,False
3812,Cc1cccc(N2CCN(CCN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.9150842,True
3813,O=C1N(CC2COCO2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5578728,False
3814,O=C1Nc2ccccc2CN1CCN1CCN(c2ccc3ccccc3c2)C1=O,[*]N1CCN([*])C1=O,0.6653538,False
3815,CC12CCC(CC(N3CCN(c4ccc(Cl)cc4)C3=O)C1)C2,[*]N1CCN([*])C1=O,0.25467253,False
3816,CC12CCN(CCN3CCN(c4ccccc4Cl)C3=O)CC(C1)C2(C)C,[*]N1CCN([*])C1=O,0.5839445,False
3817,CCCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7103218,False
3818,COc1cccc(CN2CCN(C(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.3439763,False
3819,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Oc3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92315894,False
3820,O=C(NCC=CCN1CCN(Cl)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30087703,False
3821,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1csc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7114013,False
3822,O=C1N(CC(=O)N2CCc3ccccc32)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.1487441,False
3823,O=C1N(CCN2C3CCCC2CCC3)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.5336549,False
3824,CCCN(CCC(=O)N1CCC(C)CC1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.36061418,False
3825,CCCN(CCCN(C)C)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6580628,False
3826,CN1CCN(Cc2cccc(N3CCN(CN(C)Cc4cccc(Cl)c4)C3=O)c2)CC1,[*]N1CCN([*])C1=O,0.56707036,False
3827,Cn1cc(N2CCN(CC3CCCCN3)C2=O)nc1-c1ccccc1,[*]N1CCN([*])C1=O,0.39525965,False
3828,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc2cc[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8703191,False
3829,CCN(CCC(=O)N1CCC(=O)CC12CCCC2)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.26598367,False
3830,CN1CCc2ccc(CCN3CCN(c4cccc(CN5Cc6ccccc6C5)c4)C3=O)cc21,[*]N1CCN([*])C1=O,0.7139492,False
3831,COc1ccc(N2CCN(CCN3CCc4ccccc4N3)C2=O)cc1,[*]N1CCN([*])C1=O,0.6517858,False
3832,Cc1cccnc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7478096,False
3833,O=C1N(CCN2CCOCC2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.37075037,False
3834,O=C1N(CN2CC3CCC2CC3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.33899888,False
3835,O=C1N(Cc2cccc(Cl)c2)CCN1CN1CCN(c2cccc(OC(F)(F)F)c2)C1,[*]N1CCN([*])C1=O,0.48885363,False
3836,O=C1N(c2cccc(Cl)c2)CCN1C1CCCC(C(F)(F)F)C1,[*]N1CCN([*])C1=O,0.439371,False
3837,C#CCN(CC1CCC1)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51610523,False
3838,CCCN(CC1CCCC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6463929,False
3839,CCN1CCN(Cc2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.25400966,False
3840,COc1ccc(C)c(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.850472,False
3841,Cc1nc2c(N3CCN(CCN4CCc5ccccc5C4)C3=O)cccc2s1,[*]N1CCN([*])C1=O,0.6236082,False
3842,N#Cc1cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)ccc1Cl,[*]N1CCN([*])C1=O,0.9160598,False
3843,Nc1ccc(C(=O)NCC=CCN2CCN(c3cccc(C(F)(F)F)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8438365,False
3844,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cc2ccccc2cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7311296,False
3845,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1c[nH]c2ccc(OCCF)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7385964,False
3846,CC1(C)C2CCC3(CC2)CCN(CCN2CCN(c4ccccc4Cl)C2=O)C31,[*]N1CCN([*])C1=O,0.47109076,False
3847,CCCN(CCC)C1COc2c(cccc2-c2cccc3ccccc23)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6918868,False
3848,Cc1cncc(N2CCN(C3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.18727346,False
3849,O=C1N(CC2CCCCCN2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.50747406,False
3850,O=C1N(CC2COCCN2)CCN1c1ccc(-c2ccccn2)cc1,[*]N1CCN([*])C1=O,0.27436516,False
3851,O=C1N(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.59597534,False
3852,O=C1N(Cc2cccc(Cl)c2)CCN1CN1CCCC(Oc2ccccc2)C1,[*]N1CCN([*])C1=O,0.53079915,False
3853,CC1(C)C2CCC1(N1CCN(CCN3CCN(c4ccc(Cl)cc4)C3=O)C1=O)CC2,[*]N1CCN([*])C1=O,0.48935387,False
3854,CC12CCC(N3CCN(CCN4CCc5ccccc5C4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.65704095,False
3855,COC(C)N1CCN(CCN2CCCCC2)C1=O,[*]N1CCN([*])C1=O,0.4626087,False
3856,Cc1ccc(N2CCN(CCN3Cc4ccccc4NC3=O)C2=O)cc1C,[*]N1CCN([*])C1=O,0.58423984,False
3857,Cc1ccccc1CN1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.66310513,False
3858,N#Cc1cc(N2CCN(CCN3CCN(c4cccc(Cl)c4)CC3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.85223943,False
3859,O=C1N(CC23CCC(CC2)CC3)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.47126126,False
3860,O=C1N(CCN2CCCCc3sccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7243705,False
3861,O=C1N(CN2CC3CCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.61877537,False
3862,CC(C)Oc1ccc(N2CCN(CCN3Cc4ccccc4NC3=O)C2=O)cc1,[*]N1CCN([*])C1=O,0.6448456,False
3863,CC1(C)C2CCC1(N1CCN(CCN3CCN(C(=O)c4ccc(Cl)cc4)CC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.30749533,False
3864,CC12CCC(N3CCN(CCc4cccc(Cl)c4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.42230833,False
3865,CC1CCN(C(=O)CCN(c2cccc([N+](=O)[O-])c2)C2COc3c(F)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.21058671,False
3866,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(-c2cc[nH]c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7892727,False
3867,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc2cc[nH]c2c1,[*]N1CCN([*])C1=O,0.7275679,False
3868,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(Cl)cc2sccc12,[*]N1CCN([*])C1=O,0.7956685,False
3869,CC1(C)C2CCC1(N1CCN(CCc3ccccc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.40528142,False
3870,CN(CC1CCC1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5435425,False
3871,Cc1cc(CN2CCN(c3cccc(Cl)c3Cl)C2=O)on1,[*]N1CCN([*])C1=O,0.13757159,False
3872,Nc1cccc(CC(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78196466,False
3873,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cc2cccnc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7435602,False
3874,O=C1N(CC2CCC3Cc4ccccc4N3C2)CCN1c1cccc(Cl)n1,[*]N1CCN([*])C1=O,0.41946664,False
3875,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.74163246,False
3876,O=C1N(CN2CCN(Cc3cccc4ccsc34)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.53889054,False
3877,O=C1N(Cc2ccccc2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.2824187,False
3878,O=C1N(c2cccc(Cl)n2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.29794648,False
3879,CC1CC2CCC3N(CCN4CCN(c5ccccc5Cl)C4=O)CCC13C2,[*]N1CCN([*])C1=O,0.3881209,False
3880,CN(C)c1cccc(C(=O)NCC=CCN2CCN(c3cccc4ccccc34)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7044823,False
3881,CN(Cc1cc2ccccc2s1)CN1CCN(CN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.4364197,False
3882,COc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3CCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39742532,False
3883,COc1cccc2c1OCC(N(CCCN1CCN(c3cccc(Cl)c3)C1=O)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5606902,False
3884,Cc1cccc(N2CCN(C3CCC[S+]([O-])C3)C2=O)c1,[*]N1CCN([*])C1=O,0.22581804,False
3885,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c[nH]c(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83490723,False
3886,O=C1N(Cc2cccc(Cl)c2)CCN1CC1COCCN1,[*]N1CCN([*])C1=O,0.27463815,False
3887,CC(=O)c1cccc2c1OCC(N(CCN(C)C)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3504439,False
3888,CC(CN1CCN(CN(C)Cc2ccccc2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.33417052,False
3889,CCCN(CC1CC1)C1COc2c(cccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.75518733,False
3890,Cc1ccc(N2CCN(CC3CCN(Cc4ccccc4)C3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.70924705,False
3891,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(C(=O)c2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8171975,False
3892,O=C1N(CC2NCCc3ccsc32)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.3865561,False
3893,O=C1N(CCN2CC3CCC(Cc4ccccc4C3)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.582785,False
3894,O=C1N(CCN2CCCCC2O)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.40583685,False
3895,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.78863853,False
3896,CCCCN(CCC)C1COc2c(cccc2-c2cocn2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.63658595,False
3897,CN(C)Cc1ccc(CN2CCN(c3ccccc3Cl)C2=O)s1,[*]N1CCN([*])C1=O,0.21652995,False
3898,CN1C2CN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC1(C)CC(C)(C)C2,[*]N1CCN([*])C1=O,0.7638352,False
3899,CN1CC2C(C)(C)CC1CC2(O)CN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.52284145,False
3900,Cc1cc(N2CCN(CC(C)N3CCc4ccccc43)C2=O)on1,[*]N1CCN([*])C1=O,0.24753155,False
3901,Nc1ccc(C(=O)NCC=CCN2CCN(CCOc3ccccc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3389166,False
3902,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(F)c(F)c1Cl,[*]N1CCN([*])C1=O,0.8735174,False
3903,O=C1Nc2ccccc2CN1CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.65600115,False
3904,CC12CCC(CN(CCN3CCN(c4ccc(Cl)cc4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.6588885,False
3905,CCN(CC1CCC(NC(=O)C2CCCC2)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.1820912,False
3906,CCc1ccc(-c2ccccc2)c(C(=O)NCC2CCCN2CCc2ccccc2)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.47591102,False
3907,COC(C)N1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.3478333,False
3908,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9738877,False
3909,O=C1CCc2ccccc2N1CCN1CCN(c2cccc3ncsc23)C1=O,[*]N1CCN([*])C1=O,0.36801058,False
3910,O=C1N(CC2CCCCN2)CCN1c1ccc(Cl)cc1F,[*]N1CCN([*])C1=O,0.3179555,False
3911,O=C1N(CC2CCCNC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.4479788,False
3912,CC12CCC(CN(CCN3CCN(c4ccccc4F)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.6139613,False
3913,CCN(CCCN1CCOC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6267773,False
3914,COCC1C2CCCC1CN(CN1CCN(c3ccccc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.4268611,False
3915,Cc1cc(CN2CCN(C3CCN(Cc4ccccc4)CC3)C2=O)on1,[*]N1CCN([*])C1=O,0.48285985,False
3916,O=C1N(CCN2CC3CCC2CC3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.49092576,False
3917,O=C1N(CCN2CCCCCCC2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.71993893,False
3918,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc(-c2cccs2)cc1,[*]N1CCN([*])C1=O,0.7020828,False
3919,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.5590932,False
3920,O=C1N(CN2CCN(Cc3ccccc3)CC2)CCN1c1ccc(C(F)(F)F)s1,[*]N1CCN([*])C1=O,0.5042291,False
3921,CC(CN1CCN(Cc2cccc(Cl)c2F)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.37384963,False
3922,CC1(C)C2CCC1(N1CCN(CCN3CCN(Cc4ccc(F)cc4)CC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.6527446,False
3923,CC1(C)C2CCC1(N1CCN(CCN3CCN(c4ccc(Cl)cc4)C3)C1=O)CC2,[*]N1CCN([*])C1=O,0.5748703,False
3924,CCN1CCCC1CNC(=O)c1c(Cl)ccc(S)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.81476545,False
3925,O=C(CNCc1ccccc1)NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.368882,False
3926,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc(-c2ccco2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73258966,False
3927,O=C1N(CCN2CC3CCC(C3)C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.6413344,False
3928,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2cc3ccccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86064595,False
3929,CCc1ccc(-c2ccccc2)c(C(=O)NCC2CCCN2Cc2ccccc2)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.445593,False
3930,COc1cccc(N2CCN(CN3CCCC(Oc4ccccc4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.55893224,False
3931,Cc1cccc2c1OCC(N(CC=Cc1ccccc1)CCC(=O)N1CCC(C)CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.14846024,False
3932,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1cccc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5548411,False
3933,O=C(NCCN1CCN(c2ccc(Oc3ccccc3)cc2)CC1)c1cc(Br)c2ccccc2c1Cl,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.7671082,False
3934,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccccc1CO,[*]N1CCN([*])C1=O,0.67511934,False
3935,CN1CCCCCC1N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.31845433,False
3936,COc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9373315,False
3937,COc1ccccc1N1CCN(CCN2CC3CCC(C2)C3(C)C)C1=O,[*]N1CCN([*])C1=O,0.5793586,False
3938,Cc1cccc(N2CCN(CC=CCNC(=O)c3nccc4ccccc34)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78469723,False
3939,O=C1N(CC2N3CCCC4CCC42CC3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.42543277,False
3940,O=C1N(CCN2C3CCCC2CC3)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.5807664,False
3941,O=C1N(CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCN1c1ccc(C(F)(F)F)s1,[*]N1CCN([*])C1=O,0.8136429,False
3942,O=C1N(CCN2Cc3ccc(F)cc3C2)CCN1c1cccc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.7188077,False
3943,O=C1N(CCOC2CCNCC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.4273499,False
3944,O=C1N(CN2CCCC(C(F)(F)F)C2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.4206282,False
3945,O=C1N(Cc2cccc(Cl)c2)CCN1Cc1ccccn1,[*]N1CCN([*])C1=O,0.29905432,False
3946,CC(=O)CN(C)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.33226916,False
3947,CCCN(C(C)CC)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53209245,False
3948,CCCN(CC)C1COc2c(cccc2S(C)(=O)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6353685,False
3949,CCCN1C23CCCC12N(CCN1CCN(c2cccc(Cl)c2)C1=O)CC3,[*]N1CCN([*])C1=O,0.59851265,False
3950,CCN1CCCC1CNC(=O)c1c(Cl)ccc(Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8838997,False
3951,COc1c(OCCF)cccc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8263217,False
3952,COc1cccc(N2CCN(CC(C)N3CCN(C(C)C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.32198286,False
3953,Cc1cc(N2CCN(C3CCc4ccccc4C3)C2=O)on1,[*]N1CCN([*])C1=O,0.30695936,False
3954,CC(C)N(CC1CCCN1C(=O)c1ccc2ccccc2c1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.26445788,False
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3956,CCN(CC)C1COc2c(cccc2S(C)(=O)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.50277895,False
3957,COc1cccc2c1OCC(N(CCN1CCCCC1)CC1CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6127856,False
3958,O=C1N(CC2CCCCN2)CCN1c1cccc(CN2CCCCC2)c1,[*]N1CCN([*])C1=O,0.41508916,False
3959,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccsc1-c1ccncc1,[*]N1CCN([*])C1=O,0.5407277,False
3960,CC12CCC(N3CCN(C(=O)N4CCN(c5ccc(Cl)cc5)CC4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.11226531,False
3961,CCN(C)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.567796,False
3962,Cc1csc(N2CCN(CC3Cc4ccccc4CN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.46017054,False
3963,Cn1cc(N2CCN(CCN3CCCCCC3)C2=O)nc1-c1ccccc1,[*]N1CCN([*])C1=O,0.60012066,False
3964,Nc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96171266,False
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3966,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ncccc1-c1cccs1,[*]N1CCN([*])C1=O,0.7693342,False
3967,CC(C)(C)Nc1cccc(N2CCN(CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.47485715,False
3968,CC1CCN(C(=O)CCN(C(C)C)C2COc3c(Cl)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.26113313,False
3969,CN1Cc2ccccc2C1N1CCN(c2cccc3ncsc23)C1=O,[*]N1CCN([*])C1=O,0.44405106,False
3970,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7155943,False
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3973,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccc(F)c(F)c1,[*]N1CCN([*])C1=O,0.613161,False
3974,O=C1N(CCN2Cc3ccccc3C2)CCN1c1nc2ccccc2s1,[*]N1CCN([*])C1=O,0.85308236,False
3975,O=C1N(Cc2cccc(CN3CCCCCC3)c2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.39745024,False
3976,O=C1N(Cc2ccccc2)CCN1Cc1cccc(F)c1,[*]N1CCN([*])C1=O,0.35535082,False
3977,CC(C)N1CCN(CCN2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.620762,False
3978,CC12CCC(C)(CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1)C2,[*]N1CCN([*])C1=O,0.88167,False
3979,CN(C)c1cccc(C(=O)NCC=CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40917024,False
3980,CN(Cc1cc2ccccc2s1)CN1CCN(Cc2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.36191988,False
3981,CN1CCN(CN2CCN(c3cccc(Cl)n3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5540594,False
3982,Nc1cc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.72881496,False
3983,O=C1Nc2ccccc2CN1CCN1CCN(c2cc(Cl)ccn2)C1=O,[*]N1CCN([*])C1=O,0.47256935,False
3984,O=C1Nc2ccccc2CN1CCN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6843385,False
3985,CC(C)N1CCN(CCN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.84825593,False
3986,CC1(C)C2CCC1(N1CCN(C3CC[N+]3[O-])C1=O)CC2,[*]N1CCN([*])C1=O,0.20988792,False
3987,CC1(C)C2CCC1(N1CCN(CCN3CCN(c4cccc(Cl)c4)C(=O)C3)C1=O)CC2,[*]N1CCN([*])C1=O,0.6395418,False
3988,CC1CCC(CN2CCN(c3cccc(Cl)c3)C2=O)NC1,[*]N1CCN([*])C1=O,0.6197322,False
3989,CCCCN(CCC)C1COc2c(cccc2-c2ccc(C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6050034,False
3990,COC(C)N1CCN(c2ccccc2OC(F)(F)F)C1=O,[*]N1CCN([*])C1=O,0.22261499,False
3991,N#Cc1cc(N2CCN(CCN3CCOCC3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.4147197,False
3992,O=C1N(CCN2CCCCC2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.77011096,False
3993,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.6270961,False
3994,CC1(C)C2CCC1(N1CCN(C3CCN(Cc4ccc(Cl)cc4)CC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.6828149,False
3995,CCCCN(CC1CCC1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5727467,False
3996,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97573465,False
3997,COc1ccccc1N1CCN(CCN2CCC(C(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.76287717,False
3998,Cc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccn3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.35346228,False
3999,O=C1N(CCN2CCCc3ccccc32)CCN1Cc1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.3711449,False
4000,CC(C)N1CCN(CN2CCN(c3ccc(F)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.37377885,False
4001,CC1(C)C2CCC1(N1CCN(C3COCO3)C1=O)CC2,[*]N1CCN([*])C1=O,0.28999716,False
4002,CC12CCC(N3CCN(Cc4cccc5c4NC(=O)CO5)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.24375813,False
4003,CC1CCN(C(=O)CCN(C)C2COc3c(Cl)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.29777467,False
4004,CCC1(C)CC2CC(C)(CN2CCN2CCN(c3ccccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.4353298,False
4005,COc1c(F)cccc1N1CCN(CC=CCNC(=O)Cc2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.58702135,False
4006,Cc1csc(N2CCN(c3ccccc3CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.46609685,False
4007,O=C1N(CCN2Cc3ccccc3C2)CCN1c1csc(-c2ccccc2)c1,[*]N1CCN([*])C1=O,0.81014836,False
4008,O=C1N(c2ccc(F)cc2)CCN1C1CCCCCN1,[*]N1CCN([*])C1=O,0.23045115,False
4009,CC(=O)c1cccc(N2CCN(C3CCCNC3)C2=O)c1,[*]N1CCN([*])C1=O,0.110858366,False
4010,CN(Cc1ccccc1)CN1CCN(c2ccc3ccccc3n2)C1=O,[*]N1CCN([*])C1=O,0.27539098,False
4011,Cc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3C)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.658535,False
4012,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccc(O)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8166908,False
4013,O=C1N(CC23CNCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.60330695,False
4014,O=C1N(CCN2CCc3ccccc3N2)CCN1Cc1ccco1,[*]N1CCN([*])C1=O,0.4604605,False
4015,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cnc(-c2ccccc2)s1,[*]N1CCN([*])C1=O,0.68126255,False
4016,O=C1N(CN2CCCCCC2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.43395838,False
4017,CC1(C)CN(CCN2CCN(c3ccccc3)C2=O)C2CCC21,[*]N1CCN([*])C1=O,0.5932124,False
4018,CCN(C(C)C)C1COc2c(cccc2-c2ccc(C#N)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47667614,False
4019,CN(C)Cc1csc(N2CCN(C3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.33643225,False
4020,COCC1CC2CCC1N2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.79231864,False
4021,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(C)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8118951,False
4022,O=C(CCOc1ccccc1)NCC=CCN1CCN(c2ccccc2OCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6170326,False
4023,O=C1N(CCN2CCN(c3ccccc3)C2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.58559626,False
4024,O=C1N(CN2Cc3ccccc3C2)CCN1c1cscc1-c1cccnc1,[*]N1CCN([*])C1=O,0.48334628,False
4025,O=C1N(c2cccc(C(F)(F)F)c2)CCN1C1CCN(Cc2ccccc2)CC1,[*]N1CCN([*])C1=O,0.7598877,False
4026,CCCN(CCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.27711752,False
4027,CCN(CC(=O)N1c2ccccc2CC1C)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.263425,False
4028,COC(c1cccc(Cl)c1)N1CCN(CN(C)Cc2cc3ccccc3s2)C1=O,[*]N1CCN([*])C1=O,0.25174308,False
4029,Cc1cccc2c1OCC(N(C)CCC(=O)N1CCC(C)CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.23551741,False
4030,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2c1Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94940543,False
4031,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.8275153,False
4032,O=C1N(CCN2CCc3ccccc32)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.5095878,False
4033,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1csc2ccccc12,[*]N1CCN([*])C1=O,0.6846861,False
4034,CC1CCN(C(=O)CN2CCN(c3cccc([N+](=O)[O-])c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.15560426,False
4035,COCCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.47632873,False
4036,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(N(C)CCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8724952,False
4037,Cn1cnc2cc(N3CCN(CCN4CCCCCC4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.76730895,False
4038,O=C1N(CC(F)(F)F)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.31215858,False
4039,O=C1N(CC2CCCCN2)CCN1c1ccc(Cl)cn1,[*]N1CCN([*])C1=O,0.41719148,False
4040,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc2ncsc12,[*]N1CCN([*])C1=O,0.5729917,False
4041,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccnc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.70999664,False
4042,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cc(F)ccc1Cl,[*]N1CCN([*])C1=O,0.5309042,False
4043,CC12CCC(N3CCN(CC4OCCc5ccccc54)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.4221502,False
4044,CCN(C(C)C)C1COc2c(Cc3ccc(OC)cc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43893015,False
4045,CN(Cc1cccs1)CN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.42561343,False
4046,CN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.3236357,False
4047,COc1ccccc1N1CCN(CC2CCCN(C)C2)C1=O,[*]N1CCN([*])C1=O,0.40015036,False
4048,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c[nH]c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8874522,False
4049,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(OC(F)(F)F)c1F,[*]N1CCN([*])C1=O,0.8803675,False
4050,O=C1N(CCN2CCCCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.7926813,False
4051,O=C1N(CCN2CCCCCC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.8738945,True
4052,O=C1N(Cc2ccccc2Cl)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.59101534,False
4053,CC12CCC(N3CCN(CN4CCN(Cc5cccc(Cl)c5)C4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.44422203,False
4054,CCCN(CCCN(C)C)C1COc2c(Cl)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.65198296,False
4055,CN(Cc1cc2ccccc2s1)CN1CCN(c2cccc(CN3CCCC3)c2)C1=O,[*]N1CCN([*])C1=O,0.4351074,False
4056,CN(Cc1cccc(Cl)c1)CN1CCN(CN2CCN(Cc3ccccc3)CC2)C1=O,[*]N1CCN([*])C1=O,0.53747106,False
4057,CN1CCCCC1CN1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.4623067,False
4058,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1cc2ccccc2cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7893674,False
4059,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccc(F)cc1Cl,[*]N1CCN([*])C1=O,0.8050862,False
4060,O=C1N(CN2Cc3ccccc3C2)CCN1c1cc2ccccc2o1,[*]N1CCN([*])C1=O,0.5386903,False
4061,CCCN(C(C)C)C1COc2c(cccc2-c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6723445,False
4062,CCCN(CC1CCCC1)C1COc2c(cccc2C2CCOC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6190531,False
4063,CCCN(CCC)C1COc2c(cccc2-c2ccc(C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.67187613,False
4064,Cc1csc(N2CCN(CC(=O)N3Cc4ccccc4C3)C2=O)n1,[*]N1CCN([*])C1=O,0.090759285,False
4065,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89667046,False
4066,O=C1N(C2CCCNC2)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.25003994,False
4067,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(Oc2ccccc2)c1,[*]N1CCN([*])C1=O,0.8551284,False
4068,CC1(C)C2CCC1(N1CCN(C3CCNOC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.25694308,False
4069,CCCN(C(C)C)C1COc2c(cccc2OC(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43031606,False
4070,CN(CCN1CCN(c2ccccc2Cl)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.48471797,False
4071,CN1CCCCC1N1CCN(c2cc(F)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.29601946,False
4072,O=C(CNCc1ccccc1)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6018831,False
4073,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.79424465,False
4074,CCCN(CCCN(C)C)C1COc2c(cccc2Oc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.64131576,False
4075,CCCN(CCN1CCC2(CCCC2)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5480165,False
4076,CN(CC1CCC1)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5959792,False
4077,COc1c(C(=O)NCC=CCN2CCN(c3ccccc3C)CC2)ccc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.57722425,False
4078,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(C)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79889923,False
4079,CSc1ccccc1N1CCN(CCOC2CCCC2)C1=O,[*]N1CCN([*])C1=O,0.44065455,False
4080,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1ccco1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7994122,False
4081,O=C1N(CCN2CCCCc3ccoc3C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5050135,False
4082,O=C1N(CCN2CCCc3ccccc32)CCN1Cc1csc2ccccc12,[*]N1CCN([*])C1=O,0.43488002,False
4083,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CCCN(Cc2ccccc2)C1,[*]N1CCN([*])C1=O,0.49828142,False
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4088,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccc(-c4ccncc4)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82506144,False
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4092,CC1(C)C2CCC23CCN(CCN2CCN(c4cccc(Cl)c4)C2=O)C13C,[*]N1CCN([*])C1=O,0.74510056,False
4093,CN1CCN(CCN2CCN(C#N)C2=O)CC1,[*]N1CCN([*])C1=O,0.4805078,False
4094,COCC1CC2CCC1N2CN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.3568708,False
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4099,CCN(CC)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5765568,False
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4104,COc1ccccc1N1CCN(CCN2CCN(C(C)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.6788285,False
4105,O=C1N(CC2CCN(Cc3ccccc3)CC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.7607847,False
4106,O=C1N(CCN2CCc3ccccc3N2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5769316,False
4107,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccnc1,[*]N1CCN([*])C1=O,0.83745104,False
4108,CC1CCCCCN1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5227388,False
4109,COc1cc(F)ccc1N1CCN(CC2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.34185997,False
4110,COc1cccc2c1OCC(N(CCCN1C(=O)CC3(CCCC3)CC1=O)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.42965075,False
4111,Cc1sc(N2CCN(CCN3Cc4ccccc4C3)C2=O)nc1-c1ccco1,[*]N1CCN([*])C1=O,0.688912,False
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4115,O=C1N(Cc2ccc(OC(F)(F)F)cc2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.59868026,False
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4117,CCN(C(C)=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.29165065,False
4118,CCN(CC1CCC(C(=O)N2CCCCC2)CC1)C1COc2c(N)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.21846694,False
4119,CCN1CCN(CCN2CCN(c3cccc(Cl)c3)CC2)C1=O,[*]N1CCN([*])C1=O,0.80969584,False
4120,CN1CCC(N2CCN(c3cccc(CN4Cc5ccccc5C4)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.66787535,False
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4124,O=C1N(Cc2ccc3ccccc3c2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.5850129,False
4125,CCCN(CCCN(C)C)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7248767,False
4126,CCN1CCCCC1CN1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.44551226,False
4127,CN(Cc1ccccc1)CN1CCN(c2ccc3c(c2)OCCO3)C1=O,[*]N1CCN([*])C1=O,0.35684782,False
4128,COc1cccc(N2CCN(CCN3CCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.5578232,False
4129,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccncc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9632018,False
4130,Cc1cc(Cl)ccc1N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5244316,False
4131,O=C1N(CC2CCc3ccccc3C2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.57628334,False
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4133,CC1(C)C2CCC1(N1CCN(Cl)C1=O)CC2,[*]N1CCN([*])C1=O,0.25176516,False
4134,CCCN(CCC(=O)N1CCC(C)CC1)C1COc2c(cccc2[N+](=O)[O-])C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2888802,False
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4163,CNC1(N2CCN(c3cccc(Cl)c3Cl)C2=O)CCCC(C(F)(F)F)C1,[*]N1CCN([*])C1=O,0.24136011,False
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4176,CCOc1ccc(Cl)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.67453474,False
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4179,COc1ccc(N2CCN(CCN3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.7935729,False
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4184,CC1(C)CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.89820814,False
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4209,CN(CN1CCN(c2ccc3c(c2)OCO3)C1=O)CC12CCCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.53353786,False
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4211,COc1c(C(=O)NCCN2CCN(c3ccsc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.87050694,False
4212,COc1cccc2c1OCC(N(CCN1CCN(c3ccc(Cl)cc3)C1=O)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4590952,False
4213,CC(C)OC1CCCN1CCN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.59476984,False
4214,CCCN(CCC)C1COc2c(cccc2OS(=O)(=O)C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.78280133,False
4215,CCN(CC)C1COc2c(cccc2-c2ccc(C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4380805,False
4216,CCN1CCCC1CNC(=O)c1c(Br)ccc(SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8526429,False
4217,CN(C)Cc1csc(N2CCN(c3ccc(Cl)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.25945327,False
4218,CN1CCN(C(=O)c2cccc(N3CCN(C4CCCCN4)C3=O)c2)CC1,[*]N1CCN([*])C1=O,0.09852851,False
4219,COC(C)N1CCN(CC(C)N2CCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.29089078,False
4220,O=C1N(c2ccncc2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.25015727,False
4221,CC1c2ccccc2CN1CN1CCN(Cc2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.5106583,False
4222,CCCN(CC)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7420307,False
4223,CCCN(CC)C1COc2c(cccc2C(=O)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5027201,False
4224,CCN(C)C1CCN(CCN2CCN(c3cccc(Cl)c3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.80455124,False
4225,CCN(CCN1CCN(c2cccc(Cl)c2)C1=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7674508,False
4226,CN(C)Cc1cccc(N2CCN(CC3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.423505,False
4227,CN(CCN1CCN(c2ccc(Cl)cc2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.5993485,False
4228,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93353736,False
4229,O=C1N(CCN2CCN(CC(F)(F)F)CC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.7446053,False
4230,CC1CCc2sccc2CN1CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.43212807,False
4231,CCCCN(CCC)C1COc2c(cccc2C(=O)c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54422164,False
4232,Cc1cc(CN(C)CN2CCN(c3cccc(Cl)c3)C2=O)on1,[*]N1CCN([*])C1=O,0.44893023,False
4233,Cc1csc(N2CCN(CN3CCN(Cc4ccccc4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.55626196,False
4234,Cc1csc(N2CCN(CN3CCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.3344966,False
4235,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(-c2cccc(O)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7455347,False
4236,O=C1N(CCN2CCCCCC2)CCN1c1ccc(F)c(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.849582,False
4237,CC(C)N1CCN(CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.548341,False
4238,CC1(C)CC2CC(N(CCN3CCN(c4ccccc4Cl)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.418075,False
4239,COC(=O)N1CCc2c1cccc2N1CCN(C2CCC[S+]([O-])C2)C1=O,[*]N1CCN([*])C1=O,0.0984837,False
4240,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85756093,False
4241,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc2c(c1)OCO2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7201347,False
4242,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(Cl)c(F)c1Cl,[*]N1CCN([*])C1=O,0.9134163,False
4243,CCN(CC1CCCC1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5151363,False
4244,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)C=O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6401584,False
4245,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(O)ccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9025754,False
4246,Cc1ccc(N2CCN(CCN3CCCCC3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.7506798,False
4247,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1cccc(Cl)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8872954,False
4248,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cc(O)ccc1F,[*]N1CCN([*])C1=O,0.7641296,False
4249,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.6125145,False
4250,O=C1N(CN2CCN(Cc3cccc(Cl)c3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.57275623,False
4251,O=C1N(CN2CCNC(C(F)(F)F)C2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.5293039,False
4252,CC1(C)CC2CCC1C(C)(C)N2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.82397264,False
4253,CCN(C)C1COc2c(cccc2-c2ccc(OC(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.50438994,False
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4255,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc2c1Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83449996,False
4256,O=C1N(CCN2CC3CCCC2C3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.56773394,False
4257,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccccc1-c1cccs1,[*]N1CCN([*])C1=O,0.6365659,False
4258,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(Cl)c2sccc2c1,[*]N1CCN([*])C1=O,0.80751836,False
4259,O=C1N(Cc2cc(Cl)ccc2F)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.56693923,False
4260,CC(=O)n1ccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.5621017,False
4261,CCN(C)C1COc2c(cccc2C(=O)c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.33986077,False
4262,CN1CCCCC1(C)CN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.5420514,False
4263,Cc1cccc(N2CCN(CCN3CC4(C)CC3CC(C)(C)C4)C2=O)c1,[*]N1CCN([*])C1=O,0.61473465,False
4264,O=C1N(CCN2CCC(C(F)(F)Cl)CC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.90978146,False
4265,O=C1N(CCN2CCCCC2CF)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.4170604,False
4266,O=C1N(c2ccc(C(F)(F)F)s2)CCN1C1CCN(Cc2ccccc2)CC1,[*]N1CCN([*])C1=O,0.672184,False
4267,CC(=O)N1CCN(C(C)CN2CCN(c3cccc(Cl)c3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.11467573,False
4268,CC1(C)C2CC(N(CCN3CCN(c4cccc(Cl)c4)C3=O)C2)C1(C)C,[*]N1CCN([*])C1=O,0.7587695,False
4269,CCN(C)C1COc2c(cccc2-c2ccc(Br)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5574843,False
4270,CCc1ccc(O)c(C(=O)NCC2CCCN2CC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6926556,False
4271,Cc1ccccc1N1CCN(CC=CCNC(=O)C=O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5904949,False
4272,Cc1csc(N2CCN(CCN3Cc4ccccc4C3C)C2=O)c1,[*]N1CCN([*])C1=O,0.6044469,False
4273,O=C1N(CC2CCC3CCCN32)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.3436894,False
4274,O=C1N(CC2CCCCC2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.33359516,False
4275,CC(C)n1ccc2cccc(N3CCN(CCN4Cc5ccccc5NC4=O)C3=O)c21,[*]N1CCN([*])C1=O,0.5617701,False
4276,CCCN(CCCN1CCCC(C(=O)OC)C1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51874405,False
4277,CCN(CCCN1C(=O)CCC2(CCCC2)C1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5044821,False
4278,CCN1CCCC1CNC(=O)c1c(C)ccc(S)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.81117845,False
4279,N#Cc1cc(F)ccc1N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5509494,False
4280,O=C1N(CCN2CCC3CCC2CC3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.6415276,False
4281,O=C1N(CCN2CCCCc3ccoc3C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.6057142,False
4282,CC12Cc3cccc(O)c3CC(CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1)C2,[*]N1CCN([*])C1=O,0.6805753,False
4283,CCCN(CCCN(C)C)C1COc2c(cccc2-c2cccc(OC)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6789759,False
4284,CCCN(Cc1ccccc1)C1COc2c(cccc2-c2cc[nH]c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.70087725,False
4285,CN(Cc1ccccc1)CN1CCN(CN2CCCC3(CCc4ccccc4O3)C2)C1=O,[*]N1CCN([*])C1=O,0.27794018,False
4286,COc1c(C)cccc1N1CCN(CC=CCNC(=O)c2cc3ccccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.607001,False
4287,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3c2-c2ccccc2C3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8712533,False
4288,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.827065,False
4289,O=C1N(Cc2cc(Cl)cc(Cl)c2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.59084165,False
4290,CC12CCCC(N(CCN3CCN(c4ccccc4Cl)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.42383662,False
4291,CCCCN(CCC)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6399125,False
4292,CCCN(C(C)C)C1COc2c(cccc2Oc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.69019115,False
4293,CCN(C(C)C)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4516528,False
4294,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7606145,False
4295,Cc1cc2sccc2cc1N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.3979931,False
4296,N#Cc1c(F)cccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.76079035,False
4297,N#Cc1cc(N2CCN(CCN3Cc4ccccc4NC3=O)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.6775691,False
4298,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80965894,False
4299,CC1(C)C2CCC1(N1CCN(CCN3CCN(c4cccc(Cl)c4)C3)C1=O)CC2,[*]N1CCN([*])C1=O,0.63671327,False
4300,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4OCCF)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.58311915,False
4301,N#Cc1cc(N2CCN(CCN3CCc4ccccc4N3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.68676686,False
4302,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(-c2nccs2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7678747,False
4303,O=C1N(CC2CCNCC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.4270907,False
4304,CC(=O)N1CCN(CCN(C(C)C)C2COc3c(F)cccc3C2)C(=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.28064385,False
4305,COc1cccc(CN2CCN(CCN3CCN(c4ccccc4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8086833,False
4306,Cc1ccc(CN2CCN(CCN3CCc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.61988074,False
4307,Cc1cccc(N2CCN(CCN3C4CCCC3CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.5688811,False
4308,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc(-c2ccnc(O)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7838863,False
4309,O=C1N(CCN2CC3CCC2CC3)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.44575846,False
4310,O=C1N(CN2CCCCCC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.38495642,False
4311,O=C1N(Cc2ccccc2F)CCN1CC1CCCCN1,[*]N1CCN([*])C1=O,0.39735302,False
4312,O=C1N(c2ccccn2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.25161338,False
4313,CC(C)N1CCN(c2cc(CN(C)C)cs2)C1=O,[*]N1CCN([*])C1=O,0.2647741,False
4314,CCN(CC1CCC1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.553777,False
4315,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(-c3cccc(O)c3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78299016,False
4316,CN(C)CCN1CCN(Cc2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.37204197,False
4317,O=C1N(CCN2CC3CCC(CC3)C2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.7903425,False
4318,O=C1N(CCN2CCC(c3ccccc3)CC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.8113026,False
4319,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.7359599,False
4320,CC1(CN2CCN(c3ccccc3)C2=O)CCCNC1,[*]N1CCN([*])C1=O,0.37294948,False
4321,CC12CCCC(CC1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.7650642,False
4322,CCCCN(CC(C)C)C1COc2c(cccc2C(=O)OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3264757,False
4323,COc1cccc(N2CCN(C3CCCN(C(C)C)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.22814351,False
4324,COc1cccc(N2CCN(CCN3C4CCCC3CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.59778863,False
4325,Cc1cc(Cl)ccc1N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.6928628,False
4326,Cc1ccc(N2CCN(CCN3CCN(C(C)C)CC3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.7748248,False
4327,Cc1csc(N2CCN(CN3CCN(Cc4ccc(F)cc4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.48113862,False
4328,O=C(CCF)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6897361,False
4329,CCCN(CC1CCCC1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6081205,False
4330,CCCN(CC1CCCC1)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5705628,False
4331,CCN(C)c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9241839,False
4332,NC1CC2N(CCN3CCN(c4ccccc4Cl)C3=O)C3CCC2(C1)C3,[*]N1CCN([*])C1=O,0.43643147,False
4333,O=C1N(CC(=O)N2CCc3c(F)cccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.23700239,False
4334,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.63836163,False
4335,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2cccc3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84689355,False
4336,CN(CCN1CCN(c2ccc(Cl)cc2Cl)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.47274956,False
4337,Nc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9360409,False
4338,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2cccc(OCCF)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84987193,False
4339,O=C1N(CC23CNCC2COC3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.29225758,False
4340,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(O)c1F,[*]N1CCN([*])C1=O,0.80744106,False
4341,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.5081197,False
4342,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc2ccoc2c1,[*]N1CCN([*])C1=O,0.68907,False
4343,CC(C)c1cccc(CN2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.67412376,False
4344,CC1CCN(C(=O)CCN(Cc2ccccc2)C2COc3c(Cl)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.22883275,False
4345,CCCN(Cc1cnn(C(C)=O)c1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49280596,False
4346,COCC1CCCN1CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.45095104,False
4347,COc1cccc(CN2CCN(CCN3CCN(c4cccc(Cl)c4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.772421,False
4348,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9888229,True
4349,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc([N+](=O)[O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92852634,True
4350,O=C1N(CC2COCCN2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.39933425,False
4351,CC(C)N1CCNC(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.60190886,False
4352,CC(C1CCCNC1)N1CCN(c2ccc3c(c2)OCO3)C1=O,[*]N1CCN([*])C1=O,0.24429165,False
4353,CC12CCN(CCN3CCN(c4ccccc4Cl)C3=O)CC(C)(C1)C2,[*]N1CCN([*])C1=O,0.55610394,False
4354,COc1ccc(C)cc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78144246,False
4355,Cc1ccc2cc(N3CCN(CCN4CCc5ccccc5C4)C3=O)ccc2n1,[*]N1CCN([*])C1=O,0.6507737,False
4356,Cn1ccc(N2CCN(CCN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.7892036,False
4357,N#Cc1ccc(N2CCN(C3CCNCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.3110444,False
4358,O=C(NCC=CCN1CCN(CCF)CC1)c1ccc2[nH]ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3033431,False
4359,O=C1N(CCN2CCN(Cc3ccccc3)CC2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.7635932,False
4360,O=C1N(CCN2CCOCC2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.4333985,False
4361,CC1CCC(N2CCN(c3cccc(Cl)c3)C2=O)NC1,[*]N1CCN([*])C1=O,0.40433234,False
4362,CCCCc1ccc(OCC)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.79866916,False
4363,CCN1CCN(c2cc(CN(C)C)cs2)C1=O,[*]N1CCN([*])C1=O,0.2804815,False
4364,COc1cc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.83332455,False
4365,COc1ccccc1N1CCN(CC2CCNCC2)C1=O,[*]N1CCN([*])C1=O,0.38920665,False
4366,Cc1ccc(N2CCN(C3CCCCN3C)C2=O)cc1,[*]N1CCN([*])C1=O,0.2508231,False
4367,NC(CN1CCN(CN2Cc3ccccc3C2)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.56325704,False
4368,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccnc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7397439,False
4369,CC1(C)C2CCC1(N1CCN(CC3CCc4ccccc4O3)C1=O)CC2,[*]N1CCN([*])C1=O,0.5635763,False
4370,CC1CCCCN1CCN1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.48693293,False
4371,COc1ccccc1N1CCN(CCN2CCC(C)(C)CC2)C1=O,[*]N1CCN([*])C1=O,0.6192229,False
4372,COc1ccccc1N1CCN(CCN2CCC(C)CC2)C1=O,[*]N1CCN([*])C1=O,0.76199996,False
4373,O=C1N(CCN2CCCCC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.61672884,False
4374,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccccc1-n1cccn1,[*]N1CCN([*])C1=O,0.78913313,False
4375,CC1(C)CCCN(CCN2CCN(c3ccccn3)C2=O)C1,[*]N1CCN([*])C1=O,0.55102146,False
4376,CC1(CN2CCN(c3cccc(C(F)(F)F)c3)C2=O)CCCCN1,[*]N1CCN([*])C1=O,0.3653838,False
4377,CC12CCC(N3CCN(C4Cc5ccccc5O4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.3579351,False
4378,CCCN(CCN1CCN(c2cccc3ccccc23)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.81251013,False
4379,COC1C2CCC1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.8348163,False
4380,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1csc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7796834,False
4381,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1c[nH]c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76067173,False
4382,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86538005,False
4383,O=C1N(CCN2CCOCC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.40544587,False
4384,CC1CCCN(CCN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1,[*]N1CCN([*])C1=O,0.60198766,False
4385,CCN(CC1CCC(NC(=O)OC(C)(C)C)C1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.27874032,False
4386,CN(CN1CCN(c2ccc(Cl)cc2)C1=O)CC12CCC1CC2(C)C,[*]N1CCN([*])C1=O,0.57398903,False
4387,COc1cccc2c1OCC(N(CCCN1C(=O)CC3(CCCC3)CC1=O)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5000521,False
4388,COc1cccc2c1OCC(N(CCN1CCC(=O)CC1)CC1CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.69731015,False
4389,Cc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6244518,False
4390,Cc1cc(N2CCN(CCN3CCc4c(Cl)cccc4C3)C2=O)on1,[*]N1CCN([*])C1=O,0.61697584,False
4391,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(Br)s1,[*]N1CCN([*])C1=O,0.55171555,False
4392,CC1CCN(C(=O)CCN(C)C2COc3c(Br)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.27904877,False
4393,CC1CCN(C(=O)CCN(Cc2ccc(F)cc2)C2COc3c(F)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.25580862,False
4394,CCCCN(CCC)C1COc2c(cccc2C(=O)Oc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56841224,False
4395,COc1ccccc1N1CCN(CC=CCNC(C)=O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9625934,False
4396,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc2cc[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72705567,False
4397,O=C(NCC=CCN1CCN(c2cccc(F)c2)CC1)c1ccc(CCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4582301,False
4398,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1cccc([N+](=O)[O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.748668,False
4399,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(-c2ccsc2)c1,[*]N1CCN([*])C1=O,0.759383,False
4400,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cc(F)cc2ccccc12,[*]N1CCN([*])C1=O,0.583343,False
4401,CC(=O)c1cccc(N2CCN(CCN3CCc4ccccc4N3)C2=O)c1,[*]N1CCN([*])C1=O,0.45523375,False
4402,CC1(C)CCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.6660159,False
4403,CCc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)s1,[*]N1CCN([*])C1=O,0.7527471,False
4404,CN1CCN(CN2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5252471,False
4405,COc1ccccc1N1CCN(CC=CCNC(=O)Cc2cccc(N)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8187788,False
4406,Cc1ccccc1N1CCN(CC2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.37020466,False
4407,O=C1N(CCN2CCCNC2)CCN1c1cccc(Cl)n1,[*]N1CCN([*])C1=O,0.6224387,False
4408,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.7694442,True
4409,CC(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96115005,False
4410,CC12CCC(N(CCN3CCN(c4ccccc4)C3=O)C1)C(C)(C)C2,[*]N1CCN([*])C1=O,0.6274226,False
4411,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(C)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7709214,False
4412,N#Cc1ccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.71688694,False
4413,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(F)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.98604757,False
4414,CC12CCC(N3CCN(C4CCN(Cc5ccccc5)CC4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.709523,False
4415,CCCN(CC(=O)N1CCc2ccccc2C1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.32066262,False
4416,CCCN(CC)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.64475495,False
4417,CCN(CCN1CCN(c2ccccc2)C1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62777483,False
4418,CN(CN1CCN(Cc2ccc(Cl)cc2)C1=O)CC12CCC1CC2(C)C,[*]N1CCN([*])C1=O,0.47117013,False
4419,Cc1cccc(N2CCN(CCN3CC4CCC3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.62668735,False
4420,Cn1ccc(N2CCN(CC3COCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.32838932,False
4421,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9791852,True
4422,CC1CCN(CN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.68515915,False
4423,CCCN(CC)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.68265456,False
4424,CCCN(CCCN1CC(=O)CC2(CCCC2)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.61531156,False
4425,COc1ccc2[nH]c(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9759347,True
4426,COc1cccc(CN2CCN(c3cccc(CN(C)C)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.39311936,False
4427,O=C1N(CCN2CCCc3ccccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.57883,False
4428,O=C1N(CCN2Cc3ccc(Cl)cc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.7093109,False
4429,O=C1N(CN2CCCCCC2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.32488155,False
4430,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(-c2cccnc2)s1,[*]N1CCN([*])C1=O,0.5094352,False
4431,O=C1N(c2cc(F)cc(F)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.28971392,False
4432,CN1CCCCC1CN1CCN(c2cccnc2)C1=O,[*]N1CCN([*])C1=O,0.46182138,False
4433,CN1CCCCC1N1CCN(C2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.49647096,False
4434,COc1ccccc1N1CCN(CC=CCNC(=O)CNCc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79141796,False
4435,COc1ccccc1N1CCN(CCN2Cc3ccccc3NC2=O)C1=O,[*]N1CCN([*])C1=O,0.53162557,False
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4438,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(F)c1Cl,[*]N1CCN([*])C1=O,0.8431281,False
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4440,CCCN(CCC(=O)N1CCC(C)CC1)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4228973,False
4441,CCN(CC(=O)N1CCN(c2ccc3ccccc3c2)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.16642027,False
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4444,Cc1ccccc1N1CCN(CC=CCNC(=O)c2cc3cc(O)ccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6294671,False
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4446,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8849958,False
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4448,CCCN(CCC(=O)N1CCC(C)CC1)C1COc2c(cccc2C(=O)O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3943609,False
4449,CN1CCCC1N1CCN(C23CCC(CC2)C3(C)C)C1=O,[*]N1CCN([*])C1=O,0.31292203,False
4450,CN1CCN(CCN2CCN(c3ccc(Cl)cc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.62994295,False
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4452,Cc1csc(N2CCN(CCN3CC4=C(CC=CC=C4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.5595985,False
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4456,COC(C)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8424948,False
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4459,Cc1ccc2cc(N3CCN(CCN4CCc5ccccc5C4)C3=O)sc2n1,[*]N1CCN([*])C1=O,0.6468676,False
4460,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1csc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79322284,False
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4462,CN(C)CCN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.5231576,False
4463,COc1cc(Br)cc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7967673,False
4464,COc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2ccccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41433182,False
4465,COc1cccc(N2CCN(CCN3CCc4ccsc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7319756,False
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4468,O=C1Nc2ccccc2CN1CCN1CCN(c2ccc(Cl)cc2Cl)C1=O,[*]N1CCN([*])C1=O,0.5136038,False
4469,CCCN(CC(=O)N1CCCCC12CC(=O)C(O)C2)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.31363407,False
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4473,O=C1N(CCN2CC3CC(C3)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.63205034,False
4474,O=C1N(CCN2CC3CCC(Cc4ccccc42)C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.54928446,False
4475,O=C1N(Cc2ccccc2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.37529737,False
4476,CC(CN1CCN(CN2Cc3ccccc3C2)C1=O)N1CCc2ccccc2C1,[*]N1CCN([*])C1=O,0.41828263,False
4477,CCCN(CCC(=O)N1CCC(C)CC1)C1COc2c(C=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.36898646,False
4478,CCN(C)CCN1CCN(c2ccccc2OC)C1=O,[*]N1CCN([*])C1=O,0.5216459,False
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4480,CN(C)Cc1csc(N2CCN(CC3Cc4ccccc4CN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.3786411,False
4481,CN(Cc1cc2ccccc2s1)CN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.42650256,False
4482,COC(C)N1CCN(CCN2CCN(c3cccc(Cl)c3)C2)C1=O,[*]N1CCN([*])C1=O,0.6440223,False
4483,COc1cccc(N2CCN(CCOC3CCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.69162905,False
4484,O=C1N(CCN2CC3CC2(c2ccccc2)C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.362721,False
4485,O=C1N(CCOC2CCCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5732644,False
4486,CC1CCN(C(=O)CCN(C)C2COc3c(F)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.26710984,False
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4490,O=C1N(CCN2CCCc3sccc32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.58990294,False
4491,CCN1CCCC1CNC(=O)c1c(C(C)=O)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.92888474,False
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4494,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7439682,False
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4499,CCCN(CC)C1COc2c(cccc2-c2ccc(C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57076675,False
4500,CCN(CCCN1C(=O)CCCC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4934284,False
4501,CN(CCC(=O)N1CCCCC1)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.21874093,False
4502,CN(CN1CCN(c2ccccc2F)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.47821358,False
4503,CN1CCN(CN2CCN(C34CCC(CC3)C4(C)C)C2=O)CC1,[*]N1CCN([*])C1=O,0.43845734,False
4504,COc1cccc2c1OCC(N(C)CC1CCN(CC(=O)OC(C)(C)C)CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.44309708,False
4505,O=C1N(CC(=O)N2CCc3c(F)cccc32)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.20643291,False
4506,O=C1N(CCN2CCCCC2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.6444124,False
4507,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccc(-c2cccs2)s1,[*]N1CCN([*])C1=O,0.58378226,False
4508,CC1(C)CC2(CCN2CN2CCN(c3ccccc3Cl)C2=O)C2CCC21,[*]N1CCN([*])C1=O,0.30120516,False
4509,CCCCN(CCC)C1COc2c(cccc2-c2ccc(O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.67724705,False
4510,COc1ccc(N2CCN(C3CCCNC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.24070084,False
4511,COc1cccc(NC(=O)C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5036673,False
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4513,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1cc2ccccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88084394,False
4514,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.9051878,False
4515,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.641356,False
4516,CCN(C(C)C)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39694825,False
4517,CN1CCCCC1CN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.64493054,False
4518,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccc(-c4ncccn4)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8507936,False
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4520,O=C1N(CCN2CC3Cc4ccccc4C(C3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6732485,False
4521,O=C1N(CCN2Cc3ccccc3C2)CCN1c1csc(Cl)c1,[*]N1CCN([*])C1=O,0.81288457,False
4522,CCCN(CCc1ccc(N(C)C)cc1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6873364,False
4523,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(OC)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79447454,False
4524,COc1cccc(N2CCN(c3cc(Cl)cc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.22642201,False
4525,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccn3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80616665,False
4526,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(OCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8468133,False
4527,O=C1N(CCN2CCCc3ccccc32)CCN1c1cncc(Cl)c1,[*]N1CCN([*])C1=O,0.36576706,False
4528,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(F)nc1,[*]N1CCN([*])C1=O,0.86419106,False
4529,O=C1N(Cc2ccccc2)CCN1Cc1cc2ccccc2o1,[*]N1CCN([*])C1=O,0.34832802,False
4530,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CCCNCC1,[*]N1CCN([*])C1=O,0.30848938,False
4531,CC(=O)n1cc2ccc(N3CCN(CCN4CCc5ccccc5C4)C3=O)cc2c1,[*]N1CCN([*])C1=O,0.43016678,False
4532,CC1(C)C2CCC1(N1CCN(CN3CCN(Cc4cccc(Cl)c4)CC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.5220318,False
4533,CC1(C)C2CCCN(CCN3CCN(c4ccccc4Cl)C3=O)C1CC2,[*]N1CCN([*])C1=O,0.3791098,False
4534,CCCN(CCC)C1COc2c(cccc2C(=O)OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.58540833,False
4535,CCN(C)CCN1CCN(C2COCc3ccccc3N2C)C1=O,[*]N1CCN([*])C1=O,0.38448098,False
4536,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(OC)c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96260595,False
4537,Cc1cc(CN2CCN(C3Cc4ccccc4C3)C2=O)on1,[*]N1CCN([*])C1=O,0.31851846,False
4538,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc2ccsc12,[*]N1CCN([*])C1=O,0.508082,False
4539,CC(CN1CCN(c2cccc(C(F)(F)F)c2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.44598442,False
4540,CCN(C)CCN1CCN(c2ccc(F)c(F)c2)C1=O,[*]N1CCN([*])C1=O,0.5541598,False
4541,COC(C)N1CCN(CN2CCN(Cc3ccccc3)CC2)C1=O,[*]N1CCN([*])C1=O,0.4997467,False
4542,COc1ccc(CC(=O)NCC=CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34058338,False
4543,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(Br)cc(OC)c2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9762688,False
4544,Cc1ccc(N2CCN(CCN3CCCc4ccccc43)C2=O)cc1,[*]N1CCN([*])C1=O,0.42346215,False
4545,Nc1cc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.736837,False
4546,O=C(CNCc1ccccc1F)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6732174,False
4547,O=C1N(CCN2CCCC(c3ccsc3)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.62781763,False
4548,O=C1N(c2cccc(F)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.29293993,False
4549,CC(CN1CCN(c2cccc(OC(F)(F)F)c2)C1=O)N1CCN(CC(F)(F)F)CC1,[*]N1CCN([*])C1=O,0.34030208,False
4550,CC(c1ccccc1)N1CCN(CCN2CCCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.4189838,False
4551,COc1cccc2c1OCC(N(CC=Cc1ccccc1)CCCN1C(=O)CN(c3ccccc3)C1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4167505,False
4552,Cc1cccc(N2CCN(CCN3CCN(C(C)C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8491269,False
4553,C=CCN1CCCC1CNC(=O)c1c(C)ccc(SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.51392704,False
4554,CN(C)c1ccc(N2CCN(C3CCCCN3)C2=O)cc1,[*]N1CCN([*])C1=O,0.26052168,False
4555,CN(C)c1cccc(C(=O)NCC=CCN2CCN(c3ccccc3F)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6747768,False
4556,COc1cccc2c1OCC(N(CC1CC1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.59878916,False
4557,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1coc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.641199,False
4558,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccc2ncsc2c1,[*]N1CCN([*])C1=O,0.28021795,False
4559,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.65701926,False
4560,CCN(CC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.19534455,False
4561,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)C1C2CCC3CC2CC31C,[*]N1CCN([*])C1=O,0.6828444,False
4562,CN(Cc1cccs1)CN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.37693793,False
4563,Cc1ccsc1N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.49025378,False
4564,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)NC(=O)c1ccc2ccccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77300483,False
4565,O=C1N(CCN2CCCC(c3cccs3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8508025,False
4566,O=C1N(Cc2cccc(Cl)c2F)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.30367324,False
4567,CN(C)c1cccc(N2CCN(CCN3CCOCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.4651393,False
4568,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC1C2CCC1(C)CC2,[*]N1CCN([*])C1=O,0.76793987,False
4569,CN(Cc1ccccc1)CN1CCN(CCN2CCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.47238854,False
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4572,Cc1cc(N2CCN(CCN3CCCc4ccccc43)C2=O)cs1,[*]N1CCN([*])C1=O,0.3891143,False
4573,Cc1cccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)n1,[*]N1CCN([*])C1=O,0.7345713,False
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4575,CC(=O)n1ccc2cc(N3CCN(CCN4CCc5ccccc5C4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.64067054,False
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4577,CC12CCC1CN(CCN1CCN(c3ccccc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.6061681,False
4578,CCN(CC1CCCCC1)N1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.2718242,False
4579,COc1c[nH]c(C(=O)NCC=CCN2CCN(c3ccccn3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42771208,False
4580,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3cc[nH]c3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88421255,False
4581,O=C1N(c2cccc(F)c2)CCN1C1CCCNCC1,[*]N1CCN([*])C1=O,0.3123824,False
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4583,CC1(C)C2CCC1(N1CCN(CC3CCOC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.3063583,False
4584,CCN(CCCN1CCN(c2cccc(Cl)c2)C1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7181353,False
4585,CN1CC2CC1CCC2CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.3966428,False
4586,Cc1ccc(N2CCN(CCN3CCc4ccccc4N3)C2=O)cc1,[*]N1CCN([*])C1=O,0.5816844,False
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4590,CC(C)Oc1ccccc1N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.548878,False
4591,CC12CCC(N3CCN(CC4COc5ccccc5O4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.30831814,False
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4596,O=C(c1cccc(Cl)c1)N1CCN(CC2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.23234345,False
4597,O=C1N(CCN2CCCCCC2)CCN1c1cccc(Cl)n1,[*]N1CCN([*])C1=O,0.71745807,False
4598,CC1(C)CCC2(C)CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C12C,[*]N1CCN([*])C1=O,0.7692247,False
4599,CN1CCCCC1N1CCN(C2CCCNC2)C1=O,[*]N1CCN([*])C1=O,0.29497284,False
4600,CN1CCN(Cc2ccc(CN3CCN(c4cccc(Cl)c4)C3=O)s2)CC1,[*]N1CCN([*])C1=O,0.49143547,False
4601,COCC1C2CCC1N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.7744906,False
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4603,COc1ccccc1N1CCN(CN(C)Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.36880276,False
4604,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38772088,False
4605,Cc1csc(N2CCN(CC(C)N3CCN(C)CC3)C2=O)n1,[*]N1CCN([*])C1=O,0.2648338,False
4606,O=C1N(CCN2C3CCC2Cc2ccccc2C3)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.53417915,False
4607,O=C1N(c2ccc(Cl)cc2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.26839802,False
4608,CC(C)N1CCN(CN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.4128827,False
4609,CN(C)Cc1csc(N2CCN(c3ccc(F)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.29890963,False
4610,CN(CN1CCN(c2ccc(Cl)cc2Cl)C1=O)CC12CCC(CC1(C)C)C2,[*]N1CCN([*])C1=O,0.53536326,False
4611,COc1ccc(N2CCN(CCN3Cc4ccccc4NC3=O)C2=O)cc1,[*]N1CCN([*])C1=O,0.64679027,False
4612,Cc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6940237,False
4613,O=C1N(CC2CCCCN2)CCN1c1ccc(Cl)nc1,[*]N1CCN([*])C1=O,0.45280722,False
4614,O=C1N(CCN2CCCc3ccsc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8502483,False
4615,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.7073216,False
4616,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(-c2ccncc2)c1,[*]N1CCN([*])C1=O,0.8334253,False
4617,CN(Cc1cccc(Cl)c1)CN1CCN(CC(=O)N2CCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.19200456,False
4618,CN1CCN(Cc2cccc(N3CCN(CN(C)Cc4ccccc4)C3=O)c2)CC1,[*]N1CCN([*])C1=O,0.573162,False
4619,COc1cccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.9375235,True
4620,Cc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7229428,False
4621,O=C1N(CC(=O)N2CCc3c(F)cccc32)CCN1CC1NCCc2ccccc21,[*]N1CCN([*])C1=O,0.23279387,False
4622,O=C1N(CC2CCNCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.53563374,False
4623,O=C1N(CCN2CC3CCC2Cc2ccccc23)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.652775,False
4624,O=C1N(CN2CCCCCC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.42528978,False
4625,CC(C)Oc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8460561,False
4626,CC1(C)CC2CCN(C2CN2CCN(c3cccc(Cl)c3)C2=O)C1(C)C,[*]N1CCN([*])C1=O,0.4430404,False
4627,COc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4ccccc4C)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59305084,False
4628,N#Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1F,[*]N1CCN([*])C1=O,0.86111546,False
4629,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(CCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.660167,False
4630,O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1Cc1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.3606366,False
4631,CC(C)(C)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8661264,False
4632,CCN1CCC(N2CCN(c3cccc(C)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.50821537,False
4633,CNc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77935165,False
4634,COCC1C2CCC1(C)N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.70586586,False
4635,COc1ccc(N2CCN(CCOC3CCCC3)C2=O)c(Cl)c1,[*]N1CCN([*])C1=O,0.40942618,False
4636,Cc1ccc(N2CCN(CC(=O)N3CCc4ccccc4C3)C2=O)o1,[*]N1CCN([*])C1=O,0.0829108,False
4637,O=C1N(CCN2CCC3(c4ccccc4)CC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7733337,False
4638,O=C1N(CCN2CCCc3ccccc32)CCN1c1cccc2ncsc12,[*]N1CCN([*])C1=O,0.34670898,False
4639,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(F)c(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.62861276,False
4640,O=C1N(c2ccc(F)cc2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.28201464,False
4641,CC(C)N(CC1CC1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52638656,False
4642,CCN(CC)C1COc2c(cccc2-c2ccc(OC(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52648795,False
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4644,CN1CCCCC1CN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4457727,False
4645,COc1cc(Cl)cc(N2CCN(CCN3CCc4ccccc4N3)C2=O)c1,[*]N1CCN([*])C1=O,0.57349813,False
4646,O=C(F)c1cccc(N2CCN(C3CCNCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.1644451,False
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4648,O=C1N(CCN2CCOCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.42070907,False
4649,O=C1Nc2ccccc2CN1CCN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.82070446,False
4650,CC1CCCNC1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.63390374,False
4651,CCN1CCCC1CNC(=O)c1c(Cl)ccc(SC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8575404,False
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4653,COc1ccccc1N1CCN(Cc2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.31000626,False
4654,Cc1ccc(N2CCN(CC(C)N3CCN(C(C)C)CC3)C2=O)o1,[*]N1CCN([*])C1=O,0.17995395,False
4655,O=C1N(CCN2CCC(O)(c3ccc(Cl)cc3)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8589404,False
4656,O=C1N(c2cccc(C(F)(F)F)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.29168102,False
4657,CC(C)N1CCN(CCN2CCN(c3ccc(O)c(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7568482,False
4658,CCCN(CCCN1CCCC1C(=O)N1CC2(CCCC2)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43395868,False
4659,COc1cccc2c(C(=O)NCC=CCN3CCN(c4cccc(C(F)(F)F)c4)CC3)ccnc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3734581,False
4660,O=C1N(CC2CCNCC2)CCN1c1cccc(Cl)n1,[*]N1CCN([*])C1=O,0.44039246,False
4661,O=C1N(CCN2CC3CCC2CC3)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.45561522,False
4662,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cccc2cccnc12,[*]N1CCN([*])C1=O,0.47422978,False
4663,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(F)c(F)c1,[*]N1CCN([*])C1=O,0.6148216,False
4664,O=C1N(Cc2ccsc2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.62616616,False
4665,CCCN(C(C)C)C1COc2c(cccc2C(=O)Br)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46702394,False
4666,CCc1cccc(N2CCN(CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.62151617,False
4667,CN(CCC(N)=O)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3586382,False
4668,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)OCO3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76721925,False
4669,Cc1cc(N2CCN(CCN3CCc4ccccc4C3)C2=O)no1,[*]N1CCN([*])C1=O,0.66053855,False
4670,O=C1N(CC2CCNCC2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.42640066,False
4671,O=C1N(CCN2CC3CCC2Cc2ccsc2C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.55381435,False
4672,O=C1N(CN2Cc3ccccc3C2)CCN1c1cc(-c2ccccn2)cs1,[*]N1CCN([*])C1=O,0.46366993,False
4673,CC1CCN(CN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6085308,False
4674,CCCN(CCC)C1COc2c(cccc2C(=O)Oc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6201574,False
4675,CCN(C(C)C)C1COc2c(cccc2C(=O)c2cc3ccccc3o2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.22796258,False
4676,CCNC(CN1CCN(c2ccc3c(c2)OCO3)C1=O)C12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.37811673,False
4677,CN(CN1CCN(c2cccc(Cl)c2)C1=O)CC12CCN(C)c3cccc(c31)C2,[*]N1CCN([*])C1=O,0.56964135,False
4678,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9119548,False
4679,CSc1cccc(N2CCN(CCOC3CCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.62687993,False
4680,O=C1N(CCOC2CCCC2)CCN1c1ccc(F)cc1F,[*]N1CCN([*])C1=O,0.43297005,False
4681,O=C1Nc2ccccc2CN1CCN1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7801907,False
4682,CCN(CC1CCCN1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51717746,False
4683,CN(Cc1ccccc1)CN1CCN(CCN2CCCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.6488592,False
4684,COC(C)N1CCN(C(C)N2CCN(Cc3ccccc3)CC2)C1=O,[*]N1CCN([*])C1=O,0.4181347,False
4685,COc1cccc2c1C1CCN(CCN3CCN(c4ccccc4Cl)C3=O)C(C2)C1,[*]N1CCN([*])C1=O,0.5698408,False
4686,COc1ccccc1N1CCN(CC2CCCN(C)CC2)C1=O,[*]N1CCN([*])C1=O,0.40220803,False
4687,Cc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3C(F)(F)F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6537149,False
4688,O=C1N(C2CCC[S+]([O-])C2)CCN1C1COCN1,[*]N1CCN([*])C1=O,0.19004951,False
4689,O=C1N(CCN2CCCCCC2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.87479854,False
4690,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(Cl)n1,[*]N1CCN([*])C1=O,0.80358505,False
4691,CC(C)(C)c1cccc(N2CCN(CCN3Cc4ccccc4NC3=O)C2=O)c1,[*]N1CCN([*])C1=O,0.70686114,False
4692,CC(C)N1CCN(CCN2CCN(c3cccc(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8328592,False
4693,CC1CCN(C(=O)CCN(CCc2ccccc2)C2COc3c(cccc3C(F)(F)F)C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.2412346,False
4694,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.909821,False
4695,Nc1cnccc1C(=O)NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7758821,False
4696,O=C1N(CCN2Cc3cccc(Cl)c3C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.7623695,False
4697,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccccc1C(F)(F)F,[*]N1CCN([*])C1=O,0.8362156,False
4698,O=C1N(CN2Cc3ccccc3C2)CCN1c1sccc1-c1ccncc1,[*]N1CCN([*])C1=O,0.5578018,False
4699,CC(CN1CCN(Cc2cccc(C(F)(F)F)c2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.39329463,False
4700,CC1(C)C2CCC1N(CCN1CCN(c3ccccc3Cl)C1=O)CC2,[*]N1CCN([*])C1=O,0.37945083,False
4701,CCCN(CCC)C1COc2c(cccc2C(=O)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.65539765,False
4702,Cc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7339091,False
4703,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccc(F)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85233676,False
4704,O=C(NCC=CCN1CCN(CNCc2ccccc2OCCF)CC1)c1ccc2cc[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.25020492,False
4705,O=C1N(Cc2cccc(Cl)c2F)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.40870804,False
4706,CC(O)N1CCN(CCN2CCN(c3cccc(Cl)c3)CC2)C1=O,[*]N1CCN([*])C1=O,0.7201102,False
4707,CCN(CC)C1COc2c(cccc2-c2ccccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.44877398,False
4708,CCN1CCCCC1CN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.32494646,False
4709,CN(C)Cc1csc(N2CCN(Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.26431957,False
4710,CN(Cc1ccccc1)CN1CCN(c2cccc3c2CCCN3)C1=O,[*]N1CCN([*])C1=O,0.389512,False
4711,CN1C2CCC(CN3CCN(c4ccccc4)C3=O)CC1C2,[*]N1CCN([*])C1=O,0.51326704,False
4712,CNc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5629185,False
4713,O=C1N(CCN2CCCCc3ccoc3C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.6193127,False
4714,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(-c2ccccc2)s1,[*]N1CCN([*])C1=O,0.78817064,False
4715,CC(C)N1CCN(c2cccc(CN(C)C)c2)C1=O,[*]N1CCN([*])C1=O,0.24372968,False
4716,CC(CN1CCN(c2cccc(CN(C)C)c2)C1=O)N1CCc2c(Cl)cccc21,[*]N1CCN([*])C1=O,0.3478626,False
4717,CCCN(CC1CCCC1)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.65982944,False
4718,CCc1ccc(Cl)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8659106,False
4719,CN(C)c1cccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85969985,False
4720,Cc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82393897,False
4721,Cc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82749325,False
4722,O=C1N(CCN2CCc3ccccc3N2)CCN1C1COCO1,[*]N1CCN([*])C1=O,0.5285578,False
4723,COCC12CCC1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.8301434,False
4724,COCC1CC2CCC2N(CCN2CCN(c3ccccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.40410873,False
4725,Cc1cccc(-c2ccccc2C(=O)NCC=CCN2CCN(c3cccc(C)c3Cl)CC2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75917226,False
4726,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(-c2cccc(O)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.44674397,False
4727,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8751583,False
4728,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.9477551,True
4729,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1cccc(O)c1,[*]N1CCN([*])C1=O,0.85306424,False
4730,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.77420044,False
4731,O=C1N(CN2CC3CCC(CC3)C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5513446,False
4732,CCCCN(C(C)C)C1COc2c(cccc2C(=O)OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.31881908,False
4733,CCCCN(CC)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5882059,False
4734,Cc1cc(CN2CCN(Cc3ccc(Cl)cc3)C2=O)on1,[*]N1CCN([*])C1=O,0.16857332,False
4735,Cc1ccccc1N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.61591786,False
4736,Cc1csc(N2CCN(CC(=O)N3CCc4ccccc4C3)C2=O)n1,[*]N1CCN([*])C1=O,0.11317148,False
4737,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82813793,False
4738,O=C(c1ccccc1)N1CCN(C2CCNCC2)C1=O,[*]N1CCN([*])C1=O,0.1642981,False
4739,CC(C)N1CCN(CCN2CCN(c3ccc(C#N)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.77910995,False
4740,CC12CCC(N3CCN(Cc4ccc5c(c4)NC(=O)CO5)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.33660764,False
4741,Nc1cccc(CC(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7676868,False
4742,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc(Br)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75116223,False
4743,O=C1N(CCN2CCCCCC2)CCN1c1ccc(Cl)cc1F,[*]N1CCN([*])C1=O,0.6604961,False
4744,O=C1N(CN2Cc3ccccc3C2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.6326716,False
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4781,O=C1N(CCN2CCc3ccsc3CC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.6265074,False
4782,O=C1N(CCN2Cc3ccccc3C2)CCN1CC(F)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7853365,False
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4785,CCN(C)CCN1CCN(C2COOO2)C1=O,[*]N1CCN([*])C1=O,0.43357536,False
4786,CCN(C)CCN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.72242725,False
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4794,CN1CCCC(CN2CCN(c3ccccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.3634561,False
4795,COc1ccc(N2CCN(C3CCCCN3)C2=O)cc1,[*]N1CCN([*])C1=O,0.25800467,False
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4797,O=C1N(CCN2CCc3ccccc32)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.4909456,False
4798,O=C1N(CN2C3CCCC2CC3)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.4079287,False
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4800,CC1(C)CCC2(CN(CCN3CCN(c4ccc5c(c4)OCO5)C3=O)C2)C1,[*]N1CCN([*])C1=O,0.5634598,False
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4802,CN1CCN(CCN2CCN(c3cc(Cl)ccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.661258,False
4803,Cc1ncccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.76305753,False
4804,O=C1N(c2ccccc2C(F)(F)F)CCN1c1cccc2ncsc12,[*]N1CCN([*])C1=O,0.16064297,False
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4807,CN(C)Cc1cc(CN2CCN(c3cccc(F)c3)C2=O)no1,[*]N1CCN([*])C1=O,0.2910128,False
4808,CN(C)c1cccc(C(=O)NCC=CCN2CCN(c3cccc(OCCF)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38263384,False
4809,CN1CCN(CCN2CCN(Cc3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6136397,False
4810,COCC1C2CCC1N(CCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.69455725,False
4811,Cc1cccc(N2CCN(CCOC3CCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.6079019,False
4812,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.81732917,False
4813,O=C1N(CCN2CCOCC2)CCN1Cc1cc(Cl)co1,[*]N1CCN([*])C1=O,0.30859572,False
4814,CC1(C)C2CCC1(N1CCN(C3CCCOC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.19333324,False
4815,CC12CCCC(C1)N(CN1CCN(c3ccccc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.31810093,False
4816,CCN(C)CCN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.68089163,False
4817,Cc1cccc(N2CCN(CC3COCCN3)C2=O)n1,[*]N1CCN([*])C1=O,0.21959066,False
4818,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cnc2ccccc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9488753,True
4819,O=C1N(CCN2CCCc3ccccc32)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.48915443,False
4820,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc2sccc12,[*]N1CCN([*])C1=O,0.682442,False
4821,CC(=O)c1cccc2c1OCC(N(CCC(=O)N1CCC(C)CC1)Cc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.22872737,False
4822,CCN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.37003443,False
4823,COc1cccc(N2CCN(CN3CCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.68630475,False
4824,COc1ccccc1N1CCN(CC=CCNC(=O)CCNC(=O)c2ccc(CCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7284701,False
4825,COc1ccccc1N1CCN(CCN(C)C)C1=O,[*]N1CCN([*])C1=O,0.44359705,False
4826,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3N)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7941065,False
4827,O=C(NCC=CCN1CCN(c2ccc(Cl)cc2)CC1)c1cccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.55109406,False
4828,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2scnc2c1,[*]N1CCN([*])C1=O,0.8074095,False
4829,CC(C)CN1CCN(c2cccc(CN3Cc4ccccc4C3)c2)C1=O,[*]N1CCN([*])C1=O,0.59453636,False
4830,CCCCN(CC1CC1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5856283,False
4831,CCCN(C)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71247685,False
4832,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93644845,False
4833,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1cccc(-c2cccnc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8048713,False
4834,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.89695704,False
4835,O=C1N(Cc2ccccc2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.341131,False
4836,O=C1N(c2ccc3c(c2)OCO3)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.23706852,False
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4840,N#Cc1cc(N2CCN(CCN3CCc4ccccc4N3)C2=O)c[nH]1,[*]N1CCN([*])C1=O,0.60783076,False
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4846,CCCCN(CC1CC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.66299474,False
4847,CCCN(C1CCC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5771452,False
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4849,COc1cccc(CN2CCN(CCN3CCN(c4ccc(Cl)cc4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.79932106,False
4850,O=C1N(CCN2C3CCCC2CC3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5151632,False
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4855,O=C1N(CCN2CCCCCC2)CCN1c1ccc(C(F)(F)F)nc1,[*]N1CCN([*])C1=O,0.7177603,False
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4857,O=C1N(CCN2CCNCC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5440232,False
4858,O=C1N(CCN2CCc3ccccc3C2)CCN1c1csc(-c2ccccc2)n1,[*]N1CCN([*])C1=O,0.66615283,False
4859,O=C1N(CCN2Cc3ccccc3C2)CCN1c1csc(-c2ccccn2)c1,[*]N1CCN([*])C1=O,0.8407679,False
4860,O=C1N(CN2CC3CCC2CC3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.41134602,False
4861,O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.37563047,False
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4864,COc1cccc2c1OCC(N(CCN1CCN(c3cccc(Cl)c3)CC1)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6267186,False
4865,COc1ccccc1N1CCN(CC2CCCCN2C)C1=O,[*]N1CCN([*])C1=O,0.42495626,False
4866,O=C1N(CCN2CCc3ccccc3C2)CCN1c1coc2ccccc12,[*]N1CCN([*])C1=O,0.5172494,False
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4869,Cc1csc(N2CCN(CC3CN(C)CCC3Cl)C2=O)n1,[*]N1CCN([*])C1=O,0.28319904,False
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4872,O=C1N(CC2CCCCN2)CCN1c1ccc(F)cc1F,[*]N1CCN([*])C1=O,0.3378342,False
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4874,O=C1N(CCOC2CCCC2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.46723327,False
4875,O=CC(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7631228,False
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4878,Cc1ccc(CN2CCN(CCOC3CCCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.30549106,False
4879,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc2c1-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7823257,False
4880,O=C1N(CC2COCCN2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.21206775,False
4881,O=C1N(CC2COc3ccccc3N2)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.3798545,False
4882,O=C1N(CCN2CCC3Cc4ccccc4CC3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5833676,False
4883,O=C1N(CCN2CCc3ccccc3C2)CCN1c1sccc1C(F)(F)F,[*]N1CCN([*])C1=O,0.6646902,False
4884,O=C1N(CN2CCc3ccccc3C2)CCN1c1cccc2cccnc12,[*]N1CCN([*])C1=O,0.4814951,False
4885,C=CCN1CCCC1CNC(=O)c1c(Nc2ccccc2OC)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.38535523,False
4886,CC1Cc2ccccc2N1CN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.47917217,False
4887,CCN(CC)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.35189202,False
4888,CN(CCN1CCN(c2ccc3c(c2)OCO3)C1=O)CC1C2CCC1CC2,[*]N1CCN([*])C1=O,0.5975558,False
4889,O=C1N(CCN2CCc3ccccc3C2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.6591332,False
4890,O=C1N(CNC2CCCCCC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.25306484,False
4891,O=C1N(c2ccccc2Cl)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.2099147,False
4892,CC12CCC(N3CCN(Cc4ccc5ccccc5c4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.2835779,False
4893,CC1CC2CCC(C)(C2)N1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.79062855,False
4894,CN1CCN(CCN2CCN(c3ccc(C(F)(F)F)s3)C2=O)CC1,[*]N1CCN([*])C1=O,0.673791,False
4895,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc2c(c1)CCc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79666394,False
4896,O=C1N(CCN2CCCCC2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.74079883,False
4897,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.79062295,False
4898,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc(-c2ccon2)c1,[*]N1CCN([*])C1=O,0.47629952,False
4899,O=C1N(Cc2cccnc2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.57012236,False
4900,CCc1ccccc1N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5360664,False
4901,COc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccco3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34455013,False
4902,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79761714,False
4903,Cc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cc3ccccc3s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6749797,False
4904,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccco1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7339273,False
4905,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1O,[*]N1CCN([*])C1=O,0.7880933,False
4906,O=C1N(CN2Cc3ccccc3C2)CCN1c1cnc2ccccc2c1,[*]N1CCN([*])C1=O,0.50795424,False
4907,CCN(C(C)C)C1COc2c(N)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5563806,False
4908,CCc1ccc(C)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8511135,False
4909,CCc1ccc(OC)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9463664,True
4910,CN(C)CCN1CCN(c2cccc([N+](=O)[O-])c2)C1=O,[*]N1CCN([*])C1=O,0.50864,False
4911,CN(Cc1cccs1)CN1CCN(c2cccc(CN3CCOC3)c2)C1=O,[*]N1CCN([*])C1=O,0.43891725,False
4912,COc1ccc(N2CCN(CCNC(=O)c3cc(Br)c4ccccc4c3OC)CC2)cc1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.945689,True
4913,O=C1N(CCN2CC3Cc4ccccc4CC2C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.52539366,False
4914,CC1CCN(C(=O)CCN(c2cccc(F)c2F)C2COc3c(F)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.20659117,False
4915,CN(CC1CC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5954887,False
4916,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccc(F)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70898557,False
4917,Cc1ccc(-c2cccc(C(=O)NCC=CCN3CCN(c4ccccc4F)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54320365,False
4918,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.48899713,False
4919,O=C1N(c2cccc(CN3CCOC3)c2)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.3163639,False
4920,COc1ccc(F)cc1N1CCN(CCN2CCN(C(C)C)CC2)C1=O,[*]N1CCN([*])C1=O,0.64919794,False
4921,Cc1csc(N2CCN(CC3CCc4ccccc4N3)C2=O)n1,[*]N1CCN([*])C1=O,0.44774905,False
4922,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc2c(c1)Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91299623,False
4923,O=C1N(CCN2CCCCCC2)CCN1c1cc(F)cc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.8167457,False
4924,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.8972469,False
4925,CC1(C)CC2(C)CN(CCN3CCN(c4ccccc4Cl)C3=O)CC12,[*]N1CCN([*])C1=O,0.55813926,False
4926,CC1(C)CC2CCC(C)(CN2CCN2CCN(c3ccccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.4375732,False
4927,CC1(N2CCN(CCN3Cc4ccccc4NC3=O)C2=O)COc2ccccc21,[*]N1CCN([*])C1=O,0.43992037,False
4928,CC1CCC(N2CCN(c3cccc(Cl)n3)C2=O)CN1,[*]N1CCN([*])C1=O,0.34436512,False
4929,CN(C)Cc1cccc(N2CCN(Cc3cccc4ccccc34)C2=O)c1,[*]N1CCN([*])C1=O,0.44315964,False
4930,N#Cc1ccc(Cl)cc1N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.53019047,False
4931,O=C1N(c2ccccc2Cl)CCN1C1CCC2CCc3ccccc3C21,[*]N1CCN([*])C1=O,0.39691085,False
4932,CC(=O)n1nc(C)cc1N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.29478475,False
4933,CCN1CCN(c2ccc(C)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.28713962,False
4934,CN(Cc1ccccc1)CN1CCN(C2CCN(Cc3ccccc3)CC2)C1=O,[*]N1CCN([*])C1=O,0.7245806,False
4935,CN1CCN(c2cccc3ncsc23)C1=O,[*]N1CCN([*])C1=O,0.26945314,False
4936,COC(C)N1CCN(CN2CCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.31730232,False
4937,Cc1cc(N2CCN(c3ccc(F)cc3)C2=O)on1,[*]N1CCN([*])C1=O,0.15303038,False
4938,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccc2occc2c1,[*]N1CCN([*])C1=O,0.64801455,False
4939,O=C1N(CCN2CCc3ccccc3N2)CCN1c1sccc1-c1ccccc1,[*]N1CCN([*])C1=O,0.66317546,False
4940,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc2ccccc2o1,[*]N1CCN([*])C1=O,0.8320114,False
4941,CC(C)c1ccc(N2CCN(CCN3CCc4ccccc4N3)C2=O)cc1,[*]N1CCN([*])C1=O,0.5749165,False
4942,CC(c1cccs1)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8317734,False
4943,CC1Cc2ccccc2N1C(=O)CCN(Cc1ccccc1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.29562145,False
4944,CCN(CC1CCN(C(=O)OC(C)(C)C)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.1937673,False
4945,CN(CN1CCN(c2cccc(Cl)c2)C1=O)C1CC2CCC1(C)C2,[*]N1CCN([*])C1=O,0.553052,False
4946,CN(Cc1ccccc1)CN1CCN(c2ccc3c(c2)OCC(=O)N3)C1=O,[*]N1CCN([*])C1=O,0.39935037,False
4947,Cc1csc(N2CCN(CN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.4977315,False
4948,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccc(Cl)s1,[*]N1CCN([*])C1=O,0.585506,False
4949,O=C1N(CCOC2CCCC2)CCN1c1ccncn1,[*]N1CCN([*])C1=O,0.4018962,False
4950,CC(=O)CN(C(C)C)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2949786,False
4951,CCN1CCCC1CNC(=O)c1c(OC)ccc(CSC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.92670196,False
4952,CN1CCN(CCN2CCN(c3ccc(C#N)c(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7234955,False
4953,Cc1ccc(CN(C)CN2CCN(c3cc(Cl)ccc3F)C2=O)o1,[*]N1CCN([*])C1=O,0.21622321,False
4954,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1ccc(-c2cccc(F)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9049818,False
4955,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(-c2cccnc2)cc1,[*]N1CCN([*])C1=O,0.55483043,False
4956,CC1(C)C2CCC1CN(CCN1CCN(c3ccc(Cl)cc3)C1=O)C2,[*]N1CCN([*])C1=O,0.63269305,False
4957,CCCCN(CCC)C1COc2c(C=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6912773,False
4958,CCCN(CC1CCCC(C(=O)O)C1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42383704,False
4959,CCCN(CC1CCCC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6391203,False
4960,O=C1N(CC(=O)N2CCc3c(F)cccc32)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.12905647,False
4961,O=C1N(CCN2CC3Cc4ccccc4CC(C3)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.57450897,False
4962,O=C1N(CCN2CCC3Cc4ccccc4CC2C3)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.55988705,False
4963,CC(C)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8684332,False
4964,CCCN(CCCC(=O)N1C(=O)CC(C)(C)CC1C)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5116736,False
4965,CCN(C(C)C)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4334482,False
4966,CCN(C)C1COc2c(cccc2C(=O)Oc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.27342618,False
4967,CN(Cc1cccc(Cl)c1)CN1CCN(C2CCOC2)C1=O,[*]N1CCN([*])C1=O,0.37197232,False
4968,CN(Cc1cccs1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4742634,False
4969,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ncccc3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9006141,False
4970,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(O)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9871179,False
4971,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51572824,False
4972,O=C1N(C2CNCOC2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.23490322,False
4973,CCCN(CCC(=O)N1CCN(c2ccccc2)CC1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.20070966,False
4974,CCN(CC1CCCCC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5137735,False
4975,CCN(CCCN1CC(=O)C2(CCCC2)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48097306,False
4976,CN(Cc1ccccc1)CN1CCN(c2ccccc2CN2CCCCC2)C1=O,[*]N1CCN([*])C1=O,0.3715107,False
4977,COCC1C2CCC1CN(CN1CCN(c3ccccc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.4526741,False
4978,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(O)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7218903,False
4979,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.54704136,False
4980,CCN(C(C)C)C1COc2c(cccc2C(=O)c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.26030436,False
4981,COc1ccccc1N1CCN(CCOC2CCCC2)C1=O,[*]N1CCN([*])C1=O,0.44919586,False
4982,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc(O)c3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80439264,False
4983,N#Cc1cccc(N2CCN(CCN3CCc4ccccc4N3)C2=O)c1,[*]N1CCN([*])C1=O,0.71598285,False
4984,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96262014,True
4985,O=C1N(CC(=O)N2CCc3c(F)cccc32)CCN1c1ccccc1CN1CC1,[*]N1CCN([*])C1=O,0.42233524,False
4986,O=C1N(CCN2CCCCc3ccccc3C23CC3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.43467328,False
4987,O=C1N(CN2Cc3ccccc3C2)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.5708529,False
4988,CCCc1ccc(Br)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9312715,False
4989,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(F)n2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87232167,False
4990,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccccc1[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.7209103,False
4991,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc(-c2ccncc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68581444,False
4992,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.74525493,False
4993,O=C1N(CCN2CCCCC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.7487002,False
4994,O=C1N(c2ccc(Cl)cc2)CCN1C1CCC2Cc3ccccc3CCN2C1,[*]N1CCN([*])C1=O,0.43378705,False
4995,O=C1N(c2ccccc2)CCN1C1CCC2Cc3ccccc3CN2C1,[*]N1CCN([*])C1=O,0.3543828,False
4996,CC1Cc2ccccc2N1C(=O)CCN(Cc1ccc2c(c1)OCO2)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.26568854,False
4997,CCN1CCCCC(N2CCN(c3ccc(Cl)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.36857662,False
4998,COc1cccc2c1OCC(N(CC1CC1)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.26499707,False
4999,Cc1sc2ccccc2c1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.24915133,False
5000,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(F)cc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.791651,False
5001,O=C1N(CCOC2CCCC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.59073484,False
5002,CC(C)OC1CCN(CN2CCN(c3ccccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.526641,False
5003,CC(C)c1cccc(N2CCN(CN(C)Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.40206546,False
5004,CC(N1CCCCC1)N1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.12850511,False
5005,CCc1ccc(OC)c(C(=O)NCC2CCCN2C2CCCC2)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.2038386,False
5006,CCc1ccc([N+](=O)[O-])c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.68507785,False
5007,Cc1ccc(N2CCN(C3CCN(Cc4ccccc4)CC3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.6435758,False
5008,O=C1N(CC(=O)N2CCc3c(F)cccc32)CCN1CN1CCN(Cc2ccc(Cl)cc2)CC1,[*]N1CCN([*])C1=O,0.68715274,False
5009,CCCN(CC1CC1)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71945447,False
5010,CCN(CC1CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5826965,False
5011,CN1CCN(CCN2CCOCC2)C1=O,[*]N1CCN([*])C1=O,0.22953993,False
5012,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(CF)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8748889,False
5013,O=C(NCC=CCN1CCN(c2cccs2)CC1)c1ccc(Br)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43497038,False
5014,O=C1N(CC(=O)N2CCc3c(F)cccc32)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.19057457,False
5015,O=C1N(CN2CCCC(Oc3ccccc3)C2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.39065617,False
5016,O=C1N(Cc2ccccc2)CCN1CC1CCCCN1,[*]N1CCN([*])C1=O,0.46880198,False
5017,O=C1N(c2cccc(-c3cccs3)c2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.20854431,False
5018,CC(C)(C)c1cccc(N2CCN(CCN3CCc4ccccc4N3)C2=O)c1,[*]N1CCN([*])C1=O,0.693739,False
5019,COc1ccccc1N1CCN(CCN2CCc3ccsc3C2)C1=O,[*]N1CCN([*])C1=O,0.6041958,False
5020,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc(Br)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.925354,False
5021,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.98604757,True
5022,O=C1N(CC2CCCCC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.5133111,False
5023,O=C1N(CCCN2CCCCC2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.5178273,False
5024,O=C1N(CCN2CCN(C3CCCCC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7417246,False
5025,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.27448463,False
5026,CCN(C)CCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.61521405,False
5027,COc1ccccc1N1CCN(CC=CCNC(=O)CCc2ccc(-c3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6892526,False
5028,Cc1cc(CN2CCN(c3ccccc3CN3CCC3)C2=O)on1,[*]N1CCN([*])C1=O,0.335585,False
5029,O=C1N(CC(=O)N2CCc3c(F)cccc32)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.17389086,False
5030,O=C1N(c2cccc(CN3Cc4ccccc4C3)c2)CCN1C1CCN(Cc2ccccc2)CC1,[*]N1CCN([*])C1=O,0.73680097,False
5031,CCCCN(CC1CCC1)C1COc2c(cccc2C(=O)OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3294102,False
5032,CCN(C)CCN1CCN(CC(=O)c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.34262717,False
5033,CCN1CCCC1CNC(=O)c1c(F)ccc(Cl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8130137,False
5034,O=C1N(CCF)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.4799571,False
5035,O=C1N(CCN2CCCCC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.7149567,False
5036,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1cccs1,[*]N1CCN([*])C1=O,0.6882398,False
5037,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(-c2ccccc2)sn1,[*]N1CCN([*])C1=O,0.8164757,False
5038,O=C1N(COCC2CCCN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5849207,False
5039,O=C1N(c2cc(Cl)ccc2F)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.26233786,False
5040,CC(C)N1CCN(CCN2CCN(c3ccc(OC(F)(F)F)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.72943,False
5041,CC1(C)C2CCC1CC1C(C2)CN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6263803,False
5042,CN(Cc1ccccc1)CN1CCN(C2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.45284748,False
5043,CN1CCCCC1CN1CCN(c2cccc(CN3Cc4ccccc4C3)c2)C1=O,[*]N1CCN([*])C1=O,0.66931665,False
5044,Nc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93681496,True
5045,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.94706565,False
5046,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc(-c2ccsc2)cc1,[*]N1CCN([*])C1=O,0.71062523,False
5047,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.88153934,True
5048,CC(=O)n1cc(N2CCN(C3CCCCN3)C2=O)c2ccccc21,[*]N1CCN([*])C1=O,0.08389809,False
5049,CC(N1CCN(c2cccc(Cl)c2)C1=O)N1CC2(C)CC1CC(C)(C)C2,[*]N1CCN([*])C1=O,0.34598324,False
5050,CN1CCCCCC1CN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.38794062,False
5051,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7881435,False
5052,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc(F)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.814939,False
5053,O=C1N(CCN2C3CCCC2CCC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8318516,False
5054,CCN(C)C1COc2c(cccc2-c2ccc(S(=O)(=O)[O-])cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.38789654,False
5055,CN(CCO)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51963717,False
5056,COc1ccc2c(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9377624,False
5057,O=C1N(CCN2CCCc3ccccc32)CCN1Cc1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.35822052,False
5058,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccsc1-c1ccccc1,[*]N1CCN([*])C1=O,0.5765085,False
5059,O=C1N(c2ccc3c(c2)OCO3)CCN1C1CCCC(C(F)(F)F)C1,[*]N1CCN([*])C1=O,0.26059327,False
5060,CCN(CC)CCN1CCN(c2ccccc2OC)C1=O,[*]N1CCN([*])C1=O,0.47307697,False
5061,CCN1CCCCC1N1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.28305912,False
5062,CN1CCCN(CCN2CCN(c3cccc(-c4cccs4)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7994769,False
5063,CN1CCc2ccc(N3CCN(Cc4ccccc4)C3=O)cc2C1CF,[*]N1CCN([*])C1=O,0.49149132,False
5064,Cc1ccc(N2CCN(CCN3Cc4ccc(Cl)cc4C3)C2=O)o1,[*]N1CCN([*])C1=O,0.4739533,False
5065,Cc1cccc(N2CCN(C34CCC(C)(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.19958174,False
5066,O=C(Cc1ccc(OCCF)cc1)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60171413,False
5067,O=C1N(CCN2CC3CCC2COC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7560602,False
5068,O=C1N(CCN2Cc3ccccc3C2)CCN1c1nsc2ccccc12,[*]N1CCN([*])C1=O,0.7469669,False
5069,CC(C)N1CCCC(N2CCN(c3ccc4c(c3)OCO4)C2=O)C1,[*]N1CCN([*])C1=O,0.23714633,False
5070,CCCN(CCN1CCN(C(=O)c2ccc3[nH]ccc3c2)CC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.614688,False
5071,Cc1cccc(CN2CCN(c3cccc(CN4Cc5ccccc5C4)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.6642297,False
5072,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(-c2ncccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7931011,False
5073,O=C1N(CC(=O)N2CCc3ccccc32)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.16950774,False
5074,O=C1N(CCN2CCCc3ccccc32)CCN1c1cccc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.53901774,False
5075,O=C1N(Cc2ccccc2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.6280018,False
5076,CN1CCCCC1CN1CCN(c2cccc3cccnc23)C1=O,[*]N1CCN([*])C1=O,0.4331544,False
5077,Cc1cc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)ccn1,[*]N1CCN([*])C1=O,0.74294955,False
5078,Cc1cccc(N2CCN(CC3CCNCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.5540938,False
5079,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3Cl)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8330695,False
5080,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1ccc(Oc2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49777028,False
5081,O=C1N(C2Cc3ccccc3C2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.385113,False
5082,O=C1N(CC(=O)N2CCc3ccccc32)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.16006476,False
5083,O=C1N(CC2CCCN(Cc3ccco3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.53122205,False
5084,O=C1N(CCN2CC3CCC2Cc2sccc2C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.51363564,False
5085,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(O)c1,[*]N1CCN([*])C1=O,0.8262983,False
5086,CCCCN(CCC)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6016392,False
5087,CCN(CCCn1c(O)cc2ccccc21)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5003395,False
5088,CN(Cc1cc2ccccc2s1)CN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.38981247,False
5089,CN1CCN(CCN2CCN(c3ccsc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.76333183,False
5090,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2cc[nH]c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8086019,False
5091,O=C1N(CC2CCCCN2)CCN1c1ccccc1C(F)(F)F,[*]N1CCN([*])C1=O,0.42479914,False
5092,O=C1N(c2cccc(CN3Cc4ccccc4C3)c2)CCN1C1CCCN(Cc2ccc(F)cc2)C1,[*]N1CCN([*])C1=O,0.45741072,False
5093,CC12CCC(N3CCN(c4ccccc4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.21551216,False
5094,CCCN(CCCN(C)C)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5684636,False
5095,CCN1CCCC1CNC(=O)c1c(OC)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.93201107,False
5096,CN(C)c1ccccc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.77100533,False
5097,O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.6408268,False
5098,CCCN(CCCCN1C(=O)CC2(CCCC2)C1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6161969,False
5099,COc1ccc2cc(C(=O)NCC=CCN3CCN(CCF)CC3)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.25365868,False
5100,Cc1ccccc1N1CCN(CCOC2CCCC2)C1=O,[*]N1CCN([*])C1=O,0.3816852,False
5101,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(-c2ccccn2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93599486,False
5102,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1cccc(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8678641,False
5103,O=C1N(CC2CCCCN2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.4482789,False
5104,O=C1N(CC2COCCN2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.29412827,False
5105,CC1CCN(C(=O)CCN(C(C)C)C2COc3c(cccc3C(N)=O)C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.2577469,False
5106,CCCN(CCCN(C)C)C1COc2c(cccc2[N+](=O)[O-])C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48595244,False
5107,CN1CCCCC1N1CCN(C(=O)c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.22434212,False
5108,Cc1cc(N2CCN(CC3CCCCN3)C2=O)on1,[*]N1CCN([*])C1=O,0.32779187,False
5109,O=C1N(CC2NCCc3ccccc32)CCN1c1cccc2cccnc12,[*]N1CCN([*])C1=O,0.4017249,False
5110,O=C1N(Cc2cccc(Cl)c2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.61300147,False
5111,O=C1N(c2cccnc2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.32628843,False
5112,CN(C)CCN1CCN(c2cccc(CN3CCCC3)c2)C1=O,[*]N1CCN([*])C1=O,0.6204039,False
5113,CN(CN1CCN(c2ccc(F)cc2)C1=O)CC12CCC1CC2(C)C,[*]N1CCN([*])C1=O,0.5970188,False
5114,CN(Cc1cccc(Cl)c1)CN1CCN(C)C1=O,[*]N1CCN([*])C1=O,0.47470626,False
5115,COc1cccc2c1CCN(CN1CCN(c3ccc(Cl)cc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.47733545,False
5116,Cc1ccc(N2CCN(c3ccc(Cl)cc3)C2=O)o1,[*]N1CCN([*])C1=O,0.1365961,False
5117,Cc1cccc(N2CCN(CC3CCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.48036605,False
5118,Cc1csc(N2CCN(CCN3CCN(c4ccccc4)CC3)C2=O)n1,[*]N1CCN([*])C1=O,0.6914544,False
5119,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc2ccccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9766324,True
5120,O=C1N(CC2COCCN2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.27887276,False
5121,O=C1N(CN2CCCc3ccccc32)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.4199088,False
5122,CCCCN(CCC)C1COc2c(cccc2-c2ccc(OC(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6979004,False
5123,CCCN(CC1CCCC1)C1COc2c(cccc2-c2ccc(OC(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5899973,False
5124,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3cc(O)ccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96270907,False
5125,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(C)c(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8497043,False
5126,O=C1N(CC2CCCNC2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.40183985,False
5127,O=C1N(CCN2CC3CCC(C2)C3CF)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.5430285,False
5128,O=C1N(CCN2CCc3ccccc3C2)CCN1c1csc(-c2ccccc2)c1,[*]N1CCN([*])C1=O,0.6360314,False
5129,CCN1CCC(N2CCN(c3ccccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.49691397,False
5130,CCOC(=O)N(CCC(=O)N1CCCCC1)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.11705754,False
5131,CN(CCN1CCN(c2ccc3c(c2)OCO3)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.7568071,False
5132,CN(Cc1ccccc1)CN1CCN(c2ccccc2F)C1=O,[*]N1CCN([*])C1=O,0.3501157,False
5133,COc1cccc(CN2CCN(Cc3ccc(C)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.22555071,False
5134,Cc1ccc2cc(N3CCN(CCN4CCCc5ccccc54)C3=O)ccc2n1,[*]N1CCN([*])C1=O,0.3790237,False
5135,O=C1N(CC2CCCCN2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.50290024,False
5136,O=C1N(CC2CCCN2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.35243154,False
5137,O=C1N(Cc2cccc(Cl)c2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.2603429,False
5138,CC1CCN(C(=O)CCN(c2cccc3ccccc23)C2COc3c(F)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.23412268,False
5139,CCCN(CC(C)C)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57672197,False
5140,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccc[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9034063,False
5141,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88197756,False
5142,O=C1N(CCN2CCC3(CCCCC3)C2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.5452462,False
5143,O=C1N(CN2CCCCCC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.47453085,False
5144,O=C1N(CN2CCc3ccccc32)CCN1c1cccc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.41554284,False
5145,O=C1N(c2cc(Cl)ccc2F)CCN1C(F)(F)F,[*]N1CCN([*])C1=O,0.21763001,False
5146,CCCN(CC)C1COc2c(cccc2-c2ccc(C(C)=O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49017635,False
5147,CCCN(CCCN(C)C)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7142729,False
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5153,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(-c2cccs2)cc1,[*]N1CCN([*])C1=O,0.8686585,False
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5158,O=C1N(CCN2CCC3COCCC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.43262154,False
5159,O=C1N(CCN2CCCCCC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.7955524,True
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5164,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2CF)CC1)c1c[nH]c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5729184,False
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5166,O=C1N(CCN2CCc3ccccc3C2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.7346211,False
5167,O=C1Nc2ccccc2CN1CCN1CCN(c2ccccn2)C1=O,[*]N1CCN([*])C1=O,0.44539365,False
5168,O=CC(=O)NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82641435,False
5169,CC(C)N1CCN(CC2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.34095913,False
5170,CC1CCCCN1CCN1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.4646451,False
5171,CC1CCN(CCN2CCN(c3ccc(F)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.82604307,False
5172,CCN(CCC(=O)N1CCC(C)CC1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2499098,False
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5174,CN1CCN(CCN2CCN(c3cccc(Cl)c3)CC2)C1=O,[*]N1CCN([*])C1=O,0.8595058,False
5175,Cc1ccc(N2CCN(CC3COCCN3)C2=O)cc1,[*]N1CCN([*])C1=O,0.2503847,False
5176,O=C(NCC=CCN1CCN(c2cccc(F)c2F)CC1)c1c[nH]c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67674816,False
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5178,O=C1N(CCN2CCC3CCCC3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7216043,False
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5180,CC(C)c1cccc(N2CCN(C3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.24196784,False
5181,CN(C)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(F)c3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69690526,False
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5184,O=C1N(CCN2CC3CCCC(CC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.87153053,False
5185,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccccc1C(F)(F)F,[*]N1CCN([*])C1=O,0.52680093,False
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5189,CC1(C)CC2CN(CCN3CCN(c4ccccc4Cl)C3=O)C2(C)C1,[*]N1CCN([*])C1=O,0.40125296,False
5190,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1coc(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8079773,False
5191,O=C1N(Cc2cccc(F)c2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.40287477,False
5192,CC(=O)n1cccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.58774036,False
5193,CC12CCC(N(CCN3CCN(c4ccc(Cl)cc4)C3=O)C1)C(C)(C)C2,[*]N1CCN([*])C1=O,0.5780335,False
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5195,CCCN(C)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7148079,False
5196,N#Cc1cccc(CN2CCN(CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.63778484,False
5197,O=C1N(CCN2CC3Cc4ccccc4CC(C3)C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.6084977,False
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5200,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.81633085,False
5201,CC1(C)C2CCC1(N1CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1=O)CC2,[*]N1CCN([*])C1=O,0.7782218,False
5202,CC1(C)CC2CC(C)(C1)N2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7869096,False
5203,Cc1cc(CN2CCN(C(=O)N3CCc4ccccc43)C2=O)on1,[*]N1CCN([*])C1=O,0.12624228,False
5204,Cc1sccc1N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5036545,False
5205,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccc(O)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8773218,False
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5208,CC1(C)C2CCC1(CN1CCN(c3cccc(C(F)(F)F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.48855135,False
5209,CCCN(CC)C1COc2c(cccc2C(O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.61017424,False
5210,COc1ccccc1N1CCN(CC=CCNC(=O)CCOc2ccc(C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5919768,False
5211,Cc1cccc(N2CCN(C3CCN(CC4CCCCC4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.6279818,False
5212,Nc1cc(N2CCN(CCOC3CCCC3)C2=O)ccc1Cl,[*]N1CCN([*])C1=O,0.5688622,False
5213,O=C1N(Cc2cccc(Cl)c2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.33650678,False
5214,O=C1Nc2ccccc2CN1CCN1CCN(c2cccc3ccccc23)C1=O,[*]N1CCN([*])C1=O,0.5626124,False
5215,CC1(C)C2CCC1(N1CCN(c3cccc(CN4CCOC4)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.43127817,False
5216,CC1CCCCN1CCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.47957548,False
5217,CN(C)Cc1cccc(N2CCN(CCN3CCN(C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.7747117,False
5218,COCC1C2CCC1C(N1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.47726774,False
5219,COc1cccc2c1OCC(N(CC1CCCN1C)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6737481,False
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5223,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc2cc(Cl)sc2c1,[*]N1CCN([*])C1=O,0.36359313,False
5224,CC(C)C1CCN(CCN2CCN(c3ccc(F)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.842428,False
5225,CCN(C1CCC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49540958,False
5226,CCN1CCN(c2ccc3c(c2)OCO3)C1=O,[*]N1CCN([*])C1=O,0.32840797,False
5227,COc1ccc2c(c1)-c1ccc(cc1C(=O)NCC=CCN1CCN(c3ccccc3OC)CC1)CC2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8668808,False
5228,COc1ccccc1N1CCN(CCN2CCCc3sccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5695178,False
5229,Cc1c(Cl)cccc1N1CCN(CC=CCNC(=O)CNCc2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5408873,False
5230,O=C1N(CCN2CCCCCC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.8295203,False
5231,CCN(CN1CCN(c2ccc3c(c2)OCO3)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.46931773,False
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5235,O=C1N(CCN2CCCCCC2)CCN1c1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.8310059,False
5236,O=C1N(CCN2Cc3ccccc3C2)CCN1c1csc(-c2ccccc2)n1,[*]N1CCN([*])C1=O,0.79111725,False
5237,O=C1N(c2cccc(-c3ccccn3)c2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.23425128,False
5238,COC(C)N1CCN(C2CCC(Nc3ccccn3)CC2)C1=O,[*]N1CCN([*])C1=O,0.19261223,False
5239,COc1cc(Cl)ccc1N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.6873097,False
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5242,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc(C(F)(F)F)cc1,[*]N1CCN([*])C1=O,0.7195422,False
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5255,O=C1N(CC(F)F)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.26047063,False
5256,O=C1N(CCN2CCC3C4CNCCC342)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.39126715,False
5257,O=C1N(CCOC2CCCC2)CCN1c1cc(F)cc(F)c1,[*]N1CCN([*])C1=O,0.5487157,False
5258,CCCN(C(C)C)C1COc2c(cccc2-c2ccc(C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5270641,False
5259,CCN1CCCC1CNC(=O)c1c(SC)ccc(F)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.7745779,False
5260,CN(C)CCN1CCN(c2ccccc2N2CCOC2)C1=O,[*]N1CCN([*])C1=O,0.28822502,False
5261,CN(Cc1cc2ccccc2s1)CN1CCN(CCN2CCN(Cc3ccccc3)CC2)C1=O,[*]N1CCN([*])C1=O,0.63482225,False
5262,COc1ccccc1N1CCN(CCN2CCc3sccc3C2)C1=O,[*]N1CCN([*])C1=O,0.57929194,False
5263,O=C1N(CCN2CCN(c3ccccc3)CC2)CCN1Cc1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.8184011,False
5264,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc(-n2cccc2)c1,[*]N1CCN([*])C1=O,0.5699632,False
5265,COc1cccc2c1OCC(N(C)CC(=O)N1CCN(c3ccc(F)c(F)c3)CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.17587613,False
5266,Cc1cccc(N2CCN(CN3CCCC(Oc4ccccc4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.5048442,False
5267,Cc1nc(N2CCN(CCN3Cc4ccccc4C3)C2=O)sc1-c1ccccc1,[*]N1CCN([*])C1=O,0.7715298,False
5268,Cc1nc2ccc(N3CCN(CN4Cc5ccccc5C4)C3=O)cc2s1,[*]N1CCN([*])C1=O,0.38781053,False
5269,Nc1cccc(C(=O)NCC=CCN2CCN(c3cccc(F)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8798386,False
5270,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.977101,False
5271,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1ccc(Cl)s1,[*]N1CCN([*])C1=O,0.63102686,False
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5273,Cc1ccc(CN2CCN(CN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.50476754,False
5274,Cc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8659342,False
5275,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.9470661,True
5276,O=C1N(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CCN1c1cccc2cccnc12,[*]N1CCN([*])C1=O,0.5516493,False
5277,O=C1N(c2cccc(CN3Cc4ccccc4C3)c2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.5825391,False
5278,CC1(C)C2CCC1(N1CCN(c3cccc(C4CCCN4)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.29740086,False
5279,CC1(C)C2CCCC1(CN1CCN(c3ccc(Cl)cc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.37394252,False
5280,CC1CCC2(C)CC1N(CCN1CCN(c3ccccc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.42126054,False
5281,COc1ccccc1N1CCN(CCN2CCCN(C(C)C)C2)C1=O,[*]N1CCN([*])C1=O,0.58095574,False
5282,N#Cc1cc(N2CCN(C3CCCCN3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.2773634,False
5283,O=C(CCOc1ccccc1)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.53533554,False
5284,O=C1N(CCN2CCCCCC2)CCN1c1ccc(F)cc1F,[*]N1CCN([*])C1=O,0.62950075,False
5285,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(-c2ccccn2)c1,[*]N1CCN([*])C1=O,0.669757,False
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5287,CCCN(CCC1CCC(=O)C1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.69097906,False
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5296,O=C1N(CC2CCNCC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.4680413,False
5297,O=C1N(CCN2CCc3ccccc3N2)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.5843779,False
5298,O=C1N(CCOC2CCCCN2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.54313886,False
5299,CC1(C)C2CCC1CN(CCN1CCN(c3ccccc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.6024563,False
5300,CC1CCCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.82518536,False
5301,CCN1CCCCC1CN1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.37612557,False
5302,CN(Cc1cccc(Cl)c1)CN1CCN(C2CCOOC2)C1=O,[*]N1CCN([*])C1=O,0.39660683,False
5303,COc1cccc(N2CCN(C3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.2733481,False
5304,C[SH](O)(O)=Nc1cccc(N2CCN(CCOC3CCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.55324566,False
5305,Cc1ccc(-c2cccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8119472,False
5306,O=C1N(CC2CCCCN2)CCN1c1cccc(C(F)(F)F)n1,[*]N1CCN([*])C1=O,0.49562174,False
5307,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccc(Cl)cn1,[*]N1CCN([*])C1=O,0.5255453,False
5308,CC12CC3CCC1CC(C2)N(CCN1CCN(c2ccccc2Cl)C1=O)C3,[*]N1CCN([*])C1=O,0.41037887,False
5309,CC12CCC(CN(CCN3CCN(c4ccc5c(c4)OCO5)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.62187356,False
5310,CCOC1CCCN(CCN2CCN(c3cccc(Cl)c3F)C2=O)C1,[*]N1CCN([*])C1=O,0.6548738,False
5311,O=C(NCC=CCN1CCN(c2cccc(Cl)c2CF)CC1)c1cccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6708048,False
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5313,O=C1N(CN2Cc3ccccc3C2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.57710534,False
5314,O=C1N(c2cccc(Cl)c2)CCN1C1CCCC(c2ccno2)C1,[*]N1CCN([*])C1=O,0.34906596,False
5315,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccsc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87097704,False
5316,COc1ccc(C(=O)NCCC(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c(OCCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7559742,False
5317,Cc1cccc(N)c1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86477745,False
5318,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc(-c2ccccc2)cn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8276468,False
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5320,O=C1N(CCN2CCCCCC2)CCN1c1cccc2ncsc12,[*]N1CCN([*])C1=O,0.62401426,False
5321,O=C1N(CCN2CCCc3ccccc32)CCN1c1cccc2cccnc12,[*]N1CCN([*])C1=O,0.3804929,False
5322,O=C1N(CCN2CCOCC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.47126758,False
5323,CC(C)N1CCN(CN2CCN(c3ccc(F)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.37314653,False
5324,CC1(C)C2CC3CC(CN(CCN4CCN(c5ccccc5Cl)C4=O)C2)CC31C,[*]N1CCN([*])C1=O,0.6003476,False
5325,CC12CCCC3(CCC1CN(CCN1CCN(c4ccccc4Cl)C1=O)C3)C2(C)C,[*]N1CCN([*])C1=O,0.54344255,False
5326,CC1Cc2sccc2CN(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.79551774,False
5327,CCCN(C(C)C)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49398783,False
5328,CN1CCCCCC1CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.47442713,False
5329,CC1(C)CC2CCC1(CN1CCN(c3ccc(Cl)cc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.47136027,False
5330,CC12CCC(N3CCN(Cc4cccc(Cl)c4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.28540745,False
5331,CN(Cc1ccccc1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5024551,False
5332,CN(Cc1cccs1)CN1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.37102568,False
5333,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1ccc(-c2ncccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9080201,False
5334,O=C1N(CCc2cccc(Cl)c2)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.38610697,False
5335,CCCN(CCN1CCCC1)C1COc2c(cccc2Oc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7569935,False
5336,CN1CCN(CCN2CCN(c3ccccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.66440177,False
5337,COc1cccc(CN2CCN(CN3CCN(c4ccc(Cl)cc4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.47149682,False
5338,NC1(CN2CCN(c3ccc(F)cc3)C2=O)CCCCC1,[*]N1CCN([*])C1=O,0.31627724,False
5339,O=C1N(CC2CCCNCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6969987,False
5340,O=C1N(CCN2CC3CC2C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.4218023,False
5341,O=C1N(CCN2CCCCCC2)CCN1Cc1cccc(F)c1,[*]N1CCN([*])C1=O,0.66245735,False
5342,O=C1N(c2ccccc2Cl)CCN1C1CC2CCC(C1)N2Cc1ccccc1,[*]N1CCN([*])C1=O,0.29236817,False
5343,CC(C)N1CCN(CCN2CCN(c3cc(Cl)ccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.71068615,False
5344,CC(C)OC1CCN(CN2CCN(c3ccc(F)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.60211027,False
5345,CN1CCC(CN2CCN(c3cccc(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5968251,False
5346,CN1CCCCC1N1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.4068028,False
5347,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccncc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7412297,False
5348,O=C(NCC=CCN1CCN(Cc2cccc(Cl)c2Cl)CC1)c1cc2ccccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37666628,False
5349,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8072058,False
5350,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.60331917,False
5351,O=C1N(Cc2cccc(F)c2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.34759387,False
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5354,CCN(CC)CCN1CCN(c2cccc(OC)c2)C1=O,[*]N1CCN([*])C1=O,0.7046745,False
5355,CN1CCCCC(N2CCN(c3ccccn3)C2=O)C1,[*]N1CCN([*])C1=O,0.30972663,False
5356,Cc1cccc(N2CCN(CCN3CCC4(C)CC3C(C)(C)C4)C2=O)c1,[*]N1CCN([*])C1=O,0.6201845,False
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5358,O=C1N(Cc2cccc(Cl)c2)CCN1Cc1ccccc1Cl,[*]N1CCN([*])C1=O,0.30548814,False
5359,O=C1N(Cc2cccc(Cl)c2F)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.33593756,False
5360,CC1(C)CC2(C)CCC1N2CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.40609562,False
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5362,CN(Cc1cc2ccccc2s1)CN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.3441115,False
5363,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccsc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9757682,False
5364,O=C1N(CC2CCCN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.57526445,False
5365,O=C1N(CCN2CCN(Cc3ccccc3)CC2)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.62635773,False
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5367,CCN(CC1CC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62203825,False
5368,CCN(Cc1ccccc1)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4413902,False
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5370,Cc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1C,[*]N1CCN([*])C1=O,0.75513047,False
5371,O=C1N(CC(F)(F)F)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.30665478,False
5372,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(-c2ccncn2)cc1,[*]N1CCN([*])C1=O,0.51815253,False
5373,O=C1N(CN2Cc3ccccc3C2)CCN1c1cscc1-c1ccccn1,[*]N1CCN([*])C1=O,0.5724474,False
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5375,CN1CCCCCC1N1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.24752572,False
5376,COc1c[nH]c(C(=O)NCC=CCN2CCN(c3ccccc3F)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.54144424,False
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5380,O=C1N(CCN2CCCCCC2)CCN1c1cncc(F)c1,[*]N1CCN([*])C1=O,0.7738122,False
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5396,CC1(C)CN(CCN2CCN(c3ccccc3Cl)C2=O)C2CCC1C2(C)C,[*]N1CCN([*])C1=O,0.3981885,False
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5401,CC(CN1CCN(c2cc3ccccc3s2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.35323384,False
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5410,CN1CCCCC1N1CCN(c2cccc(Cl)n2)C1=O,[*]N1CCN([*])C1=O,0.31826627,False
5411,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87988573,False
5412,O=C1N(CCN2CCCc3ccsc3C2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.6655524,False
5413,O=C1N(CCN2CCN(c3ccc(Cl)cc3)CC2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.82796216,False
5414,O=C1N(CCN2CCOCC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.4292711,False
5415,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cc(F)c(Cl)cc1F,[*]N1CCN([*])C1=O,0.65034,False
5416,CC1(C)C2CCC1C(CN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.6050092,False
5417,CC12CCC(N3CCN(Cc4cc(Cl)c5ccccc5c4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.25146365,False
5418,CN(C)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.975596,False
5419,CN1CCN(CN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5392653,False
5420,COCCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.736462,False
5421,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(F)c1F,[*]N1CCN([*])C1=O,0.80152124,False
5422,O=C1N(c2ncccn2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.30216157,False
5423,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(N)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80618244,False
5424,COC(C)N1CCN(CN2CCN(c3cccc(Cl)c3)CC2)C1=O,[*]N1CCN([*])C1=O,0.44580948,False
5425,COc1cccc2c1OCC(N(CC1CC1)C1CCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.38641438,False
5426,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc[nH]c2-c2ccccn2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93615234,False
5427,Cc1c(Cl)cccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7425863,False
5428,O=C(c1ccccc1)c1cccc(N2CCN(C3CCCNC3)C2=O)c1,[*]N1CCN([*])C1=O,0.11291032,False
5429,O=C1N(CC2CNCCO2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.5638123,False
5430,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccc2c(c1)COO2,[*]N1CCN([*])C1=O,0.8574944,False
5431,CC(C)n1ccc(N2CCN(CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.5106944,False
5432,CC1CCN(C(=O)CN2CCN(c3ccccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.08819643,False
5433,CC1CCN(CCN2CCN(c3ccccc3Cl)C2=O)C(C)C1,[*]N1CCN([*])C1=O,0.4650765,False
5434,CCN(C(C)C)C1COc2c(cccc2OC(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.23597385,False
5435,CN(Cc1cc2ccccc2s1)CN1CCN(c2cccc(Cl)c2Cl)C1=O,[*]N1CCN([*])C1=O,0.36660528,False
5436,CNc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68023455,False
5437,COC(C)N1CCN(C(=O)NCc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.13471442,False
5438,COC(C)N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5591411,False
5439,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7547322,False
5440,CC1(C)C2CCC1(N1CCN(C3CCCN(Cc4ccccc4)C3)C1=O)CC2,[*]N1CCN([*])C1=O,0.41651314,False
5441,CC1CC2(CN3CCN(c4ccccc4F)C3=O)CCC1C2(C)C,[*]N1CCN([*])C1=O,0.3405012,False
5442,CCN(C)CCN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5054756,False
5443,CCN1CCCC1CNC(=O)c1c(C)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.92966026,False
5444,Cc1ccc(N2CCN(CCN3CCc4ccccc4N3)C2=O)cc1F,[*]N1CCN([*])C1=O,0.5849619,False
5445,Cc1ccccc1N1CCN(CCN2CCc3ccccc3N2)C1=O,[*]N1CCN([*])C1=O,0.43859354,False
5446,O=C1N(CCN2C3CCCC2CC3)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.40220103,False
5447,O=C1N(CCN2CC3CCCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.81729585,False
5448,CC12CCC(N3CCN(c4ccc(C(F)(F)F)cc4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.22447401,False
5449,CCN(CCC(N)=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.31363928,False
5450,COc1ccc(F)c(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.254893,False
5451,COc1cccc2c1OCC(N(CCCN1CCN(c3ccccc3)CC1)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.73316145,False
5452,Cc1nc2cccc(N3CCN(CCN4CCc5ccccc5N4)C3=O)c2s1,[*]N1CCN([*])C1=O,0.397785,False
5453,CCCN(CC1Cc2ccc(OC)cc2CCN1C(C)=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.38528126,False
5454,CCN(CC1CCC(NC(=O)N(C)C)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.30880037,False
5455,CN(C)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(F)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87375724,False
5456,Cc1cc(N2CCN(CCN3CCc4ccccc4N3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.58380634,False
5457,O=C1N(CCN2CCCCCC2)CCN1Cc1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.68482304,False
5458,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc2ncsc2c1,[*]N1CCN([*])C1=O,0.5205111,False
5459,O=C1N(CNCC2CCCC2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.2188486,False
5460,CC(C)N(CC1CCCO1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40321848,False
5461,CCCN(CCC(=O)N1CCC(C)CC1)C1COc2c(Cl)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.38431925,False
5462,CCN(C)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5460471,False
5463,COC(C)N1CCN(CC(=O)Nc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.06725323,False
5464,Cc1ccc(N2CCN(CCN3CCN(c4cccc(Cl)c4)CC3)C2=O)cc1C,[*]N1CCN([*])C1=O,0.7943262,False
5465,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc(-c2ccccc2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8388282,False
5466,O=C1N(CC2CCNCC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.50287646,False
5467,O=C1N(CCN2Cc3ccccc3C2)CCN1c1sccc1-c1cccnc1,[*]N1CCN([*])C1=O,0.7678076,False
5468,O=C1N(c2cccc(Cl)c2F)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.24322414,False
5469,CCCN(Cc1ccco1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46192405,False
5470,CCN1CCC(N2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.51768434,False
5471,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8096227,False
5472,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92339474,False
5473,O=C1N(CC2CCCCN2)CCN1C(=O)n1cccc1,[*]N1CCN([*])C1=O,0.24013542,False
5474,O=C1N(CCN2CCCCCC2)CCN1c1ccc(C(F)(F)F)cc1Cl,[*]N1CCN([*])C1=O,0.6678395,False
5475,O=C1N(CN2CCCC(Oc3ccccc3)C2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.49966452,False
5476,O=C1N(c2ccc(Cl)c(Cl)c2)CCN1C1CCCc2ccccc21,[*]N1CCN([*])C1=O,0.42140198,False
5477,CC(=O)n1ccc(N2CCN(CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.35166958,False
5478,CC1(C)CN2CC(C)(CN3CCN(c4ccc5c(c4)OCO5)C3=O)CC2(C)C1,[*]N1CCN([*])C1=O,0.32057714,False
5479,CC12CCC(C1)N(CCN1CCN(c3ccccc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.43732268,False
5480,CC1CCN(C(=O)CN2CCN(c3ccc(F)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.13350195,False
5481,CCN(CCC(=O)N1c2ccccc2CC1C)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.31065288,False
5482,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.78991854,False
5483,CC1CCCCN1CCN1CCN(c2ccc(Cl)cc2Cl)C1=O,[*]N1CCN([*])C1=O,0.33608478,False
5484,CCCN(CCNC(C)=O)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5969339,False
5485,COc1cccc(CCN2CCN(c3cccc(CN4Cc5ccccc5C4)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.74092853,False
5486,Cc1cc(N2CCN(CN3CCc4ccccc43)C2=O)on1,[*]N1CCN([*])C1=O,0.2944001,False
5487,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cccc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7826428,False
5488,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8884743,False
5489,O=C1N(CC(F)(F)F)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.34385267,False
5490,O=C1N(CCN2CCC(CF)CC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.8477685,False
5491,CCc1ccc(Cl)c(C(=O)NCC2CCCN2C2CCCC2)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.23767447,False
5492,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(N)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72596323,False
5493,COc1ccccc1N1CCN(CC=CCNC(=O)CNCc2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71383286,False
5494,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9067592,False
5495,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1ccccc1-c1cccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8256917,False
5496,O=C1N(CC(F)(F)F)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.3300835,False
5497,O=C1N(CCN2CC3CCCOC3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7116313,False
5498,CC1CCCCN1CCN1CCN(c2cccc(CN3Cc4ccccc4C3)c2)C1=O,[*]N1CCN([*])C1=O,0.7212033,False
5499,CCCN(C)C1COc2c(cccc2-c2ccc(C(C)=O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47024557,False
5500,CCN(CC)C1COc2c(cccc2C(=O)OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.28354108,False
5501,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(F)c(N)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8567036,False
5502,O=C1N(CCN2CCOCC2)CCN1C1CCOC1,[*]N1CCN([*])C1=O,0.32668123,False
5503,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.75743866,False
5504,O=C1N(CN2CCN(Cc3ccccc3)CC2)CCN1c1cccc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.5937328,False
5505,CC1(C)C2CCC1(N1CCN(c3ccc(CN4CCCC4)cc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.41721028,False
5506,CCN(C)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.61614066,False
5507,CCN(CN1CCN(c2ccccc2Cl)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.3700379,False
5508,CNc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6329083,False
5509,COCC1C2CCC1CN(CCN1CCN(c3ccccc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.6071979,False
5510,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cc1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78205264,False
5511,COc1cccc(NC(=O)C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5977822,False
5512,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc(Cl)nc1,[*]N1CCN([*])C1=O,0.7040091,False
5513,CCCN(CCC)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7481431,False
5514,CCOc1ccc(O)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9002303,False
5515,COc1cccc(N2CCN(CCN(C)CC34CCCC3CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.6887662,False
5516,Cc1csc(N2CCN(CCN3CCCc4ccccc4C3)C2=O)n1,[*]N1CCN([*])C1=O,0.6407288,False
5517,O=C1N(CCN2CCc3ccccc32)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.51047605,False
5518,O=C1N(CCOC2CCCC2)CCN1c1ncccn1,[*]N1CCN([*])C1=O,0.4962481,False
5519,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.59071326,False
5520,O=C1N(CNCC2CCCC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.23592632,False
5521,CCN1CCCC1CNC(=O)c1c(OC)ccc(Cc2ccccc2)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.80416006,False
5522,CCN1CCN(Cc2ccc(Cl)cc2)C1N1CCN(C23CCC(CC2)C3(C)C)C1=O,[*]N1CCN([*])C1=O,0.2935258,False
5523,O=C(NCC=CCN1CCN(c2ccccc2CCl)CC1)c1cccc(O)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9039383,False
5524,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(N2CCOCC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.64588517,False
5525,O=C1N(CC2CCCCN2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.4971036,False
5526,O=C1Nc2ccccc2CN1CCN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.5783451,False
5527,CC1(C)CCN2CC(C1)C2CN1CCN(c2ccc3c(c2)OCO3)C1=O,[*]N1CCN([*])C1=O,0.27775723,False
5528,CCN(CCN1CCN(c2cccc(Cl)c2)C1=O)C1CCCCC1,[*]N1CCN([*])C1=O,0.75202215,False
5529,CN(C)CCN1CCN(c2cccs2)C1=O,[*]N1CCN([*])C1=O,0.32270333,False
5530,COc1cc(F)ccc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75114596,False
5531,Cc1csc(-c2cc(N3CCN(CCN4Cc5ccccc5C4)C3=O)cs2)n1,[*]N1CCN([*])C1=O,0.75932866,False
5532,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ncccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80463934,False
5533,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc2ccccc12,[*]N1CCN([*])C1=O,0.82968056,False
5534,O=C1N(CN2CCc3ccccc3C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.55160105,False
5535,O=C1N(COC2CCNC2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.33163497,False
5536,CC(C)(C)c1nc2cc(N3CCN(CCN4Cc5ccccc5C4)C3=O)ccc2s1,[*]N1CCN([*])C1=O,0.7937587,False
5537,CC(C)c1cccc(N2CCN(CCN3CCc4ccccc4N3)C2=O)c1,[*]N1CCN([*])C1=O,0.644891,False
5538,CC1(C)CC2CCCC(C1)N2CCN1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.4704939,False
5539,COc1c[nH]c(C(=O)NCC=CCN2CCN(c3cccc(F)c3F)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6744592,False
5540,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3cccc(OC)c3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8588822,False
5541,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccsc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87853795,False
5542,CC(=O)NCCCN(C(C)=O)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.26677406,False
5543,CCCN(CCC(=O)N1CCC2(CCCC2)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39487937,False
5544,CCN(CC)C1COc2c(cccc2C2CCC2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6301198,False
5545,CN1CCCC(N2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.42403132,False
5546,CN1CCN(CCN2CCc3ccccc3N2)C1=O,[*]N1CCN([*])C1=O,0.61679786,False
5547,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3C)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6412538,False
5548,N#Cc1cc(N2CCN(CC3CCCCN3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.4984501,False
5549,O=C1N(CCN2CCOCC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.3029993,False
5550,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cscc1Cl,[*]N1CCN([*])C1=O,0.89709324,False
5551,CC(CN1CCN(c2cccc(Cl)c2)C1=O)N1CC2CC3CCC(C21)C3(C)C,[*]N1CCN([*])C1=O,0.4982781,False
5552,CCCN(C(C)C)C1COc2c(cccc2C(F)(F)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6868632,False
5553,CN(Cc1ccccc1)CN1CCN(Cc2ccc3c(c2)OCO3)C1=O,[*]N1CCN([*])C1=O,0.30699834,False
5554,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cccc2c1-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7688392,False
5555,O=C1N(CCN2CCCCCC2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.72222,False
5556,O=C1N(CCN2CCc3ccccc3C2)CCN1c1csc2ccccc12,[*]N1CCN([*])C1=O,0.68833625,False
5557,CC(N1CCC(C(F)(F)F)CC1)N1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.22779204,False
5558,CC1(C)C2CCC1CN(CCN1CCN(c3cccc(C(F)(F)F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.784657,False
5559,CCN1CCN(CCN2CCCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.47981015,False
5560,CN(Cc1cccc(Cl)c1)CN1CCN(CCN2CCCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.6688324,False
5561,COc1c(C(=O)NCCN2CCN(c3ccccc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.93444985,True
5562,N#Cc1ccccc1N1CCN(CCN2CCc3ccccc3N2)C1=O,[*]N1CCN([*])C1=O,0.5003909,False
5563,O=C1N(CCOC2CCCC2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.66347593,False
5564,CCCCN(CCC)C1COc2c(cccc2-c2ccc(Oc3ccccc3)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.70691013,False
5565,CCCN(CC)C1COc2c(cccc2C(F)(F)c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7178574,False
5566,COC(C)N1CCN(c2cccc(CN3CCCC3)c2)C1=O,[*]N1CCN([*])C1=O,0.28749016,False
5567,COCCN(C(C)C)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49127704,False
5568,O=C1N(CN2CCCCCC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.35428733,False
5569,O=C1N(Cc2cccc(C(F)(F)F)c2)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.3767341,False
5570,O=C1N(c2cc(Cl)ccc2F)CCN1C1CCCc2ccccc21,[*]N1CCN([*])C1=O,0.43442002,False
5571,O=C1N(c2cccc(CN3Cc4ccccc4C3)c2)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.4569353,False
5572,COCC1CCCN1CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5880866,False
5573,COCC1CCCN1N1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.3899881,False
5574,Cc1cncc(N2CCN(CCN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.71371126,False
5575,N#Cc1ccccc1N1CCN(CCN2CCN(c3cccc(Cl)c3)CC2)C1=O,[*]N1CCN([*])C1=O,0.7804432,False
5576,O=C1N(CCN2C3CCCCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.82071507,False
5577,O=C1N(CCN2CCCc3ccccc32)CCN1Cc1ccccc1Cl,[*]N1CCN([*])C1=O,0.37716475,False
5578,O=C1N(CCN2CCc3c(Cl)cccc32)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.64149535,False
5579,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(-n2cccc2)c1,[*]N1CCN([*])C1=O,0.7719007,False
5580,CC(C)N1CCN(C(C)N2CCN(c3cc(Cl)ccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.20899662,False
5581,CCN(CC)C1COc2c(cccc2C(=O)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.317822,False
5582,CN(CN1CCN(c2ccccc2Cl)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.4419046,False
5583,O=C1N(CCN2CCC3Cc4ccccc4CC32)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6791241,False
5584,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.9100854,True
5585,O=C1N(Cc2ccccc2)CCN1N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.37031132,False
5586,CCCN(C(C)C)C1COc2c(cccc2OC(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39835396,False
5587,CN(C)CCN1CCN(c2cccc3ccc(F)cc23)C1=O,[*]N1CCN([*])C1=O,0.45291895,False
5588,Cc1cc(N2CCN(CCN3Cc4ccccc43)C2=O)on1,[*]N1CCN([*])C1=O,0.46955976,False
5589,O=C1N(CCN2CCCC3(CCCC3)C2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.56992066,False
5590,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1cc(Cl)cs1,[*]N1CCN([*])C1=O,0.76569396,False
5591,O=C1N(CCOC2CCCC2)CCN1c1cccc(F)c1Cl,[*]N1CCN([*])C1=O,0.523532,False
5592,O=C1N(CN2CCC(COC3CCCC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.62186104,False
5593,O=C1N(Cc2ccc3ccsc3c2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.44211146,False
5594,CCCN(CC1CCN(C(=O)c2c[nH]c3ccccc23)CC1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3201908,False
5595,COc1ccc(CC(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7797231,False
5596,COc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.8769523,False
5597,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(-c2ccc(O)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8104662,False
5598,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cncc(-c2ccccc2)c1,[*]N1CCN([*])C1=O,0.6985203,False
5599,CC1(C)C2CCC1(N1CCN(Cc3ccc(F)cc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.36304182,False
5600,O=C1N(CCN2CC3CCC(CC3)C2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.5968215,False
5601,O=C1N(CCN2CCCC(C(F)(F)F)C2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.7860522,False
5602,O=C1N(CCN2CCCCCC2)CCN1c1ccc(-c2ccccn2)cc1,[*]N1CCN([*])C1=O,0.6685025,False
5603,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.6244801,False
5604,O=C1N(COCC2CCCC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.32362366,False
5605,O=C1N(c2cccc(-c3cccs3)c2)CCN1C1CCN(Cc2ccccc2)CC1,[*]N1CCN([*])C1=O,0.68632275,False
5606,O=C1Nc2ccccc2CN1CCN1CCN(c2ccc(CN3CCOCC3)cc2)C1=O,[*]N1CCN([*])C1=O,0.4211385,False
5607,CCCN(CC1CC1)C1COc2c(cccc2C(=O)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4773492,False
5608,CN(Cc1cccc(Cl)c1)CN1CCN(c2ccc3c(c2)OCO3)C1=O,[*]N1CCN([*])C1=O,0.3471275,False
5609,Cc1cccc(N2CCN(CCN3CC4CC3CCC4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.54636955,False
5610,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1cccc([N+](=O)[O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7616013,False
5611,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)NC(=O)c1ccccc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7267398,False
5612,O=C1N(CCN2CCCCC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.7075095,False
5613,CC1CCC(CN2CCN(c3cccc(Cl)c3)C2=O)CN1,[*]N1CCN([*])C1=O,0.6471963,False
5614,CCN(C1CCCC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46992677,False
5615,COc1cccc2c1OCC(N(CCN1CCN(c3ccc(F)cc3)CC1)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6584907,False
5616,Cc1cccc(N2CCN(CC(=O)N3CCc4c(F)cccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.1574767,False
5617,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1cccc(Oc2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8707817,False
5618,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccncc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85594654,False
5619,O=C1N(c2cccc(F)c2Cl)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.24141864,False
5620,CC(C)N1CCN(CCN2CCN(c3cc(F)cc(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.76885855,False
5621,CC12Cc3ccccc3C(CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1)C(C)(C)C2,[*]N1CCN([*])C1=O,0.73522437,False
5622,CCN1CCN(c2cccc(CN3Cc4ccccc4C3)c2)C1=O,[*]N1CCN([*])C1=O,0.6438933,False
5623,CN(CC1CCCCC1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.556155,False
5624,Cc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2ccccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.56481117,False
5625,Cc1cccc(N2CCN(CN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.43536648,False
5626,Cc1ccccc1N1CCN(CCN2Cc3ccccc3NC2=O)C1=O,[*]N1CCN([*])C1=O,0.47039947,False
5627,O=C1N(CCN2CCCCCC2)CCN1c1cccc(S(=O)(=O)O)c1,[*]N1CCN([*])C1=O,0.6704342,False
5628,CC(C)N1CCN(CCN2CCN(c3ccccc3C#N)C2=O)CC1,[*]N1CCN([*])C1=O,0.73862267,False
5629,CC12CCC(N3CCN(c4cc(Cl)cc5c4OCN5)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.20379443,False
5630,COc1cccc2c1OCC(N(CCN1CCN(c3ccc(Cl)cc3)CC1)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.66276324,False
5631,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccs3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9628462,False
5632,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c[nH]c2ccc(O)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91133374,False
5633,O=C1N(CN2Cc3ccccc3C2)CCN1c1sccc1-c1ccccc1,[*]N1CCN([*])C1=O,0.5955003,False
5634,CC1C2Cc3ccccc3CC1N(CCN1CCN(c3ccccc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.47218114,False
5635,CCN(CCC(=O)N1CCC2(CCCC2)CC1=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.31837195,False
5636,CN1CCCCCC1N1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.32624573,False
5637,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1cccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8538021,False
5638,O=C1N(CCN2CCC(c3ccccc3)CC2)CCN1c1cccc2cccnc12,[*]N1CCN([*])C1=O,0.74051046,False
5639,O=C1N(CCN2CCCc3ccccc32)CCN1c1nc2ccccc2s1,[*]N1CCN([*])C1=O,0.36944398,False
5640,O=C1N(c2ccc(Cl)cc2)CCN1C1CCCCC1,[*]N1CCN([*])C1=O,0.24673094,False
5641,COC(=O)c1cccc(N2CCN(CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.38997176,False
5642,COc1c(C(=O)NCCN2CCN(c3ccccc3C#N)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8714483,False
5643,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7297952,False
5644,COc1cccc(N2CCN(CC=CCNC(=O)c3ccc(-c4cccc(O)c4)cc3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37167358,False
5645,COc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78295773,False
5646,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9756924,False
5647,O=C1N(Cc2ccccc2)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.39012384,False
5648,CCCN(C)C1COc2c(cccc2C(=O)c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4735442,False
5649,CCN(C(C)C)C1COc2c(cccc2-c2ccc([N+](=O)[O-])cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.32815045,False
5650,CN(CCN1CCN(c2ccccc2Cl)C1=O)CC1(C)C2CCC(C2)C2CCCCN21,[*]N1CCN([*])C1=O,0.44840506,False
5651,Nc1cc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83049417,False
5652,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(-c2ccn[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78118557,False
5653,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cc(F)c(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.61716217,False
5654,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.5984865,False
5655,CC(C)N1CCN(CCN2CCN(Cc3cccc(Cl)c3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.66887724,False
5656,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4ccccn4)CC3)oc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3682275,False
5657,Cc1cc(CN2CCN(c3cccc4c3CCO4)C2=O)on1,[*]N1CCN([*])C1=O,0.17316532,False
5658,Cc1csc(N2CCN(Cc3ccccc3)C2=O)n1,[*]N1CCN([*])C1=O,0.20577489,False
5659,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc(F)ccc1F,[*]N1CCN([*])C1=O,0.8541834,False
5660,CC(CN1CCN(CN2Cc3ccccc3C2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.48203868,False
5661,CCCN(CC)C1COc2c(cccc2C(=O)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5201743,False
5662,CCCN(CC1CCC(=O)C1)C1COc2c(C=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5678666,False
5663,CN1CCCCCC1CN1CCN(c2ccccc2F)C1=O,[*]N1CCN([*])C1=O,0.41823092,False
5664,COc1ccccc1N1CCN(CC=CCNC(=O)c2[nH]cc3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8987642,False
5665,O=C1N(CCN2CC3CCCC(C3)C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.7279163,False
5666,O=C1N(CNC2CCCC(C(F)(F)F)C2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.33207265,False
5667,CC(=O)n1ccc2ccc(N3CCN(CCN4Cc5ccccc5NC4=O)C3=O)cc21,[*]N1CCN([*])C1=O,0.4131669,False
5668,CC1(C)CC2CN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC1(C)C2,[*]N1CCN([*])C1=O,0.82280666,False
5669,O=C1N(CCN2CC3CCC(CC3)C2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.59748125,False
5670,O=C1N(CCN2CCN(CC(F)(F)F)CC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.71628135,False
5671,O=C1N(CCN2CCc3c(Cl)cccc32)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.435556,False
5672,O=C1N(CNC2CCCCC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.26448724,False
5673,O=Cc1cccc(N2CCN(CC3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.6323431,False
5674,CC1(C)C2CCC1(N1CCN(CCN3C(=O)Cc4ccccc43)C1=O)CC2,[*]N1CCN([*])C1=O,0.50828415,False
5675,CC1(C)C2CCC1(N1CCN(c3cccc(C#N)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.44083497,False
5676,CN1CCN(CCN2CCN(c3cccc(OC(C)(C)C)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7914405,False
5677,Cc1cccc(N2CCN(CC=CCNC(=O)c3cnc4ccccc4n3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82296664,False
5678,O=C1N(CCN2CCC3CC(C2)C3c2ccccc2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.64652956,False
5679,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.45802164,False
5680,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc2cccnc2o1,[*]N1CCN([*])C1=O,0.7539701,False
5681,O=C1N(CNCC2CCCCC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.22343309,False
5682,CC12CCC(N3CCN(CC4COc5ccccc54)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.40475586,False
5683,CCN(C)CCN1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.76440156,False
5684,Cc1csc(N2CCN(Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.31513435,False
5685,O=C(Cc1cc2ccccc2[nH]1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7796296,False
5686,O=C1N(CCN2CCCCCC2)CCN1c1cccc2cccnc12,[*]N1CCN([*])C1=O,0.6906107,False
5687,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.4968514,False
5688,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.65556407,False
5689,C#CN1CCN(CCN2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.6743009,False
5690,CCN(C(C)C)C1COc2c(cccc2-c2ccc(C([O-])(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3236035,False
5691,Nc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9225523,False
5692,O=C1N(CCN2CC3CCC2Cc2ccccc2C3)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.6981298,False
5693,O=C1N(CCN2CCc3ccccc32)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.47857758,False
5694,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.7213776,False
5695,O=C1N(c2ccc(Cl)cc2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.57047266,False
5696,CC12CCC(N3CCN(C4CON(Cc5ccccc5)C4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.35093966,False
5697,CCN(C)CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.50550723,False
5698,CCN1CCN(c2cc(Cl)ccc2F)C1=O,[*]N1CCN([*])C1=O,0.26813263,False
5699,CN1CCN(CCN2CCN(c3cccc(-c4cccs4)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8122421,False
5700,COc1cccc2c1OCC(N(C)CC1CCC(NC(=O)N(C)C)CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.2902442,False
5701,COc1ccccc1N1CCN(CCN2CCCC(C)CC2)C1=O,[*]N1CCN([*])C1=O,0.74864423,False
5702,N#Cc1cc(N2CCN(CCN3CCCCCC3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.85102373,False
5703,O=C1N(c2ccccc2F)CCN1C1CCCNCC1,[*]N1CCN([*])C1=O,0.23701026,False
5704,CC(=O)NCCN(CC1CC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37002793,False
5705,CN1C2CCC1CC(N1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.5065847,False
5706,COc1ccccc1CN1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.6795722,False
5707,Cc1ccc(N2CCN(CN3CCc4ccccc43)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.3341338,False
5708,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1c(O)ccc(Cl)c1F,[*]N1CCN([*])C1=O,0.7044238,False
5709,O=C1N(CCN2CCC3CCCCC32)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.3242771,False
5710,O=C1N(CCN2CCOCC2)CCN1c1cnccc1-c1ccccc1,[*]N1CCN([*])C1=O,0.29193196,False
5711,O=C1N(CCN2CCc3ccccc3N2)CCN1Cc1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.5459467,False
5712,O=C1N(Cc2ccccc2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.40159154,False
5713,CC1(C)C2CCC1(N1CCN(c3ccc4c(c3)OCO4)C1=O)CC2,[*]N1CCN([*])C1=O,0.3060672,False
5714,CC1CCN(CCN2CCN(c3ccccc3Cl)C2=O)CO1,[*]N1CCN([*])C1=O,0.6277742,False
5715,CCN(CCCN1C(=O)CN(c2ccccc2)C1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46962714,False
5716,COc1cccc2c1OCC(N(CC1CC1)C1CCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.39873928,False
5717,N#Cc1cccc(CN2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7376317,False
5718,O=C(CCN(Cc1ccccc1)C1COc2c(Br)cccc2C1)N1CCCCC1,[*]CN([*])C1COc2c([*])cccc2C1,0.18192674,False
5719,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)n1,[*]N1CCN([*])C1=O,0.8164055,False
5720,CC(C)Oc1cccc(N2CCN(CCN3Cc4ccccc4NC3=O)C2=O)c1,[*]N1CCN([*])C1=O,0.61846876,False
5721,CC1(C)C2CCC1(N1CCN(CN3CCN(c4cccc(Cl)c4)C3=O)C1=O)CC2,[*]N1CCN([*])C1=O,0.57238966,False
5722,CN1CCCN(CCN2CCN(c3ccc(F)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.80756986,False
5723,O=C(CCOc1ccccc1)NCC=CCN1CCN(c2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38504162,False
5724,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cc2ccccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74997073,False
5725,O=C1N(c2ccc(C(F)(F)F)cc2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.26581052,False
5726,CC12CCC(N3CCN(CN4CCN(Cc5cccc(Cl)c5)CC4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.4902415,False
5727,CNc1cccc(C(=O)NCC=CCN2CCN(c3ccccn3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.39353636,False
5728,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(C)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9409199,False
5729,COc1ccccc1N1CCN(CN2CCN(c3cccc(Cl)c3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.5728274,False
5730,O=C1N(CCN2CCOCC2)CCN1c1cccc(-c2ccccn2)c1,[*]N1CCN([*])C1=O,0.350706,False
5731,O=C1N(c2cccc(Cl)c2)CCN1C1C2CC3C2C1CN1CCCC31,[*]N1CCN([*])C1=O,0.3850314,False
5732,O=C1Nc2ccccc2CN1CCN1CCN(c2cccc3ccsc23)C1=O,[*]N1CCN([*])C1=O,0.43946633,False
5733,CC(C)Oc1ccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.70463467,False
5734,CCCN(CCCN1CCN(c2cccc(Cl)c2)C1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7665117,False
5735,CCOc1ccc(SC)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8269211,False
5736,COc1cccc(N2CCN(CCN(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.65201646,False
5737,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cscc1-c1ccccc1,[*]N1CCN([*])C1=O,0.8113449,False
5738,CC12CCC(N(CCN3CCN(c4cccc(Cl)c4)C3=O)CC1)C2(C)C,[*]N1CCN([*])C1=O,0.79343706,False
5739,Cc1ccc(N2CCN(Cc3cc(C)no3)C2=O)cc1,[*]N1CCN([*])C1=O,0.15945543,False
5740,O=C1N(CC2CCCCN2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.38750646,False
5741,O=C1N(CCN2Cc3ccccc3C2)CCN1C1CC1Oc1ccccc1,[*]N1CCN([*])C1=O,0.8079823,False
5742,O=C1N(Cc2csc3ccccc23)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.46411648,False
5743,CCCN(C(C)C)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6429268,False
5744,CN(C)CCN1CCN(c2cccc3sccc23)C1=O,[*]N1CCN([*])C1=O,0.4722225,False
5745,CN(C)Cc1cccc(N2CCN(CCN(C)CC34CCC(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.72883743,False
5746,CN1CCCC(N2CCN(c3ccccc3F)C2=O)C1,[*]N1CCN([*])C1=O,0.3313398,False
5747,COc1c(C(=O)NCCN2CCN(c3cccc(Cl)c3Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.9469107,False
5748,COc1cc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)ccc1Br,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9222823,False
5749,COc1cccc(NC(=O)C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6231714,False
5750,COc1ccccc1N1CCN(CCN2CCCC(C(F)(F)F)C2)C1=O,[*]N1CCN([*])C1=O,0.638011,False
5751,Cc1ccc2sc(N3CCN(CCN4CCc5ccccc5C4)C3=O)cc2c1,[*]N1CCN([*])C1=O,0.65858847,False
5752,NC(=O)c1cccc(N2CCN(C3CCCNC3)C2=O)c1,[*]N1CCN([*])C1=O,0.121372,False
5753,O=C1N(CCN2CCc3ccccc3C2)CCN1c1c(Cl)cccc1Cl,[*]N1CCN([*])C1=O,0.75910366,False
5754,O=C1N(c2cccnc2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.25319812,False
5755,O=C1Nc2ccccc2CN1CCN1CCN(c2cccc(C(F)(F)F)n2)C1=O,[*]N1CCN([*])C1=O,0.4239052,False
5756,CC1(CN2CCN(c3ccccc3Cl)C2=O)CC2CCN1Cc1ccccc1C2,[*]N1CCN([*])C1=O,0.40664765,False
5757,CCCN(C(C)C)C1COc2c(cccc2C(N)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46257374,False
5758,CNc1ccc(C(=O)NCC=CCN2CCN(c3cccc(C)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6915159,False
5759,COCCN1CCN(c2ccccn2)C1=O,[*]N1CCN([*])C1=O,0.35793054,False
5760,COc1ccccc1N1CCN(CCN2CCC(C(C)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.75904214,False
5761,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.7324841,False
5762,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cccc2ccccc12,[*]N1CCN([*])C1=O,0.5670498,False
5763,O=C1N(c2cccc(CN3CCCCC3)c2)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.32401818,False
5764,CC1(C)CCN(CCN2CCN(c3cccc(Cl)c3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.7014384,False
5765,CC12CCC(CC1)CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.8904022,False
5766,CN(CCN1CCN(Cc2ccccc2Cl)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.44913688,False
5767,COCC1CCCCN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7650188,False
5768,O=C1N(CCN2C3CCC2Cc2ccccc2C3)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.6983084,False
5769,O=C1N(CCN2CC3CCC2CC3)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.6298814,False
5770,O=C1N(CCN2CCCC3(CCCc4ccccc43)C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.66840595,False
5771,CCCN(C(C)C)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6929617,False
5772,CCN(CCC(=O)N1CCC(C)CC1)C1COc2c(N)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.27727234,False
5773,COC(C)N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7053352,False
5774,COCCN1CCN(c2cccc(CN3Cc4ccccc4C3)c2)C1=O,[*]N1CCN([*])C1=O,0.7613841,False
5775,COc1ccc(CC(=O)NCC=CCN2CCN(c3ccccc3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42897937,False
5776,Cc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(C(F)(F)F)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.73631376,False
5777,Nc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7647895,False
5778,O=C1N(CCN2CC3CCC2C3)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.6943651,False
5779,CC(c1cccc(F)c1)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.69630086,False
5780,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(C)c4Cl)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81108534,False
5781,O=C(CN1CCN(C2COOC2)C1=O)N1CCc2c(F)cccc21,[*]N1CCN([*])C1=O,0.21448684,False
5782,O=C1N(CCN2CC3=C(CC=CC=C3)C2)CCN1c1ccc(C(F)(F)F)s1,[*]N1CCN([*])C1=O,0.58786297,False
5783,O=C1N(CCN2CCCc3ccccc32)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4679262,False
5784,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccc(Cl)s1,[*]N1CCN([*])C1=O,0.47086048,False
5785,O=C1N(CCN2CCc3ccccc3C2)CCN1c1coc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.6176341,False
5786,CC1CCN(C(=O)CCN(C(C)C)C2COc3c(O)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.2599255,False
5787,CON1CCN(CCN(C)C)C1=O,[*]N1CCN([*])C1=O,0.35454208,False
5788,COc1cccc(C2CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.9203067,False
5789,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(N)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.949419,False
5790,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc[nH]c1-c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.790582,False
5791,O=C1N(CCN2CCc3ccccc32)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.602528,False
5792,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccco1,[*]N1CCN([*])C1=O,0.75209194,False
5793,CC1CCCN(CCN2CCN(c3ccccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.5268604,False
5794,CN(Cc1cccs1)CN1CCN(CN2CCOC2=O)C1=O,[*]N1CCN([*])C1=O,0.3687112,False
5795,Cc1cc(N2CCN(CN3Cc4ccccc4C3)C2=O)ccn1,[*]N1CCN([*])C1=O,0.5330878,False
5796,Cc1ccc(N2CCN(CCN3CCOCC3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.39250574,False
5797,N#Cc1cc(F)ccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.7953954,False
5798,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.62592745,False
5799,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.6310208,False
5800,O=C1N(CCN2CCc3ccccc3N2)CCN1Cc1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.5547145,False
5801,CC1(C)C2CC(CN(CCN3CCN(c4ccccc4Cl)C3=O)C2)C1(C)C,[*]N1CCN([*])C1=O,0.6133909,False
5802,CCN(CC)C1COc2c(cccc2-c2ccc([N+](=O)[O-])cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43239796,False
5803,CCN(CCC(=O)N1CCN(c2ccccc2)CC1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.13951914,False
5804,CN(Cc1cc2ccccc2s1)CN1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.49547383,False
5805,O=C1N(CCN2CCCCCC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.78860897,False
5806,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccc2ncccc2c1,[*]N1CCN([*])C1=O,0.6025028,False
5807,O=C1N(CCN2c3ccccc3CC2C(F)(F)F)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.51746154,False
5808,CC1(C)CC2CCC(C1)N2CCN1CCN(c2ccc3c(c2)OCO3)C1=O,[*]N1CCN([*])C1=O,0.5410302,False
5809,CN1CCN(CCN2CCN(c3cccc(Cl)c3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.75897026,False
5810,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8765508,False
5811,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(CF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92687565,False
5812,O=C1N(CC2CCCN2CCF)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.50038135,False
5813,O=C1N(CCN2CC3CCC2C3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.63332295,False
5814,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(F)c1F,[*]N1CCN([*])C1=O,0.83030903,False
5815,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc2nc([O-])ccc2c1,[*]N1CCN([*])C1=O,0.6076695,False
5816,O=C1N(c2ccc(Cl)cc2F)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.22393917,False
5817,CC(=O)C1CCN(CCN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1,[*]N1CCN([*])C1=O,0.5283388,False
5818,CCCCN(CCC)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6066158,False
5819,COc1cccc(CN2CCN(C(C)N3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.4648752,False
5820,COc1ccccc1N1CCN(CCNC(=O)c2cc(Br)c3ccccc3c2OC)CC1,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.9730538,True
5821,O=C1N(CCN2CCOCC2)CCN1c1cccc(O)c1,[*]N1CCN([*])C1=O,0.3594778,False
5822,O=C1N(CCOC2CCCC2)CCN1c1ccccc1O,[*]N1CCN([*])C1=O,0.4168639,False
5823,O=C1N(CN2CCC(C(F)(F)F)CC2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.60226816,False
5824,CCCN(CC)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6349864,False
5825,COc1cc(C)ccc1CN(CCC(=O)N1c2ccccc2CC1C)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.24659123,False
5826,COc1cccc2c1OCC(N(C)CCCN1C(=O)CN(c3ccccc3)C1=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5332513,False
5827,O=C(Cc1ccc(OCCF)cc1)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79620403,False
5828,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81309193,False
5829,O=C1N(CCN2CCCN(c3cccc(C(F)(F)F)c3)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5378134,False
5830,O=C1N(CN2Cc3ccccc3C2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.5933667,False
5831,C#CCN(C)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4943478,False
5832,CCN(CCCC(=O)N1CCC(O)C1C)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.29315105,False
5833,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Br)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9625948,False
5834,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccc(-c4cccc(O)n4)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8115694,False
5835,Cc1cccc2c1OCC(N(CCC(=O)N1CCC(C)CC1)Cc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.16672358,False
5836,O=C1N(CN2CCC(C(F)(F)F)CC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.70236075,False
5837,O=C1N(c2cccc(CN3Cc4ccccc4C3)c2)CCN1c1cccc2ncccc12,[*]N1CCN([*])C1=O,0.43495035,False
5838,CN(CCC(=O)N1CCN(c2ccccc2)CC1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.15725052,False
5839,CN1CCCCC1N1CCN(c2ccccn2)C1=O,[*]N1CCN([*])C1=O,0.2882947,False
5840,COCC1CCC(CN2CCN(c3cccc(Cl)c3)C2=O)N1,[*]N1CCN([*])C1=O,0.69135994,False
5841,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4542943,False
5842,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1ccccc1[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.7364539,False
5843,O=C1N(CCN2C3CCCC2CC3)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.45596963,False
5844,O=C1N(CCN2CCC3CCC(CC3)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.72514004,False
5845,CC(C)c1cccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.72834057,False
5846,CCCN(C(C)C)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.61931866,False
5847,CCCN(C)C1COc2c(cccc2-c2cccc([N+](=O)[O-])c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47966194,False
5848,CCCN(CCCN(C)C)C1COc2c(cccc2C2COc3ccccc32)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6382088,False
5849,CN(C)CCN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.6295035,False
5850,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(CF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8381651,False
5851,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.96751755,True
5852,CN(CCN1CCN(c2ccc3c(c2)OCO3)C1=O)CC12CCC(CC(C)(C)C1)C2,[*]N1CCN([*])C1=O,0.4678222,False
5853,CN(CCN1CCN(c2ccc3ccccc3c2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.6503019,False
5854,CN1CCCCC1(C)CN1CCN(c2cccc(Cl)c2Cl)C1=O,[*]N1CCN([*])C1=O,0.3918072,False
5855,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7461372,False
5856,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ncccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.98730826,True
5857,O=C1N(c2ccc(F)cc2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.6061598,False
5858,CC1(C)C2CCC1(N1CCN(C3CN(Cc4ccccc4)CCO3)C1=O)CC2,[*]N1CCN([*])C1=O,0.5025037,False
5859,COCC1CC12CCCN1C(CN3CCN(c4ccccc4Cl)C3=O)CC12,[*]N1CCN([*])C1=O,0.2815166,False
5860,Cc1ccc(N2CCN(CCN3CCN(C)CC3)C2=O)cn1,[*]N1CCN([*])C1=O,0.7087514,False
5861,N#Cc1cc(F)ccc1N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.6247416,False
5862,O=C1N(CCN2CCCCCC2)CCN1c1cncc(Cl)c1,[*]N1CCN([*])C1=O,0.69080687,False
5863,O=C1N(CCN2c3ccccc3CC3CCCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.68370914,False
5864,O=C1N(CCOC2CCCC2)CCN1c1ccc(Cl)cc1F,[*]N1CCN([*])C1=O,0.4448349,False
5865,CCCN(CCC)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.83632404,False
5866,COc1cccc2c1OCC(N(CCN1CCN(c3cccc(Cl)c3)C1=O)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.52779657,False
5867,Cc1cc(CN2CCN(c3ccccc3)C2=O)on1,[*]N1CCN([*])C1=O,0.22995724,False
5868,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1ccc2cccnc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84719384,False
5869,O=C1N(CCN2CCCCCC2)CCN1c1cc(F)c(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.81169295,False
5870,O=C1N(c2ccc(C(F)(F)F)cc2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.5849707,False
5871,CC(=O)n1ccc2cc(N3CCN(CCN4CCOCC4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.36616403,False
5872,CC1(C)C2CCC1(N1CCN(C(=O)c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.16739996,False
5873,CC1(C)CN(CN2CCN(c3cccc(Cl)c3)C2=O)c2ccccc21,[*]N1CCN([*])C1=O,0.44812003,False
5874,CCCN(CC1CCC1)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.70965374,False
5875,Cc1csc(N2CCN(Cc3cccc(Cl)c3)C2=O)n1,[*]N1CCN([*])C1=O,0.20135361,False
5876,N#Cc1cccc(N2CCN(CN3Cc4ccccc4C3)C2=O)c1F,[*]N1CCN([*])C1=O,0.5885598,False
5877,O=C1N(CCN2CCC3C4CCC3(CC4)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.6273813,False
5878,CC1(C)CCN(CCN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1,[*]N1CCN([*])C1=O,0.62251496,False
5879,COc1cccc(N2CCN(CC3CCc4sccc4C3CN(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.4798843,False
5880,O=C1N(CCN2CCOCC2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.30623448,False
5881,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cccc(OCC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.58821696,False
5882,O=C1N(Cc2ccccc2C(F)(F)F)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.36780342,False
5883,CC1(C)C2CCC1(N1CCN(CC3Cc4ccccc4O3)C1=O)CC2,[*]N1CCN([*])C1=O,0.51409066,False
5884,CCCN(CCC(=O)N1CCC(C)CC1)C1COc2c(cccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39249453,False
5885,CCN(C)CCN1CCN(c2cccc(OC)c2)C1=O,[*]N1CCN([*])C1=O,0.7433722,False
5886,CCN1CCC(N2CCN(c3cccc(Cl)c3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.5532455,False
5887,COc1ccc(N2CCN(CC=CCNC(=O)c3cc4cc(OC)ccc4[nH]3)CC2)c(OC)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51160914,False
5888,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1ccc(OC(F)(F)F)cc1,[*]N1CCN([*])C1=O,0.719156,False
5889,CC(C)N1CCN(CN2CCN(c3cc(Cl)ccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.38563144,False
5890,CN1CCN(CN2CCN(C34CCC(C)(CC3)C4(C)C)C2=O)CC1,[*]N1CCN([*])C1=O,0.37442407,False
5891,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ncccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92240345,False
5892,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cc(OCCF)cc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7170293,False
5893,O=C1CCc2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)cc2N1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80089843,False
5894,CCOc1ccccc1N1CCN(CC=CCNC(=O)Cc2cc3ccccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7260546,False
5895,COc1cccc(N2CCN(CCN3CCC(CF)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.86266196,False
5896,Cc1cccc(N2CCN(CC=CCNC(=O)c3c(C)cccc3N)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33523726,False
5897,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1ccc2ccccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92250955,False
5898,O=C1CC2(CCN(CCN3CCN(c4ccc5c(c4)OCO5)C3=O)CC2)CN1,[*]N1CCN([*])C1=O,0.6172636,False
5899,O=C1COc2ccc(CN3CCN(Cc4cccc(C(F)(F)F)c4)C3=O)cc2N1,[*]N1CCN([*])C1=O,0.3938206,False
5900,O=C1N(Cc2ccc(F)cc2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.60880876,False
5901,CC1CCc2sccc2CN1CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.6755823,False
5902,CN1CCCC(N2CCN(c3ccccn3)C2=O)C1,[*]N1CCN([*])C1=O,0.30497986,False
5903,CN1CCN(CCN2CCN(c3ccncc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7705099,False
5904,COc1cccc(CN2CCC(CN3CCN(c4cccc(Cl)c4)C3=O)CC2)c1,[*]N1CCN([*])C1=O,0.73150676,False
5905,COc1ccccc1N1CCN(CC(C)N2CCN(C(C)C)CC2)C1=O,[*]N1CCN([*])C1=O,0.24751835,False
5906,O=C1N(CCN2CC3CCC2CC3)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.63125604,False
5907,CC1CN1Cc1ccccc1N1CCN(C2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.3206112,False
5908,CO[N+](=O)c1cccc(N2CCN(CCN3CCN(C(C)C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.66671103,False
5909,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(Br)cc3)[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9376963,False
5910,Cc1cc(N2CCN(CCN3CCCCCC3)C2=O)on1,[*]N1CCN([*])C1=O,0.5985346,False
5911,O=C1Nc2ccccc2CN1CCN1CCN(c2ccsc2)C1=O,[*]N1CCN([*])C1=O,0.6609079,False
5912,CC(=O)c1cccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.5902598,False
5913,CC1(C)C2CCC1(N1CCN(C3COc4ccccc4C3)C1=O)CC2,[*]N1CCN([*])C1=O,0.43432057,False
5914,CCCN(CCC(=O)N1CCN(C(=O)C2CCCC2)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.24963628,False
5915,COc1cccc(N2CCN(CC=CCNC(=O)c3cccc(CCF)c3)CC2)c1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6396086,False
5916,O=C1N(CCOC2CCCC2)CCN1c1ccccc1C(F)(F)F,[*]N1CCN([*])C1=O,0.46104413,False
5917,O=C1Nc2ccccc2CN1CCN1CCN(c2ccc3c(c2)OC3)C1=O,[*]N1CCN([*])C1=O,0.63787645,False
5918,CC12CCC(N3CCN(C4COc5ccc6ccccc6c5O4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.36851478,False
5919,CCN1CCN(CCN2CCN(c3cccc(Cl)c3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.7063558,False
5920,COc1ccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.8399633,False
5921,O=C1N(CC2COCCN2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.3390227,False
5922,O=C1N(CCN2CCOC3c4ccccc4CC3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7587078,False
5923,O=C1N(CCN2CCc3ccccc32)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.53445345,False
5924,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cccc(F)c1Cl,[*]N1CCN([*])C1=O,0.5528315,False
5925,CC1(C)C2CCN(CCN3CCN(c4ccccc4Cl)C3=O)C1(C)CC2,[*]N1CCN([*])C1=O,0.39840224,False
5926,CCCCN(C(C)CC)C1COc2c(cccc2C(=O)OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.33601642,False
5927,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2cc3ccccc3s2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81648076,False
5928,CN1CCCCC1N1CCN(C2CCOC2)C1=O,[*]N1CCN([*])C1=O,0.25613603,False
5929,CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.2858304,False
5930,CNc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6870016,False
5931,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3ccccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9760557,False
5932,Cc1sccc1N1CCN(CCN2CCc3ccccc3N2)C1=O,[*]N1CCN([*])C1=O,0.4688412,False
5933,O=C(c1cccc(Cl)c1)N1CCN(C2CCCNC2)C1=O,[*]N1CCN([*])C1=O,0.19084884,False
5934,CC1CCCCN1CCN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.61249655,False
5935,COc1cccc(CN2CCN(Cc3ccc(Cl)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.30446255,False
5936,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc([N+](=O)[O-])cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7224655,False
5937,O=C1N(CCN2C3CCCC2CC3)CCN1c1cccc([N+](=O)[O-])c1,[*]N1CCN([*])C1=O,0.5383226,False
5938,O=C1N(CCN2Cc3ccccc32)CCN1c1cccc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.64140034,False
5939,CCN(C(C)C)C1COc2c(C=Cc3ccco3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43228874,False
5940,CN(CCN1CCN(c2ccc(F)cc2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.5797824,False
5941,CN1CCCCC1CN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.49736565,False
5942,Cc1ccc(N2CCN(CCN3Cc4ccccc43)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.5148143,False
5943,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1cccc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8947009,False
5944,O=C1N(CC2COCCN2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.3098277,False
5945,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccc(Cl)cc1F,[*]N1CCN([*])C1=O,0.45147943,False
5946,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(-c2cccs2)cc1,[*]N1CCN([*])C1=O,0.8758697,False
5947,CC1(C)C2CCC1C1CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1(C)C2,[*]N1CCN([*])C1=O,0.76477325,False
5948,CCCN(CCC(=O)N1CCC(=O)CC12CCCC2)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.39271244,False
5949,Cc1cccc(CN(C)CN2CCN(c3cccc(Cl)c3Cl)C2=O)c1,[*]N1CCN([*])C1=O,0.34404555,False
5950,Cc1cccc(N2CCN(CC=CCNC(=O)c3cnc4ccccc4c3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79366153,False
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5952,CC12CCC(CCC3(CC3)C1)CN2CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.7132171,False
5953,CN(C)Cc1ccc(N2CCN(c3ccccc3Cl)C2=O)s1,[*]N1CCN([*])C1=O,0.27713093,False
5954,COc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9215646,False
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5957,CCCN(CC)C1COc2c(cccc2-c2cccnc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5604772,False
5958,CCCc1ccc(OC)c(OC)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.31157774,False
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5960,O=C1N(CCN2CCOCC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.2814699,False
5961,O=C1Nc2ccccc2CN1CCN1CCN(C2COC2)C1=O,[*]N1CCN([*])C1=O,0.52170306,False
5962,CC12CCC(N3CCN(Cc4cccc5ccccc45)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.33481967,False
5963,CN(CCN1CCN(c2cccc(C#N)c2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.6744497,False
5964,Cc1cc(N2CCN(CC(C)N3Cc4ccccc4C3)C2=O)on1,[*]N1CCN([*])C1=O,0.28371355,False
5965,Cc1ccc(N2CCN(CC(=O)N3Cc4ccccc4C3)C2=O)o1,[*]N1CCN([*])C1=O,0.08347451,False
5966,O=C1N(CCN2CC3CCC2Cc2ccccc2C3)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.6857938,False
5967,O=C1N(CCN2CCCc3ccccc32)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.3279472,False
5968,O=C1N(CCN2CCCc3sccc3C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.6752011,False
5969,CC(C)N1CCN(C(C)CN2CCN(c3cccc(Cl)c3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.2759012,False
5970,CN(Cc1ccccc1)CN1CCN(C2CCOCC2)C1=O,[*]N1CCN([*])C1=O,0.3880068,False
5971,CN1CCCCCC1N1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.26318583,False
5972,Cc1ncccc1-c1cccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6624134,False
5973,O=C1CCc2c(CCN3CCN(c4cccc(CN5Cc6ccccc6C5)c4)C3=O)cccc2N1,[*]N1CCN([*])C1=O,0.7303059,False
5974,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.79074556,False
5975,CC1CCN(C(=O)CCN(CCc2ccccc2)C2COc3c(O)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.31191248,False
5976,CCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.59127074,False
5977,CCN1CC2CCC1C2CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.57572585,False
5978,CN(CCN1CCN(c2cc(Cl)cc(Cl)c2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.6137682,False
5979,Cc1cc(CN2CCN(Cc3cccc(Cl)c3)C2=O)on1,[*]N1CCN([*])C1=O,0.17741723,False
5980,N#Cc1cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.9315873,True
5981,O=C1N(CN2CCC(COc3ccccc3)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.559468,False
5982,CCCN(CCC)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.76033217,True
5983,COc1ccc2c(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9497393,False
5984,Cc1sc2ccccc2c1N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.6465618,False
5985,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc2ncccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7197263,False
5986,O=C1N(CC2CCCCC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.4810763,False
5987,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccc2cc(F)ccc2c1,[*]N1CCN([*])C1=O,0.50666815,False
5988,O=C1N(CCN2CCN(c3ccc(F)cc3)CC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.7809909,False
5989,O=C1N(CNC2CCCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.49255356,False
5990,CCN(CCC(=O)N1C(=O)CC2(CCCC2)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.28710052,False
5991,COc1ccccc1N1CCN(CCN2CCCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.7810772,False
5992,Cc1csc(N2CCN(CCN3C(=O)COc4ccccc43)C2=O)n1,[*]N1CCN([*])C1=O,0.2673678,False
5993,O=C1N(CCN2CCCCCC2)CCN1c1cccc([N+](=O)[O-])c1,[*]N1CCN([*])C1=O,0.6077588,False
5994,O=C1N(CN2Cc3ccccc3C2)CCN1C1CCN(Cc2ccccc2)CC1,[*]N1CCN([*])C1=O,0.77363205,False
5995,O=C1N(c2cc(F)cc(Cl)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.28040588,False
5996,CN(CCN1CCN(c2ccc3c(c2)OCO3)C1=O)CC12CCCC1N(C)C2=O,[*]N1CCN([*])C1=O,0.54259163,False
5997,COc1c(C(=O)NCCN2CCN(c3ccc(Cl)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.887695,False
5998,O=C1N(CCN2C3CCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8864487,False
5999,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1cccc(F)c1,[*]N1CCN([*])C1=O,0.7254807,False
6000,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc2ncccc2c1,[*]N1CCN([*])C1=O,0.686277,False
6001,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(O)c1,[*]N1CCN([*])C1=O,0.70127124,False
6002,O=C1N(CN2CCCC2CO)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4884047,False
6003,O=C1N(Cc2cccc(F)c2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.32418346,False
6004,CC(C)N1CCCN(CCN2CCN(c3cccc(Cl)c3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.8402031,False
6005,CC(C)N1CCN(CCN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8588042,True
6006,CCCN(CCC(N)=O)C1COc2c(C=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5799523,False
6007,CCOc1cccc(N2CCN(CCOC3CCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.6631919,False
6008,CCc1ccc(O)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9531436,False
6009,CN(CCN1CCN(c2ccc3c(c2)OCO3)C1=O)C1CCCCC1,[*]N1CCN([*])C1=O,0.5009419,False
6010,O=C1N(c2ccsc2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.29288843,False
6011,CC(c1cccc(Cl)c1)N1CCN(C2CCNCC2)C1=O,[*]N1CCN([*])C1=O,0.30158642,False
6012,CC12CCC(N3CCN(c4ccc(Cl)cc4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.21379805,False
6013,COc1ccc(Cl)cc1N1CCN(CCN2CCc3ccccc3N2)C1=O,[*]N1CCN([*])C1=O,0.5433222,False
6014,NC(=O)c1cccc(N2CCN(CCOC3CCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.41183576,False
6015,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc(-c2cccs2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85700184,False
6016,O=C1N(CCN2CCN(Cc3ccccc3)CC2)CCN1c1cccc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.6998306,False
6017,O=C1N(CCN2CCNC(C(F)(F)F)C2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.72044235,False
6018,CC1(C)C2CCC1(N1CCN(c3cccc(F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.3130538,False
6019,CCCCN(Cc1ccccc1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.591802,False
6020,COCC1CC2CCC1N(CCN1CCN(c3ccccc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.39280778,False
6021,COc1ccc2c(c1)CCN(CCN1CCN(c3cccc(C)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.6556607,False
6022,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1cccc(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6931276,False
6023,O=C1N(CCN2CC3CCC2C3)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.4739582,False
6024,O=C1N(Cc2cc3ccccc3o2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.57103294,False
6025,CCCN(CCCN(C)C)C1COc2c(cccc2OCc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6628128,False
6026,CN(C)Cc1csc(N2CCN(CN3CCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.30243188,False
6027,CN(Cc1ccccc1)CN1CCN(c2cccc3c2OCO3)C1=O,[*]N1CCN([*])C1=O,0.34657198,False
6028,COc1cccc2c1OCC(N(CCCN1C(=O)CC3(CCCN3C)C1=O)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.40647042,False
6029,N#Cc1ccc(N2CCN(CCOC3CCCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.5588359,False
6030,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1cc2cc(O)ccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42968735,False
6031,CN1CCC(CN2CCN(c3ccccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.4027781,False
6032,CS(=O)(=O)c1cc(N2CCN(CN3Cc4ccccc4C3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.5087104,False
6033,Cc1ccc(N2CCN(C3CCCNC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.19660987,False
6034,Cc1ccc(N2CCN(CCN3Cc4ccccc4NC3=O)C2=O)cc1,[*]N1CCN([*])C1=O,0.56946385,False
6035,Cc1cccc(N2CCN(CCN3CCCOCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.55092406,False
6036,Cc1ccccc1N1CCN(CCN2CCCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.33610037,False
6037,Cc1cccnc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(C)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8102828,False
6038,Cc1csc(N2CCN(CC(C)N3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.34610257,False
6039,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.5985354,False
6040,CC1CCN(C(=O)CCN(CCc2ccccc2)C2COc3c(cccc3[N+](=O)[O-])C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.1943293,False
6041,CCCN(CCCN(C)C)C1COc2c(cccc2S(=O)(=O)C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.62378544,False
6042,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccc2occc2c1,[*]N1CCN([*])C1=O,0.4446893,False
6043,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.6402222,False
6044,CC1(C)CC2CC1CN(CCN1CCN(c3ccc4c(c3)OCO4)C1=O)C2,[*]N1CCN([*])C1=O,0.5224518,False
6045,CN1CCCCC1N1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.3003122,False
6046,COC(C)N1CCN(CCN2CCN(C(C)=O)CC2)C1=O,[*]N1CCN([*])C1=O,0.30421337,False
6047,COCC1C2CCC1N(CCN1CCN(c3ccccc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.42655906,False
6048,Cc1oc(O)c2c1C1CCC(C2)CN(CCN2CCN(c3ccccc3)C2=O)C1,[*]N1CCN([*])C1=O,0.4292272,False
6049,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1CCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8988596,False
6050,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc(-c2cccnc2)cc1,[*]N1CCN([*])C1=O,0.7024654,False
6051,CN(C)Cc1cccc(N2CCN(C3CCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.5699933,False
6052,COc1cccc(C2CCCN(CCN3CCN(c4ccccc4Cl)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.6632982,False
6053,Cc1cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)ccn1,[*]N1CCN([*])C1=O,0.8765263,False
6054,O=C1N(CCN2CCC(C(F)F)CC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.7832288,False
6055,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.43667403,False
6056,O=C1N(CCN2CCN(c3cccc(F)c3)CC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.7505614,False
6057,O=C1N(CN2Cc3ccccc3C2)CCN1c1cc(F)ccc1Cl,[*]N1CCN([*])C1=O,0.5666002,False
6058,CC1CC23CC(CC12)N(CCN1CCN(c2cccc(Cl)c2)C1=O)C3,[*]N1CCN([*])C1=O,0.7630449,False
6059,CCN(CCCNC(C)=O)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.23943447,False
6060,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(N(C)C)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83449334,False
6061,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.57104313,False
6062,O=C1N(CCN2CCc3ccsc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7874368,False
6063,O=C1N(CN2Cc3ccccc3C2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.61163783,False
6064,O=C1Nc2ccccc2CN1CCN1CCN(c2ccc3ccsc3c2)C1=O,[*]N1CCN([*])C1=O,0.41649294,False
6065,COc1cccc(N2CCN(CCN3CCOCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.46755514,False
6066,Cc1ccnc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9171277,False
6067,O=C1N(CC2CCCCN2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.6399132,True
6068,O=C1N(CCN2CC3c4ccccc4CCN3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.81447566,False
6069,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.43339166,False
6070,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccoc1,[*]N1CCN([*])C1=O,0.51351434,False
6071,O=C1N(c2cc(Cl)ccc2F)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.2958825,False
6072,COCC1C2CCC1CN(CCN1CCN(c3cccc(F)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.7542135,False
6073,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3cc(OCCF)ccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.97688127,True
6074,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1cccc(-c2ccncc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8038454,False
6075,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2ncccc2c1,[*]N1CCN([*])C1=O,0.8150976,False
6076,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc2ncsc12,[*]N1CCN([*])C1=O,0.4574636,False
6077,O=C1Nc2ccccc2CN1CCN1CCN(c2ccc(-c3ccccc3)s2)C1=O,[*]N1CCN([*])C1=O,0.55983007,False
6078,CC(C)(C)N1CCc2ccc(N3CCN(CN4Cc5ccccc5C4)C3=O)cc21,[*]N1CCN([*])C1=O,0.5877508,False
6079,CN1CCCCC1CNN1CCN(c2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.31833795,False
6080,N#Cc1ccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)cc1F,[*]N1CCN([*])C1=O,0.80728257,False
6081,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(-c2ccsc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45418411,False
6082,CC(C)N1CCN(CCN2CCN(c3ccc(F)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.80453515,False
6083,CCCN(C(C)C)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6742553,False
6084,CCCN(C)C1COc2c(cccc2-c2ccc(S(C)(=O)=O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49997726,False
6085,CCN(CCCN1C(=O)CCC12CCC(=O)C2)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4385254,False
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6087,O=C1N(CCOC2CCCCN2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.48075458,False
6088,O=C1N(c2ccc(Cl)c(Cl)c2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.27026483,False
6089,CC1CCCN(CN2CCN(c3ccccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.3579759,False
6090,CCN(C(C)C)C1COc2c(cccc2C(=O)c2ccc3ccccc3c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.22416079,False
6091,CCN(C)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53069836,False
6092,CN(Cc1ccccc1)CN1CCN(CCN2COc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.6124089,False
6093,COc1ccc2[nH]c(C(=O)NCC=CCN3CCN(c4ccccc4F)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.58064765,False
6094,COc1cccc(NC(=O)C(=O)NCC=CCN2CCN(c3ccccc3C)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37243757,False
6095,COc1cccc2c1OCC(N(CCc1cccs1)CC1(C)CCCC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.4414673,False
6096,CC(C)N1CCN(CCN2CCN(c3ccc(C#N)c(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7791829,False
6097,COc1cccc2c1OCC(N(CCC(=O)N1CCCC13CCCC3)Cc1ccc(F)cc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3761634,False
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6099,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.5524269,False
6100,O=C1N(Cc2cccc3c2CCC3)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.5647218,False
6101,CCN(C(C)C)C1COc2c(cccc2C(=O)c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.22596082,False
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6104,O=C1N(CC2CCCCN2)CCN1c1cncc(Cl)c1,[*]N1CCN([*])C1=O,0.48082626,False
6105,O=C1N(CCN2CCCc3ccsc3C2)CCN1c1cccc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.7191208,False
6106,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.78629667,False
6107,CC(C)N(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4562168,False
6108,CC1CCN(C(=O)CCN(Cc2ccccc2)C2COc3c(F)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.2241156,False
6109,CN(C)Cc1csc(N2CCN(CC(=O)N3CCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.16039035,False
6110,COC(C)N1CCN(CN2CCCC(C(F)(F)F)C2)C1=O,[*]N1CCN([*])C1=O,0.36383754,False
6111,O=C1N(CCN2CC3CCCC2CC3)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.44625396,False
6112,O=C1N(CCN2CCCCC2C(F)(F)F)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.5584963,False
6113,O=C1N(CCN2CCCCCC2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.71993893,False
6114,CC(C)N1CCN(CCN2CCN(c3cccc([N+](=O)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.781481,False
6115,CN1CCCCC1N1CCN(c2ccc3c(c2)OCO3)C1=O,[*]N1CCN([*])C1=O,0.31501555,False
6116,Cc1cc(N2CCN(CCN3CCOCC3)C2=O)ccn1,[*]N1CCN([*])C1=O,0.3573389,False
6117,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc([N+](=O)[O-])c1,[*]N1CCN([*])C1=O,0.5854411,False
6118,O=C1N(CCN2CCc3ccccc3N2)CCN1Cc1ccc2ccsc2c1,[*]N1CCN([*])C1=O,0.44044316,False
6119,O=C1N(CN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.42471611,False
6120,CCCN(CCCN(C)C)C1COc2c(cccc2-c2ccc(C(F)(F)F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7459287,False
6121,CCN(C)C1COc2c(cccc2C(=O)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.277852,False
6122,CCN(CC1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.19137059,False
6123,COC(C)N1CCN(CCN2CCN(C(C)C)CC2)C1=O,[*]N1CCN([*])C1=O,0.55979145,False
6124,COC(C)N1CCN(Cc2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.28380135,False
6125,O=C(c1cccc(Cl)c1)N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.43931523,False
6126,O=C1N(CCN2CC3CCCC2CC3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.5802428,False
6127,O=C1N(Cc2ccccc2)CCN1CC1COCCN1,[*]N1CCN([*])C1=O,0.32694972,False
6128,CC1CCN(CN2CCN(c3ccccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.56562126,False
6129,CCCN(CC)C1COc2c(cccc2-c2ccc(O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6550558,False
6130,CCN(C)C1COc2c(cccc2-c2ccc([N+](=O)[O-])cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42316723,False
6131,CN1CCCCC1CN1CCN(c2ccc3c(c2)OCO3)C1=O,[*]N1CCN([*])C1=O,0.46382353,False
6132,CN1CCCCC1CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.524557,False
6133,COc1cccc(N2CCN(C34CCC(C)(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.18391669,False
6134,Cc1cccc(N2CCN(CC=CCNC(=O)c3ncccn3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8168969,False
6135,O=C1N(CCOC2CCCC2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.4994051,False
6136,CN(C)Cc1cccc(N2CCN(CCN3CCCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.73303115,False
6137,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3[N+](=O)[O-])CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7263297,False
6138,O=C1N(CC(F)F)CCN1c1cccc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.35791147,False
6139,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.69721156,False
6140,O=C1N(Cc2ccc(C(F)(F)F)cc2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.63373476,False
6141,CCN(CC)C1COc2c(cccc2-c2coc(OC)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.46405566,False
6142,CCN(CC1CCCN1C)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6847,False
6143,CN1CCN(CCN2CCN(C3COOC3)C2=O)CC1,[*]N1CCN([*])C1=O,0.46858418,False
6144,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(-c3ccccc3)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9366175,False
6145,Cc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1-c1cccnc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86150515,False
6146,O=C1N(CC2CCCCCN2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.45721203,False
6147,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccc(F)c(Cl)c1F,[*]N1CCN([*])C1=O,0.68279076,False
6148,CCCN(CC1CCCC1)C1COc2c(cccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.69142723,False
6149,CCN(CC)CCN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.53326994,False
6150,CCN(CCOC)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.55346197,False
6151,Cc1ccc(N2CCN(CCOC3CCCC3)C2=O)cc1C,[*]N1CCN([*])C1=O,0.51868236,False
6152,Cc1csc(N2CCN(C3COc4ccccc4C3)C2=O)n1,[*]N1CCN([*])C1=O,0.36737412,False
6153,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cc(F)cc(F)c1,[*]N1CCN([*])C1=O,0.7974022,False
6154,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.49623573,False
6155,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.67645687,False
6156,CC(c1cccc(Cl)c1)N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.6782318,False
6157,CCCN(C1CCNCC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.575275,False
6158,CCCN(CC1CC1)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.747931,False
6159,CC(C)Oc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.8622063,False
6160,CCN1CCN(Cc2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.2545906,False
6161,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2CCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8374771,False
6162,CN1CCN(CCN2CCN(C(F)(F)F)C2=O)CC1,[*]N1CCN([*])C1=O,0.539531,False
6163,O=C1N(CCN2CCCc3ccccc32)CCN1c1cccc(Cl)n1,[*]N1CCN([*])C1=O,0.4479396,False
6164,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.6435073,False
6165,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(-c2cccs2)s1,[*]N1CCN([*])C1=O,0.8111233,False
6166,CC(C)N(CCC(N)=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.28718674,False
6167,CC12CCC(N3CCN(CN4CCN(c5cccc(Cl)c5)CC4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.5236255,False
6168,CN1CCCCC1CN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.50909364,False
6169,COc1ccc(C(=O)NCC=CCN2CCN(c3cccc(F)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8214126,False
6170,Cc1c(Cl)cccc1N1CCN(CC=CCNC(=O)Cc2cccc(N)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52870965,False
6171,Cc1ccc(N2CCN(CN(C)Cc3cccc(Cl)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.32666185,False
6172,Cc1ccc(N2CCN(CN(C)Cc3ccccc3)C2=O)s1,[*]N1CCN([*])C1=O,0.38387528,False
6173,CCN(CCC(=O)N1CCC(c2ccccc2)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.20825292,False
6174,CNc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8584502,False
6175,COc1cccc(N2CCN(CCN3CCCC(C)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7782361,False
6176,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4ccc[nH]4)CC3)oc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3276829,False
6177,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(N(C)C)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9371296,False
6178,Cc1cncc(N2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6559637,False
6179,O=C1N(Cc2ccc3ccccc3c2)CCN1Cc1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.32226846,False
6180,CC1Cc2ccccc2N1CCN1CCN(Cc2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.5159498,False
6181,CN(C)c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38095653,False
6182,N#Cc1cccc(N2CCN(CCN3CCOCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.43833682,False
6183,O=C(Cc1ccc(OCCF)cc1)NCC=CCN1CCN(c2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46255782,False
6184,O=C1N(c2cccc(Cl)n2)CCN1c1ccccc1CN1CCCCCC1,[*]N1CCN([*])C1=O,0.35326648,False
6185,CC(c1cccc(Cl)c1)N1CCN(CCN2CCOCC2)C1=O,[*]N1CCN([*])C1=O,0.30766425,False
6186,CN1CCN(CCN2CCN(c3cc(F)cc(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.67588514,False
6187,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4477099,False
6188,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(C)cn3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9263499,False
6189,Cc1cccc(N2CCN(C3CCCCCN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.27581865,False
6190,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8028286,False
6191,O=C1N(Cc2ccc3c(c2)OCCO3)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.4638657,False
6192,CC1(C)CC2CC(C)(CN2CCN2CCN(c3ccc(F)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.53055716,False
6193,CCCN(CCCN(C)C)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.69727135,False
6194,CCN(CCCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.59500813,False
6195,CN1CCC(CN2CCN(c3cccc(Cl)c3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.48361966,False
6196,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3F)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7167951,False
6197,O=C1Nc2ccccc2CN1CCN1CCN(C2CCOc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.5758105,False
6198,CCCN(C(C)C)C1COc2c(cccc2S(=O)(=O)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4942744,False
6199,COc1cc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)ccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.872684,False
6200,COc1cccc(N2CCN(CC=CCNC(=O)c3cc4cccc(OC)c4o3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34647855,False
6201,Cc1cc(N2CCN(CC3Cc4ccccc4O3)C2=O)on1,[*]N1CCN([*])C1=O,0.52413887,False
6202,Cc1ccccc1N1CCN(CN(C)Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.30297437,False
6203,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(CCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94589865,True
6204,O=C1N(Cc2cc3ccccc3s2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.3196776,False
6205,CC(C)c1ccsc1N1CCN(CCN2CCc3ccccc3N2)C1=O,[*]N1CCN([*])C1=O,0.5214908,False
6206,CC1(C)C2CCC1(N1CCN(C3CCOCC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.20903985,False
6207,CCN(C)CCN1CCN(c2ccc(C)cc2)C1=O,[*]N1CCN([*])C1=O,0.4887834,False
6208,COc1ccc(CC(=O)NCC=CCN2CCN(c3ccccc3SC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.578292,False
6209,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccc(OC(F)(F)F)cc1,[*]N1CCN([*])C1=O,0.4410041,False
6210,O=C1N(Cc2ccccc2Cl)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.41639638,False
6211,CC(CN1CCN(c2cccc(OC(F)(F)F)c2)C1=O)N1CCc2ccccc21,[*]N1CCN([*])C1=O,0.3511774,False
6212,CN(C)Cc1csc(N2CCN(C3OCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.46065924,False
6213,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4ncccn4)CC3)oc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.33767992,False
6214,O=C1N(CCN2CCCCCC2)CCN1c1cccc(F)n1,[*]N1CCN([*])C1=O,0.7045446,False
6215,O=C1N(CCN2CCc3ccccc3N2)CCN1Cc1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.4570331,False
6216,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(C(F)(F)F)s1,[*]N1CCN([*])C1=O,0.8599587,False
6217,CCCN(C)C1COc2c(cccc2Oc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7397047,False
6218,CCc1ccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)s1,[*]N1CCN([*])C1=O,0.5916329,False
6219,COc1ccccc1N1CCN(CC=CCNC(=O)c2c(C)cccc2N)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88805056,False
6220,Cc1cc(N2CCN(C(C)N3Cc4ccccc4C3)C2=O)on1,[*]N1CCN([*])C1=O,0.3026887,False
6221,Cc1csc(N2CCN(CN3CCN(c4cccc(Cl)c4)CC3)C2=O)n1,[*]N1CCN([*])C1=O,0.47483498,False
6222,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(O)c2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.907089,False
6223,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ncc2ccccc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7308898,False
6224,O=C1N(CC2CCNC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.37629294,False
6225,CC1(C)C2CCC1(N1CCN(CN3CCN(Cc4ccc(Cl)cc4)CC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.56250185,False
6226,CC1CCN(CCN2CCN(c3ccccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.7382462,False
6227,CN(C)Cc1csc(N2CCN(CCN3Cc4ccccc4O3)C2=O)c1,[*]N1CCN([*])C1=O,0.54466236,False
6228,CN(Cc1cc2ccccc2s1)CN1CCN(Cc2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.29823685,False
6229,O=C1N(CC(=O)N2CCc3c(F)cccc32)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.1484446,False
6230,O=C1N(Cc2cccc(Cl)c2)CCN1Cc1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.24209844,False
6231,CC(=O)N1CCN(C23CCC(C)(CC2)C3(C)C)C1=O,[*]N1CCN([*])C1=O,0.1088176,False
6232,CN(Cc1ccccc1)CN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.37694433,False
6233,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(Br)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8638331,False
6234,O=C1N(C2CCCCN2)CCN1C(F)(F)F,[*]N1CCN([*])C1=O,0.23975946,False
6235,O=C1N(CCN2CCC(CF)CC2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.6863089,False
6236,O=C1N(CCN2CCC3Cc4ccccc4CC2C3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.54925674,False
6237,Oc1cccc2c1OCC(N(CC1CC1)C1CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5607672,False
6238,CC1(C)CC2N(CCN3CCN(c4cccc(Cl)c4)C3=O)C3CCC2(C3)C1,[*]N1CCN([*])C1=O,0.65976536,False
6239,CCN(CC)C1COc2c(Cc3ccccc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5923163,False
6240,Cc1ccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)o1,[*]N1CCN([*])C1=O,0.5043447,False
6241,O=C1N(CCN2CCCCC2CF)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.3784215,False
6242,O=C1N(Cc2ccc3c(c2)CCOC3)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.48220524,False
6243,O=C1N(c2ccc(OC(F)(F)F)cc2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.26059297,False
6244,C#CN(CC)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5754655,False
6245,CC1CCCCN1C(C)CN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.28201613,False
6246,CCCN(C)C1COc2c(Cc3ccsc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.72018147,False
6247,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccc(-c4ccc(O)cc4)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.804229,False
6248,O=C1N(CC(=O)N2CCc3c(F)cccc32)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.33604777,False
6249,O=C1N(CCN2CC3CCC2C3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.88879067,True
6250,O=C1N(CN2CCCC(Oc3ccccc3)C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5619435,False
6251,CCCc1ccc(F)c(C(=O)NCC2CCCN2CC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8646038,False
6252,CCN(CC)C1COc2c(cccc2-c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6139842,False
6253,O=C1N(CN2Cc3ccccc3C2)CCN1c1csc(-c2ccccc2)c1,[*]N1CCN([*])C1=O,0.56704116,False
6254,O=C1N(CNC2CCCCC2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.2314806,False
6255,O=C1N(c2ccnnc2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.24299634,False
6256,CC1CCN(C(=O)CCN(CC=Cc2ccccc2)C2COc3c(Cl)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.21837169,False
6257,CCc1ccc(N2CCN(Cc3cc(C)no3)C2=O)cc1,[*]N1CCN([*])C1=O,0.17442556,False
6258,CN(C)Cc1csc(N2CCN(CCN3Cc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.5284612,False
6259,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1ccc(-c2cccnc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8575042,False
6260,O=C1N(CCN2CCCCCC2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.682683,False
6261,CC(C)c1ccc(CN2CCN(CN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.5289313,False
6262,CCN(CCCN1C(=O)CC2(C)CCCCN2C1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45200726,False
6263,COc1cccc2c1CN(CCN1CCN(c3cccc(CN4Cc5ccccc5C4)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.7172504,False
6264,O=C1N(CC(=O)N2CCc3ccccc32)CCN1Cc1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.18744929,False
6265,O=C1N(CCN2CC3CCC2CC3)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.60467565,False
6266,O=C1N(CCN2CCC34CCCC3CC2C4)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7724498,False
6267,O=C1N(NCC2CCCCC2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.17612787,False
6268,CC(c1cccc(Cl)c1)N1CCN(CCN2Cc3ccccc3NC2=O)C1=O,[*]N1CCN([*])C1=O,0.56303084,False
6269,CC1CCCCN1CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.41920593,False
6270,CC1CCCCN1CN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.29676607,False
6271,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc(-c2cccnc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8312572,False
6272,O=C1N(CCOC2CCCC2)CCN1c1ccc(O)cc1,[*]N1CCN([*])C1=O,0.4435854,False
6273,O=C1N(Cc2cccc(Cl)c2F)CCN1CN1CCN(Cc2cccc(Cl)c2)CC1,[*]N1CCN([*])C1=O,0.5166057,False
6274,CC12CCC(N3CCN(Cc4cccc5c4OCO5)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.2751945,False
6275,CCCN(CC1CCCC1)C1COc2c(cccc2OS(=O)(=O)C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6299639,False
6276,CCCN(CCCN(C)CC(=O)N1C(=O)C(=O)CC12CCCC2)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43428433,False
6277,CN(CN1CCN(c2cccc(Cl)c2Cl)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.4392678,False
6278,O=C(NCC=CCN1CCN(c2cccc(Cl)n2)CC1)c1ccc(-c2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.51218736,False
6279,CCN(C)CCN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.61798257,False
6280,CN1CCc2cc(CN3CCN(c4cccc(CN5Cc6ccccc6C5)c4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.66859835,False
6281,N#Cc1ccccc1N1CCN(CCOC2CCCC2)C1=O,[*]N1CCN([*])C1=O,0.4467056,False
6282,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cccc(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9248682,False
6283,O=C1N(CC2CCCNCC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.4689001,False
6284,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1ccc(C(F)(F)F)s1,[*]N1CCN([*])C1=O,0.7531778,False
6285,CC(C)N1CCN(CCN2CCCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.45703515,False
6286,CCC(=O)N(CC)C1COc2c(cccc2C(=O)c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.31746316,False
6287,CN1CCN(CCN2CCN(c3ccc(F)c(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.77008533,False
6288,COc1ccccc1N1CCN(CCN2CC3CCC(C)(C2)C3(C)C)C1=O,[*]N1CCN([*])C1=O,0.587734,False
6289,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8905446,False
6290,O=C1N(CN2CCc3ccccc3C2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.5721893,False
6291,CCCN(CC(C)C)C1COc2c(cccc2C(=O)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.45591316,False
6292,CN(C)Cc1cccc(N2CCN(CC3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.4950404,False
6293,CN(Cc1ccccc1)CN1CCN(c2cccc3ccccc23)C1=O,[*]N1CCN([*])C1=O,0.38331887,False
6294,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc(Cl)n3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7901772,False
6295,Cc1cccc(N2CCN(CN(C)Cc3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.39174274,False
6296,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.62748146,False
6297,CCN(C(C)C)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.41359496,False
6298,CN(Cc1cccc(Cl)c1)CN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.41897148,False
6299,Cc1ccc(N2CCN(CC3CCCCN3)C2=O)nc1,[*]N1CCN([*])C1=O,0.32054403,False
6300,Nc1c(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3F)CC2)ccc2c1-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.749277,False
6301,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.70202166,False
6302,O=C1N(CCN2CCCc3sccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8388328,True
6303,O=C1N(CCN2CCN(c3ccccc3)CC2)CCN1c1cccc2ncsc12,[*]N1CCN([*])C1=O,0.700246,False
6304,CC1(C)C2CCC1(N1CCN(CN3Cc4ccccc4C3)C1=O)CC2,[*]N1CCN([*])C1=O,0.597063,False
6305,CN(CN1CCN(C2COOC2)C1=O)CC12CCC1CC2(C)C,[*]N1CCN([*])C1=O,0.5710913,False
6306,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc([N+](=O)[O-])ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86268497,False
6307,Cc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(F)c(N)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.60049367,False
6308,Nc1cccc(N2CCN(CCN3CCC4Cc5ccccc5CC3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.61355275,False
6309,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccc2c(c1)Cc1ccccc1-2,[*]N1CCN([*])C1=O,0.44830668,False
6310,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.64215386,False
6311,CC(C)N1CCN(CCN2CCN(c3ccccc3[N+](=O)[O-])C2=O)CC1,[*]N1CCN([*])C1=O,0.4541884,False
6312,CC12CCC(C)(CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.8558569,False
6313,CC1CCN(C(=O)CN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.11048418,False
6314,CCN(CC1CCCCC1)N1CCN(c2ccccc2F)C1=O,[*]N1CCN([*])C1=O,0.2215456,False
6315,O=C1N(CCN2CCc3ccccc3N2)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.6178675,False
6316,O=C1N(c2ccccn2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.33537757,False
6317,C=CCN1CCCC1CNC(=O)c1c(CC)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.64287186,False
6318,CC(C)N1CCC(CN2CCN(c3ccccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.32211706,False
6319,CC1(C)C2CCC1(N1CCN(CCN3CCCCC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.4258477,False
6320,CN1CCN(CCN2CCN(c3cccnc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.77782136,False
6321,Cc1ccc(N2CCN(c3ccccc3)C2=O)o1,[*]N1CCN([*])C1=O,0.15976025,False
6322,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1cc2ccccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9095347,False
6323,O=C1N(c2cccc(Cl)n2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.3565675,False
6324,CCCN(CC1CC1)C1COc2c(cccc2C(=O)OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4455899,False
6325,COc1cccc2occ(C(=O)NCC=CCN3CCN(c4ccccc4OCCF)CC3)c12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8231186,False
6326,COc1ccccc1N1CCN(CC=CCNC(=O)c2cccc(OC)c2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96315116,False
6327,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2)CC1)c1ccc(-c2ccccn2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4931199,False
6328,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc2ccc(OCCF)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82779723,False
6329,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc(CN2CCCCC2)c1,[*]N1CCN([*])C1=O,0.442708,False
6330,O=C1N(CN2Cc3ccccc3C2)CCN1c1cncnc1,[*]N1CCN([*])C1=O,0.5261001,False
6331,CC(CN1CCN(Cc2cccc(Cl)c2F)C1=O)N1CCc2ccccc21,[*]N1CCN([*])C1=O,0.30448142,False
6332,CCCN(CCC)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.66187054,False
6333,COCC1C2CCC1(C)CN(CCN1CCN(c3ccccc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.5579418,False
6334,COc1cc(Cl)ccc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8051669,False
6335,O=C1N(CCN2CCC3CCC(CC3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.9101718,False
6336,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5273849,False
6337,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc2ccoc12,[*]N1CCN([*])C1=O,0.78391254,False
6338,CN(C)Cc1csc(N2CCN(CC3c4ccccc4CN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.53462523,False
6339,COc1cccc(CN2CCN(CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.62010914,False
6340,O=C1N(CC2CCCNC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.4210176,False
6341,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.662956,False
6342,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(F)c1Cl,[*]N1CCN([*])C1=O,0.67072713,False
6343,O=C1N(c2cccc(Cl)c2F)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.28872827,False
6344,CC(C)N1CCN(CCN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1,[*]N1CCN([*])C1=O,0.56136984,False
6345,CN(C)Cc1cccc(N2CCN(CC(=O)N3CCc4c(Cl)cccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.23715635,False
6346,COC(C)N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.2925084,False
6347,O=C1N(CC(=O)N2CCc3c(F)cccc32)CCN1CN1CCN(c2cccc(Cl)c2)CC1,[*]N1CCN([*])C1=O,0.38744405,False
6348,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8442286,False
6349,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.7145233,False
6350,CN(Cc1cccc(Cl)c1)CN1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.64333546,False
6351,COc1cccc2c1OCC(N(CCCCN1C(=O)CC3(CCCC3)CC1=O)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5437933,False
6352,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1cc(Cl)ccc1F,[*]N1CCN([*])C1=O,0.814819,False
6353,O=C1N(CCN2Cc3ccccc3C2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.75767756,False
6354,O=C1N(c2cccc(Cl)c2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.4046099,False
6355,CN(C)Cc1csc(N2CCN(C3CCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.47374785,False
6356,COc1cccc(CN2CCN(CN(C)Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.3747964,False
6357,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1c[nH]c2ccc(OCCF)cc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9006419,False
6358,O=C1N(CCN2CCC(CO)CC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.6613681,False
6359,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.6856739,False
6360,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(-c2ccccc2Cl)cc1,[*]N1CCN([*])C1=O,0.7943453,False
6361,CC(=O)N(CCC(N)=O)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.29648224,False
6362,CN(CCN1CCN(c2ccc(F)cc2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.7607265,False
6363,COC(C)N1CCN(CC(=O)N2CCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.14545545,False
6364,COc1ccc2ccc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9632161,False
6365,Cn1cc(N2CCN(CC3CCCCN3)C2=O)c2ccccc21,[*]N1CCN([*])C1=O,0.36817575,False
6366,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.78063774,False
6367,CC1(C)C2CC3CCN(CCN4CCN(c5cccc(Cl)c5)C4=O)C21C3,[*]N1CCN([*])C1=O,0.79354364,False
6368,CN1CCC(N2CCN(c3ccc4c(c3)OCO4)C2=O)CC1C(F)(F)F,[*]N1CCN([*])C1=O,0.3752826,False
6369,Cc1cccc(N2CCN(c3cccc(CN4Cc5ccccc5C4)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.61174804,False
6370,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(NCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76485926,False
6371,O=C1N(CCN2CCc3ccccc3N2)CCN1c1csc(-c2ccccc2)n1,[*]N1CCN([*])C1=O,0.50634354,False
6372,COc1cccc(CN2CCN(C(=O)N3c4ccccc4CC3C)C2=O)c1,[*]N1CCN([*])C1=O,0.34666747,False
6373,O=C1N(CCN2CCCC(c3ccccc3)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.6408382,False
6374,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccccc1-n1cccc1,[*]N1CCN([*])C1=O,0.5161484,False
6375,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccsc1-c1ccccn1,[*]N1CCN([*])C1=O,0.6510184,False
6376,O=C1N(CCOC2CCCC2)CCN1c1ccc(F)c(F)c1,[*]N1CCN([*])C1=O,0.5735667,False
6377,O=C1N(CN2Cc3ccccc3C2)CCN1c1cncc(Cl)c1,[*]N1CCN([*])C1=O,0.49590835,False
6378,O=C1N(Cc2ccc(NC3CCCCC3)s2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.4118147,False
6379,CC(F)(F)c1cccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.70204866,False
6380,Cc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9565408,False
6381,Cc1occc1N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.4959428,False
6382,O=C1N(CC2CCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.4808915,False
6383,O=C1N(CC2CCCCN2)CCN1c1cccc(S(=O)(=O)O)c1,[*]N1CCN([*])C1=O,0.45734984,False
6384,O=C1N(CC2COCCN2)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.32196897,False
6385,O=C1N(CCN2CCCc3ccccc32)CCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.43307224,False
6386,O=C1N(c2ccccc2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.5904299,False
6387,CC1(C)C2CCC1(CCN1CCN(c3ccccc3F)C1=O)C2,[*]N1CCN([*])C1=O,0.40311635,False
6388,CC12CCC3(CCN(CCN4CCN(c5cccc(Cl)c5)C4=O)C3C1)C2(C)C,[*]N1CCN([*])C1=O,0.6849026,False
6389,CCN(CC)C1COc2c(cccc2-c2cccc(OC)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5299359,False
6390,COC(=O)c1cccc2c1OCC(N(C)CCC(=O)N1CCC(C)CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.23470902,False
6391,Cc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)cc2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78261065,False
6392,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1cccc2scnc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.71312296,False
6393,COC(C)N1CCN(C(=O)CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.32660142,False
6394,COc1cccc(Cl)c1N1CCN(CCN2CCc3ccccc3N2)C1=O,[*]N1CCN([*])C1=O,0.57985455,False
6395,COc1cccc(N2CCN(CCN3CCc4ccccc4N3)C2=O)c1,[*]N1CCN([*])C1=O,0.7058236,False
6396,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cccc(-c2cccnc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.706931,False
6397,O=C1N(CC2CCCc3ccccc32)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.5977722,False
6398,O=C1N(CN2CCCC(C(F)(F)F)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.4494275,False
6399,CC12CCC(N3CCN(Cc4cc5c(cc4Cl)OCO5)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.2636407,False
6400,CN(C)CCN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.80460423,False
6401,N#Cc1c(F)cccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.7901208,False
6402,O=C1N(CCN2Cc3ccccc32)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.5400638,False
6403,O=C1N(CCOC2CCNC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.54107046,False
6404,CC(c1ccccc1)N1CCN(C2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.23823541,False
6405,CC1(C)CC2CN(CCN3CCN(c4ccc(Cl)cc4)C3=O)CC1(C)C2,[*]N1CCN([*])C1=O,0.6619556,False
6406,CCCN(CCCN(C)C)C1COc2c(C)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.63070935,False
6407,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1cccs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89560366,False
6408,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1cccc2c1Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8844221,False
6409,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.56179625,False
6410,O=C1N(CN2CCCC(C(F)(F)F)C2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.5265919,False
6411,O=C1N(c2cccc(OC(F)(F)F)c2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.21038519,False
6412,CC1(C)CC2CC(C1)N(CCN1CCN(c3cccc(F)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.63665885,False
6413,CC1CCN(C(=O)CN2CCN(c3cccc(OC(F)(F)F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.17761375,False
6414,COC(C)N1CCN(CCN2CCN(c3cccc(OC(F)(F)F)c3)CC2)C1=O,[*]N1CCN([*])C1=O,0.62757945,False
6415,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(C)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8881122,False
6416,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccc2scnc2c1,[*]N1CCN([*])C1=O,0.4163392,False
6417,O=C1N(CCOC2CCCC2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.56185853,False
6418,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc2cccnc12,[*]N1CCN([*])C1=O,0.50694907,False
6419,CC1(C)C2CCC1(N1CCN(CC3CCCN3)C1=O)CC2,[*]N1CCN([*])C1=O,0.31129706,False
6420,CCCCN(CCC)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7249705,False
6421,CCCN(C(C)C)C1COc2c(cccc2-c2cccc(C(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5813715,False
6422,Cc1cc(CNCCN2CCN(c3ccccn3)C2=O)on1,[*]N1CCN([*])C1=O,0.24508654,False
6423,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cscc1-c1ccccn1,[*]N1CCN([*])C1=O,0.83831364,True
6424,O=C1N(CN2CCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.63856333,False
6425,CC(=O)c1cccc(N2CCN(C3CCNCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.12289231,False
6426,CC(C)N1CCN(CCN2CCN(c3cccc4cccnc34)C2=O)CC1,[*]N1CCN([*])C1=O,0.7184578,False
6427,CN(C)Cc1cccc(N2CCN(CCN(C)CC3CCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.54869556,False
6428,CN(CCN1CCN(c2cccc(C(F)(F)F)c2)C1=O)Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.671685,False
6429,CN(Cc1cccc(Cl)c1)CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4559274,False
6430,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc2scnc12,[*]N1CCN([*])C1=O,0.6303227,False
6431,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cccc(-c2ccsc2)c1,[*]N1CCN([*])C1=O,0.7014399,False
6432,CC(C)N1CCN(CCN2CCN(c3ccccc3O)C2=O)CC1,[*]N1CCN([*])C1=O,0.70362204,False
6433,CCN(C(C)C)C1COc2c(cccc2C(=O)c2ccsc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.26039618,False
6434,COC(C)N1CCN(c2cccc3c2CCN(Cc2ccccc2)C3)C1=O,[*]N1CCN([*])C1=O,0.5129654,False
6435,COc1cccc2c1CN(CCN1CCN(c3ccc(C)c(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.6842733,False
6436,O=C1N(CCN2CCCCCC2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.89790857,True
6437,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1cccnc1,[*]N1CCN([*])C1=O,0.68081707,False
6438,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc(Cl)cc1F,[*]N1CCN([*])C1=O,0.6110963,False
6439,CC(C)OC1CCN(CN2CCN(c3ccc(Cl)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.51620615,False
6440,CC12CCC(CC(N3CCN(c4cccc(Cl)c4)C3=O)C1)C2,[*]N1CCN([*])C1=O,0.4113349,False
6441,CC1CCN(C(=O)CCN(Cc2ccccc2)C2COc3c(Br)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.2161726,False
6442,CN(C)Cc1csc(N2CCN(c3ccccc3CN3CCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.34273314,False
6443,COc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4OC)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6699152,False
6444,COCC1C2CC3CN(CN4CCN(c5ccccc5Cl)C4=O)C(C2)C31,[*]N1CCN([*])C1=O,0.26670754,False
6445,COc1ccc(Cl)cc1N1CCN(CN(C)Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.36731285,False
6446,O=C1N(CCN2CCCc3ccccc32)CCN1c1cccc(OCC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.4689728,False
6447,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.8455802,False
6448,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc(-c2ccsc2)c1,[*]N1CCN([*])C1=O,0.5940213,False
6449,O=C1N(c2cccc(Cl)n2)CCN1C1CCN(Cc2ccccc2)CC1,[*]N1CCN([*])C1=O,0.6691565,False
6450,CC1CCCN(CCN2CCN(c3ccc(Cl)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.6718947,False
6451,CN(Cc1cc2ccccc2o1)CN1CCN(Cc2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.2777116,False
6452,Cc1cc(N2CCN(CCN3CCc4ccccc43)C2=O)on1,[*]N1CCN([*])C1=O,0.41586718,False
6453,Nc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3COCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7602862,False
6454,O=C(NCC=CCN1CCN(Oc2ccccc2)CC1)c1ccc(-c2ccncc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.26062238,False
6455,O=C1N(CC2C3CCC2CNC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6382565,False
6456,O=C1N(c2ncccn2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.26754224,False
6457,CC(=O)n1ccc(N2CCN(C3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.12489789,False
6458,CC(C)N1CCN(CCN2CCN(c3cccc(Cl)c3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.7867732,False
6459,CC1(C)C2CCC1(N1CCN(CCN3CCNC3=O)C1=O)CC2,[*]N1CCN([*])C1=O,0.38759935,False
6460,CCN(C)C1COc2c(cccc2-c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.59547293,False
6461,COc1c(C(=O)NCCN2CCN(c3cccc(C)c3C)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.95113283,True
6462,O=C1N(CC2COCCN2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.23105156,False
6463,CCCCN(CC)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.631854,False
6464,CCN1CCN(c2cccc3cccnc23)C1=O,[*]N1CCN([*])C1=O,0.21342875,False
6465,CN(C)Cc1csc(N2CCN(c3cccc(C(F)(F)F)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.31857944,False
6466,CN(Cc1cc2ccccc2s1)CN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.3211433,False
6467,CN1CCCCC1CN1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.4812734,False
6468,COc1ccc(CC(=O)NCC=CCN2CCN(c3ccc(OCCF)cc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.27046517,False
6469,Cc1cscc1N1CCN(CCN2CCCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.3477778,False
6470,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.6487422,False
6471,CC(=O)NCC=CCN1CCN(c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.94961804,False
6472,CC(C)(C)c1cccc(N2CCN(CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6226381,False
6473,CCN(Cc1ccccc1)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6004783,False
6474,CN(CN1CCN(c2ccccc2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.57883966,False
6475,CN(Cc1cccc(Cl)c1)CN1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.3635405,False
6476,COc1ccc(Cl)cc1N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5765639,False
6477,CC(=O)n1ccc2c(N3CCN(CN4Cc5ccccc5C4)C3=O)cccc21,[*]N1CCN([*])C1=O,0.3541448,False
6478,CC(Cc1cccc(Cl)c1)N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.6327657,False
6479,CCN1CCCC1CNC(=O)c1c(Br)ccc(C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8500901,False
6480,CCOc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8944395,False
6481,CN(Cc1cccs1)CN1CCN(CCN2CCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.45523113,False
6482,O=C1N(c2ccccc2F)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.2494959,False
6483,COc1cc(Br)cc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9785494,False
6484,COc1ccc(N2CCN(CCOC3CCCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.5110572,False
6485,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc(-c2ccncc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8561873,False
6486,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc(Nc2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7582004,False
6487,O=C1N(CN2CCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7567518,False
6488,CC(C)N(CC1CCCN1C)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6256688,False
6489,CCCN(CCC)C1COc2c(cccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.83848786,False
6490,CN(C)Cc1cccc(N2CCN(CCCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7625292,False
6491,COC(C)C1CCN(CN2CCN(c3ccccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.5168421,False
6492,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4cccc(OCCF)c4)CC3)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3458406,False
6493,Cc1ccc(N2CCN(CCN3CCc4ccccc4N3)C2=O)cc1C,[*]N1CCN([*])C1=O,0.58628523,False
6494,O=C1N(Cc2cccc(F)c2)CCN1C1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.48988065,False
6495,CC(C)N1CCN(CCN2CCN(c3cccc(Cl)c3)CC2)C1=O,[*]N1CCN([*])C1=O,0.73183876,False
6496,CCN(C(C)C)C1COc2c(cccc2C(=O)OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.20850797,False
6497,CCN1CCCC1CNC(=O)c1c(OS)ccc(F)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.78549796,False
6498,CN1CCN(CN2CCN(C34CCC(C)(CC3)C4(C)C)C2=O)C1,[*]N1CCN([*])C1=O,0.403158,False
6499,Cc1cccc(N2CCN(CC=CCNC(=O)CNc3ccccc3)CC2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.41220537,False
6500,Cc1cccc(N2CCN(CC3(C)CCN(Cc4ccccc4)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.51388186,False
6501,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8330695,False
6502,O=C1N(CCN2CC3CCC(CC3)C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.7985585,False
6503,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.82520854,False
6504,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(C)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8952458,False
6505,Cc1ccc(N2CCN(CCOC3CCCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.42152786,False
6506,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc2c(c1)-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8021586,False
6507,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(-c2ncc[nH]2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8746036,False
6508,O=C1N(c2ccc(C(F)(F)F)s2)CCN1C1CCCN(Cc2ccccc2)C1,[*]N1CCN([*])C1=O,0.44826493,False
6509,CC(C)N1CCN(CCN2CCN(c3ccc(Cl)cc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.67540085,False
6510,CC1(C)C2CCC1(N1CCN(c3cccc(CN)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.38593766,False
6511,CC12CCC(N3CCN(CCN4C(=O)COc5ccccc54)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.3906294,False
6512,CN(C)c1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9382629,False
6513,O=C1Nc2ccccc2CN1CCN1CCN(c2ccccc2F)C1=O,[*]N1CCN([*])C1=O,0.5070335,False
6514,CC1CCN(CCN2CCN(c3cccc(CN(C)C)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8650966,False
6515,CCN(C)C1COc2c(cccc2-c2ccc(C)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.42444372,False
6516,COc1cccc2c1OCC(N(CCc1ccc(N(C)C)cc1)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.26777923,False
6517,COc1ccccc1N1CCN(C2CCC(NC(C)C)CC2)C1=O,[*]N1CCN([*])C1=O,0.16857952,False
6518,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccncc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82506144,False
6519,N#Cc1ccccc1N1CCN(CCN2Cc3ccccc3NC2=O)C1=O,[*]N1CCN([*])C1=O,0.49051458,False
6520,NC(=O)CCN(CCc1ccccc1)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4279568,False
6521,CC12CCC(N3CCN(C4CCCN4Cc4cccc(Cl)c4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.28988418,False
6522,CCCN(CCC)C1COc2c(cccc2-c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.8315926,False
6523,CN(Cc1ccccc1)CN1CCN(c2cccc3ccsc23)C1=O,[*]N1CCN([*])C1=O,0.31145483,False
6524,Nc1cc(C(=O)NCC=CCN2CCN(c3ccccn3)CC2)ccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45612252,False
6525,O=C1N(c2ccncc2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.3230088,False
6526,CC1(C)CCC2CN(CCN3CCN(c4ccccc4Cl)C3=O)C2C1,[*]N1CCN([*])C1=O,0.40038425,False
6527,CCCN(CCC)C1COc2c(cccc2-c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.73273414,True
6528,COc1cccc2c1CN(CCN1CCN(Cc3ccccc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.7044558,False
6529,Cc1cc(N2CCN(CC(=O)N3Cc4ccccc4C3)C2=O)on1,[*]N1CCN([*])C1=O,0.09135899,False
6530,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cocn1,[*]N1CCN([*])C1=O,0.82021993,False
6531,CC(CN1CCN(c2cccc(Cl)c2Cl)C1=O)NCc1ccccc1,[*]N1CCN([*])C1=O,0.26890785,False
6532,COCC1CC2CCC1N2CN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.59230924,False
6533,COc1ccc2[nH]cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4F)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70109165,False
6534,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccnc4ccccc34)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78061366,False
6535,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92278713,False
6536,O=C1N(CCOC2CCCC2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.5360468,False
6537,O=C1N(CCOC2CCCCN2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.6417908,False
6538,CC12CCC(N3CCN(c4cc(Cl)cc5c4OCO5)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.14000721,False
6539,COc1ccccc1N1CCN(C2CCNCC2)C1=O,[*]N1CCN([*])C1=O,0.26495108,False
6540,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1cccc2c1-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87478185,False
6541,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cccc(-c2cccc(O)n2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7212744,False
6542,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(F)c(F)c1Cl,[*]N1CCN([*])C1=O,0.5669673,False
6543,O=C1N(c2cccs2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.23332724,False
6544,CCCN(CCc1ccccc1)C1COc2c(cccc2-c2cc[nH]c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.786577,False
6545,CCN1CCCC1CNC(=O)c1c(O)ccc(C)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.75019985,False
6546,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(CNC(C)=O)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9627931,False
6547,COc1ccccc1N1CCN(CCN(C)Cc2cccs2)C1=O,[*]N1CCN([*])C1=O,0.5193716,False
6548,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.703813,False
6549,CCCN(CC)C1COc2c(cccc2Oc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.70203,False
6550,CCCN(CCC(=O)N1CCCCC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3029666,False
6551,CCN1CCC(N2CCN(c3cccnc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.53513485,False
6552,CN(Cc1cccs1)CN1CCN(C2CN(Cc3ccccc3)CCO2)C1=O,[*]N1CCN([*])C1=O,0.50931287,False
6553,O=C1N(CCN2CCCCC2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.6306988,False
6554,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(C(F)(F)F)cs1,[*]N1CCN([*])C1=O,0.87080663,False
6555,O=C1N(Cc2cccc(Cl)c2)CCN1Cc1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.32553834,False
6556,CC(=O)NCC=CCN1CCN(c2ccccc2OC(C)C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8965413,False
6557,CC(F)(F)c1cccc(N2CCN(CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.5959347,False
6558,CCCN(CCCN1C(=O)CC2(CCCN2C)C1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.59879375,False
6559,CCN1CCN(C(C)N2CCN(Cc3cccc(Cl)c3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.326145,False
6560,Cc1cc(CN(C)CCN2CCN(c3ccccc3Cl)C2=O)co1,[*]N1CCN([*])C1=O,0.3825704,False
6561,Cc1ccc(Cl)cc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8195731,False
6562,O=C1N(CCN2CCCC(O)C2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.48092282,False
6563,CN(C)Cc1csc(N2CCN(CCc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.3896784,False
6564,COc1cccc2c1OCC(N(CC1CCC1)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5903127,False
6565,Cc1ccc(N2CCN(CCN3CCCCCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.81662756,True
6566,Cc1cccc(C(=O)NCC=CCN2CCN(Cc3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.290388,False
6567,Cc1cccc(N2CCCCC2CN2CCN(c3ccccc3Cl)C2=O)c1,[*]N1CCN([*])C1=O,0.27102435,False
6568,Cc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.9025915,False
6569,O=C1N(CCN2CCc3ccccc32)CCN1c1cccc2cccnc12,[*]N1CCN([*])C1=O,0.4547517,False
6570,CC1(C)C2CCC1(N1CCN(CN3CCN(Cc4ccc(Cl)cc4)C3=O)C1=O)CC2,[*]N1CCN([*])C1=O,0.32236278,False
6571,CN(Cc1cc2ccccc2s1)CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.37227207,False
6572,COC(C)N1CCN(CCN2CCN(c3cccc(Cl)c3)CC2)C1=O,[*]N1CCN([*])C1=O,0.7250814,False
6573,COCC1C2CCC1CN(CCN1CCN(c3cccc(Cl)n3)C1=O)C2,[*]N1CCN([*])C1=O,0.62941134,False
6574,NC(=O)c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.964598,False
6575,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Oc2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93695754,False
6576,O=C1N(c2ccsc2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.24487771,False
6577,CC1CCN(C(=O)CCN(CCc2ccccc2)C2COc3c(F)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.28809008,False
6578,CN(CN1CCN(c2cccc(F)c2)C1=O)CC12CCC1CC2(C)C,[*]N1CCN([*])C1=O,0.654734,False
6579,COc1cccc(Cl)c1CN1CCN(C(C)OC)C1=O,[*]N1CCN([*])C1=O,0.3006507,False
6580,Nc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8040957,False
6581,O=C1N(CN2Cc3ccccc3C2)CCN1c1cncc(-c2ccccc2)c1,[*]N1CCN([*])C1=O,0.51862395,False
6582,O=C1N(c2cccc(Cl)n2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.297419,False
6583,CCCN(CCCN1C(=O)CN(c2ccccc2)C1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.66238505,False
6584,CN(Cc1cccc(Cl)c1)CN1CCN(c2cccc3c2OCO3)C1=O,[*]N1CCN([*])C1=O,0.28346288,False
6585,CN1CCCCC1N1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5384545,False
6586,COc1cccc(C2CCCN(CN3CCN(c4ccccc4Cl)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.50312227,False
6587,O=C1N(CCN2CCCCCC2)CCN1c1cc(Cl)ccn1,[*]N1CCN([*])C1=O,0.6263651,False
6588,CC(=O)c1cccc(N2CCN(CN(C)Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.22147667,False
6589,CC(C)N1CCN(CC(C)N2CCN(c3ccccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.42655674,False
6590,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4cccc(F)c4F)CC3)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6719618,False
6591,N#Cc1cccc(N2CCN(C3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.46413767,False
6592,O=C1Nc2ccccc2CN1CCN1CCN(c2ccc3ccoc3c2)C1=O,[*]N1CCN([*])C1=O,0.6129889,False
6593,CC1CCCN(CCN2CCN(c3cccc(F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.74826115,False
6594,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96326876,False
6595,COc1cccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.8354306,False
6596,Cc1cc(CN2CCN(c3ccc(Cl)cc3)C2=O)sn1,[*]N1CCN([*])C1=O,0.15612154,False
6597,O=C1N(CC2CCC3Cc4ccccc4CN3C2)CCN1c1cccc(Cl)n1,[*]N1CCN([*])C1=O,0.4797341,False
6598,CC(C)N1CCC(CN2CCN(c3ccccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.3231288,False
6599,O=C(Cc1ccccc1)N1CCN(C2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.14231509,False
6600,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cc(F)ccc1[N+](=O)[O-],[*]C(=O)NCC=CCN1CCN([*])CC1,0.87560993,False
6601,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9124809,False
6602,O=C1N(CCN2Cc3ccccc32)CCN1c1ccc(C(F)(F)F)s1,[*]N1CCN([*])C1=O,0.5135715,False
6603,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc(F)c(Cl)cc1F,[*]N1CCN([*])C1=O,0.8911321,False
6604,CC(C)N1CCN(CCN2CCN(Cc3cc(F)ccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.6123061,False
6605,CCN1CCC(N2CCN(c3ccc(F)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6039569,False
6606,CCN1CCCC1CNC(=O)c1c(NC)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.84845746,False
6607,CCN1CCN(Cc2ccccc2)CC1N1CCN(Cc2cccc(OC)c2)C1=O,[*]N1CCN([*])C1=O,0.43331617,False
6608,O=C1N(CC2CCCCC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.3759866,False
6609,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(Cl)c(F)c1F,[*]N1CCN([*])C1=O,0.59901273,False
6610,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.5358163,False
6611,O=C1N(Cc2ccccc2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.3661414,False
6612,CC(C)N1CCN(CCN2CCN(c3ccc(OC(C)(C)C)s3)C2=O)CC1,[*]N1CCN([*])C1=O,0.67992496,False
6613,CCN1CCCC1CNC(=O)c1c(Cl)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.89685816,False
6614,COc1ccc(OC)c(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8871496,False
6615,COc1cccc(N2CCN(CC3COCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.4371018,False
6616,O=C1N(CC2CCCNC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6614472,True
6617,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc2sccc12,[*]N1CCN([*])C1=O,0.82105196,False
6618,CCCN(C)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51368654,False
6619,CN(Cc1cccs1)CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.3603176,False
6620,COC1Cc2ccccc2N(CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.6767032,False
6621,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4C)CC3)oc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5579858,False
6622,N#Cc1cc(N2CCN(CCN3CCCc4ccccc43)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.50870544,False
6623,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.8970321,True
6624,CCc1ccc(Cl)c(OC)c1C(=O)NCC1CCCN1CC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.59661025,False
6625,COc1ccccc1N1CCN(CCN(C)CC23CCCC(C)(C2)C3(C)C)C1=O,[*]N1CCN([*])C1=O,0.5103204,False
6626,Cc1cccc(N2CCN(CCN3CCCCc4ccoc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.5923313,False
6627,O=CC(=O)NCC=CCN1CCN(c2ccccc2C=O)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.74397457,False
6628,CCCN(CC(C)=O)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.566009,False
6629,CCN(C)CCN1CCN(c2cccs2)C1=O,[*]N1CCN([*])C1=O,0.46564767,False
6630,COc1c(F)cccc1N1CCN(CC=CCNC(=O)c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6734298,False
6631,N#Cc1ccc(Cl)cc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.79417074,False
6632,O=C1N(CC2COCCN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.48812944,False
6633,O=C1N(CCN2CCCCCC2)CCN1c1ccc(O)cc1,[*]N1CCN([*])C1=O,0.66909873,False
6634,O=C1N(c2cccc(CN3Cc4ccccc4C3)c2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.6173012,False
6635,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3OC)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8250655,False
6636,CCCN(CC1CC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71887875,False
6637,CN1CCCCC1N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5201371,False
6638,Cc1ccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)o1,[*]N1CCN([*])C1=O,0.57176524,False
6639,O=C1N(CC2CCN(Cc3cccc(F)c3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7426213,False
6640,CC1(C)CC2CN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC21C,[*]N1CCN([*])C1=O,0.84700364,False
6641,CCCN(CC)C1COc2c(cccc2OS(=O)(=O)C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6716313,False
6642,Cc1csc(N2CCN(CCN3Cc4ccccc4C3)C2=O)n1,[*]N1CCN([*])C1=O,0.7884717,False
6643,CC(c1ccccc1)N1CCN(CCN2CCc3ccccc3N2)C1=O,[*]N1CCN([*])C1=O,0.52475953,False
6644,CC(c1ccccc1)N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5336235,False
6645,COc1c(Cl)ccc(Cl)c1C(=O)NCC1CCCN1C,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.27024704,False
6646,Cc1ccc(N2CCN(CCN(C)C)C2=O)cc1,[*]N1CCN([*])C1=O,0.4221906,False
6647,O=C1N(CCN2CCCC(C(F)(F)F)C2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.70725006,False
6648,O=C1N(c2cccc(-c3cccs3)c2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.22497834,False
6649,CN(C)Cc1csc(N2CCN(Cc3ccc4c(c3)NC(=O)CO4)C2=O)c1,[*]N1CCN([*])C1=O,0.25093138,False
6650,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccc(-c4ccccn4)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7834183,False
6651,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1c[nH]c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.59248877,False
6652,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1cncc2ccccc12,[*]N1CCN([*])C1=O,0.629482,False
6653,O=C1N(c2cccc(CN3Cc4ccccc4C3)c2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.43191117,False
6654,CC12CCCC(C)(C1)N(CCN1CCN(c3ccccc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.40198934,False
6655,CN(C)Cc1csc(N2CCN(c3cccc4ccccc34)C2=O)c1,[*]N1CCN([*])C1=O,0.3184995,False
6656,O=C1N(CC2CCC3Cc4ccccc4CN3C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.56704825,False
6657,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc(F)c1Cl,[*]N1CCN([*])C1=O,0.85598814,False
6658,O=C1N(Cc2ccc(Cl)cc2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.6029756,False
6659,CC(C)N1CCN(CCN2CCN(c3ccc(F)c(F)c3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.67241746,False
6660,CN(Cc1cccc(Cl)c1)CN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.4120119,False
6661,Cc1cccc(N2CCN(CCN3CCCC(C)C3)C2=O)c1,[*]N1CCN([*])C1=O,0.7445372,False
6662,Cc1cccc(N2CCN(CCN3CCCc4sccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.68590146,False
6663,O=C1N(CC2CCCCC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.4178194,False
6664,O=C1N(CN2CCN(c3ccccc3)CC2)CCN1c1cccc2ncsc12,[*]N1CCN([*])C1=O,0.32838637,False
6665,CC1(C)C2CC(N3CCN(c4ccc5c(c4)OCO5)C3=O)N(CCF)CC1C2,[*]N1CCN([*])C1=O,0.3356914,False
6666,CCN(CCC(=O)N1CCC(C)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.20324083,False
6667,CN1CCCC(CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.6899456,False
6668,O=C1N(C2CCC2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.24438088,False
6669,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.8490412,False
6670,O=C1N(CN2CCCc3sccc3C2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.4095855,False
6671,COc1cccc2c1CN(CCN1CCN(Cc3cccc(C(F)(F)F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.71272355,False
6672,COc1ccccc1N1CCN(CCN(C)CC23CCC(CC2)C3(C)C)C1=O,[*]N1CCN([*])C1=O,0.6027676,False
6673,O=C1N(CC2CCCCN2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.44877657,False
6674,O=C1N(CCN2CCCc3ccccc32)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.36182106,False
6675,CC(C)N1CCN(CCN2CCN(c3ccc(F)c(C#N)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.80362743,True
6676,CC(C)N1CCN(CN2CCN(c3cccc(Cl)c3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.5408446,False
6677,CC(CN1CCN(c2cccc3ncsc23)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.20541826,False
6678,CCCN(C)C1COc2c(cccc2C(=O)c2ccc(Br)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48993525,False
6679,O=C1N(CCN2CCC3CCC32)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.3601466,False
6680,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cccc2ncccc12,[*]N1CCN([*])C1=O,0.44557902,False
6681,O=C1N(Cc2ccccc2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.35744184,False
6682,CCN(CC)C1COc2c(cccc2-c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.60559094,False
6683,CCN(CCC(=O)N1CCN(c2ccc(F)c(F)c2)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.1895675,False
6684,COc1ccccc1N1CCN(CCN2Cc3ccccc3CC2CF)C1=O,[*]N1CCN([*])C1=O,0.42042595,False
6685,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc2nccnc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67686737,False
6686,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc(-c2ccccc2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81251544,False
6687,O=C1N(CCN2CCCCC2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.49308556,False
6688,O=C1N(CCN2CCc3ccccc3N2)CCN1Cc1cccs1,[*]N1CCN([*])C1=O,0.5826982,False
6689,CC1(C)CC2CC(C)(CN2CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.86803955,True
6690,COc1cccc(CN2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.73926365,False
6691,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8549511,False
6692,O=C1N(CC2COCCN2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.314798,False
6693,CC(C)N1CCN(CCN2CCN(c3ccc(F)c(Cl)c3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.6342314,False
6694,COc1ccc2cccc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84604037,False
6695,COc1cccc(CN2CCN(CN3CCN(Cc4ccccc4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.5970191,False
6696,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9740301,True
6697,O=C1N(CC2CCCCN2)CCN1c1ccc(F)cc1Cl,[*]N1CCN([*])C1=O,0.36594027,False
6698,O=C1N(CCOC2CCCC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.5740411,False
6699,O=C1Nc2ccccc2CN1CCN1CCN(c2ccc(Cl)s2)C1=O,[*]N1CCN([*])C1=O,0.5748501,False
6700,CC(N1CCN(CCN2Cc3ccccc3C2)C1=O)N1CCC2CCCC21,[*]N1CCN([*])C1=O,0.6480699,False
6701,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4F)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.719686,False
6702,COc1cccc(C2CCCN(CN3CCN(c4cccc(Cl)c4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.6650033,False
6703,Nc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91199976,False
6704,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.3456236,False
6705,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc2cccnc2c1,[*]N1CCN([*])C1=O,0.72092855,False
6706,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccccc1OC(F)(F)F,[*]N1CCN([*])C1=O,0.5468037,False
6707,CCCCN(CCC)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.71915895,False
6708,CN(C)Cc1csc(N2CCN(CC3CCCN3Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.33600232,False
6709,COc1cccc(N2CCN(CCN(C)Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.71092093,False
6710,COc1ccccc1CN(C(C)=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.2384569,False
6711,Cc1cccc(N2CCN(CN3CCC(C(F)(F)F)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.637791,False
6712,O=C1N(CC2CCc3ccsc3CC3CCCN32)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.38240847,False
6713,CC12CCC(CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.7945377,True
6714,Cc1cc(N2CCN(CCN3CCc4ccccc4C3)C2=O)ns1,[*]N1CCN([*])C1=O,0.6779727,False
6715,Cc1ccc(N2CCN(CC3CCCCN3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.47371852,False
6716,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(F)c(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.89351135,False
6717,O=C1N(Cc2ccccc2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.58153516,False
6718,O=C1N(c2cccc(F)c2)CCN1C1CN2CCCC1CC2,[*]N1CCN([*])C1=O,0.22796915,False
6719,CC1(C)C2CCC3(CC2)CN(CN2CCN(c4cccc(Cl)c4)C2=O)C31,[*]N1CCN([*])C1=O,0.628696,False
6720,CCCN1CCN(CCN2CCN(c3ccccc3OC)C2=O)CC1,[*]N1CCN([*])C1=O,0.6649864,False
6721,COc1cccc(N2CCN(C(C)OC)C2=O)c1,[*]N1CCN([*])C1=O,0.17137228,False
6722,O=C1N(CCN2CCC(c3cccc(F)c3)C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8853867,False
6723,O=C1N(CCN2CCCCCC2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.8111279,True
6724,CCCN(C(C)=O)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5357767,False
6725,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)CC1(C)C2CCC1CC2,[*]N1CCN([*])C1=O,0.78914976,False
6726,CN(Cc1cc2ccccc2s1)CN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.38061714,False
6727,COc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8238276,False
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6729,O=C1N(CCN2C3CCCC2CC3)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.49887195,False
6730,CC1(C)C2CCC1N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.73907006,False
6731,CC12CCCC3(C)C(C1)N(CCN1CCN(c4cccc(Cl)c4)C1=O)CCC23,[*]N1CCN([*])C1=O,0.8107963,False
6732,CN1CC(CN2CCN(c3cccc(Cl)c3)C2=O)CC(C)(C)C1,[*]N1CCN([*])C1=O,0.6819455,False
6733,COc1cccc(N2CCN(CCN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.9095353,True
6734,O=C1N(CCN2CC3CCC2Cc2ccccc2C3)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.61633694,False
6735,O=C1N(CCOC2CCCC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.42717898,False
6736,CCC12CCC(CN(CCN3CCN(c4ccccc4Cl)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.49938145,False
6737,COc1ccc(CN(C(C)=O)C2COc3c(cccc3OC)C2)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.26129413,False
6738,O=C1N(CCN2CC3CCC(C3)C2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.5015927,False
6739,O=C1N(CCN2CCc3ccccc3C2)CCN1c1snc2ccccc12,[*]N1CCN([*])C1=O,0.6964939,False
6740,O=C1N(CN2Cc3ccccc3C2)CCN1c1csc2ncccc12,[*]N1CCN([*])C1=O,0.49742216,False
6741,CN(C)c1cccc(C(=O)NCC=CCN2CCN(c3cccc(C(F)(F)F)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85811776,False
6742,CN(CCN1CCN(c2cccc(F)c2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.80657685,False
6743,COc1c(N2CCN(CN3Cc4ccccc4C3)C2=O)ccc2ccccc12,[*]N1CCN([*])C1=O,0.45450598,False
6744,COc1ccccc1N1CCN(CC=CCNC(=O)Cc2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8324717,False
6745,Cc1ccc(N2CCN(CN(C)CC34CCC3CC4(C)C)C2=O)cc1,[*]N1CCN([*])C1=O,0.46775174,False
6746,O=C1N(c2cccc3ccsc23)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.24839108,False
6747,CC1CCCN(CCN2CCN(c3cc(Cl)ccc3F)C2=O)C1,[*]N1CCN([*])C1=O,0.539387,False
6748,CCCN(C(C)C)C1COc2c(cccc2C(=O)c2ccc(Cl)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40006927,False
6749,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4cccc(C)c4Cl)CC3)oc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70076656,False
6750,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Cl)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9612828,False
6751,Nc1cccc(CC(=O)NCC=CCN2CCN(c3cccc(OCCF)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.30649215,False
6752,O=C1N(CCN2C3CCCC2CC3)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.39324838,False
6753,CN1CCCCC1N1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.32012397,False
6754,COc1cccc(N2CCN(C3CCCNC3)C2=O)c1,[*]N1CCN([*])C1=O,0.2256796,False
6755,Cc1ccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.69300455,False
6756,Cc1cccc(N)c1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83587646,False
6757,O=C1N(CC2COCCN2)CCN1c1cccc(-c2ccccc2)c1,[*]N1CCN([*])C1=O,0.36843398,False
6758,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(-c2ccncc2)c1,[*]N1CCN([*])C1=O,0.6877356,False
6759,O=C1N(CCN2CCc3ccccc3C2)CCN1c1nccs1,[*]N1CCN([*])C1=O,0.7045941,False
6760,O=C1N(CCN2Cc3ccc(F)cc3C2)CCN1c1cccc2ncsc12,[*]N1CCN([*])C1=O,0.5253096,False
6761,O=C1N(c2ccccc2Cl)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.22586027,False
6762,CC(C)(C)N1CCN(CCN2CCCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.4689872,False
6763,CC(CN1CCN(c2ccc(Cl)cc2Cl)C1=O)N1CCN(Cc2ccccc2)CC1,[*]N1CCN([*])C1=O,0.52021545,False
6764,CN1CCCN(CCN2CCN(c3ccccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.60774857,False
6765,Cc1ccc(N2CCN(CN3Cc4ccccc4C3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.5282192,False
6766,O=C1N(CCN2CCCc3ccccc32)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.5258369,False
6767,CC1(C)C2CCC13CCC(C2)N3CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.76158285,False
6768,CN(Cc1cccs1)CN1CCN(c2ccccc2CN2CCC2)C1=O,[*]N1CCN([*])C1=O,0.4381076,False
6769,CN1CCCCC1CN1CCN(c2ccc(Cl)cc2Cl)C1=O,[*]N1CCN([*])C1=O,0.3890565,False
6770,Cc1cc(CN(C)CCN2CCN(c3ccccc3Cl)C2=O)on1,[*]N1CCN([*])C1=O,0.39440092,False
6771,O=C1N(C2CCCCN2)CCN1C1COCN1,[*]N1CCN([*])C1=O,0.23454638,False
6772,CCCN(C)C1COc2c(cccc2-c2ccc(O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6477967,False
6773,CCCN(CCC)C1COc2c(cccc2-c2ccc(S(C)(=O)=O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6178116,False
6774,COCC1C2CCC1CN(CCN1CCN(c3ccc(Cl)cc3)C1=O)C2,[*]N1CCN([*])C1=O,0.6655979,False
6775,Cc1cccnc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.91113746,True
6776,CC(=O)N1CCCCC1CN(C(C)C)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.25441566,False
6777,CC(C)N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.708742,False
6778,COc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79633945,False
6779,Cc1cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)ccc1Cl,[*]N1CCN([*])C1=O,0.86319077,False
6780,Cc1ccc(N2CCN(CCN3CCc4ccccc4N3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.5725749,False
6781,O=C1N(CN2Cc3ccccc3C2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.5539813,False
6782,COc1cccc(N2CCN(CCN3CCN(C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.85994524,False
6783,Cc1ccc(N2CCN(CN(C)Cc3ccccc3)C2=O)cn1,[*]N1CCN([*])C1=O,0.2554726,False
6784,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1ccc(-c2ccccc2)s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8412062,False
6785,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(O)c2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96183056,False
6786,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cscc1-c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.8267794,False
6787,O=C1N(CCOC2CCNC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.4877415,False
6788,CCN(CCN1CCN(c2ccnc3ccccc23)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.81334156,False
6789,CN(Cc1ccccc1)CN1CCN(c2cccc(Cl)n2)C1=O,[*]N1CCN([*])C1=O,0.32078707,False
6790,Cc1ccc(N2CCN(CCN3CCOCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.40117174,False
6791,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.49619362,False
6792,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2cccs2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9621077,False
6793,O=C1N(CCN2CCc3ccccc3N2)CCN1Cc1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5949143,False
6794,C#CCN(CCC)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.68707436,False
6795,CC(Cc1cccc(Cl)c1)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7158316,False
6796,CCN(CCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5451384,False
6797,COC(=O)N1CCN(CCN2CCN(c3cccc(Cl)c3)CC2)C1=O,[*]N1CCN([*])C1=O,0.6197665,False
6798,COc1ccc2cc(C(=O)NCC=CCN3CCN(CCOc4ccccc4)CC3)ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2272357,False
6799,CCCCN(CCC)C1COc2c(cccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.74810505,False
6800,COc1c(C(=O)NCCN2CCN(c3ccccc3Cl)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.9090045,True
6801,Cc1ccc(CN2CCN(CN3Cc4ccccc4C3)C2=O)s1,[*]N1CCN([*])C1=O,0.5052187,False
6802,O=C1N(CCN2CC3CCC2CC3)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8642665,False
6803,O=C1N(CCN2CCCc3ccccc32)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.41743457,False
6804,CC1(C)CCCN(CCN2CCN(c3cccc(Cl)c3F)C2=O)C1,[*]N1CCN([*])C1=O,0.58495945,False
6805,CCCN(CCCN(C)C)C1COc2c(cccc2-c2cccc(C(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.69457525,False
6806,CN1CCCCC(N2CCN(c3ccc(F)c(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.35434008,False
6807,O=C(NCC=CCN1CCN(c2cccc(F)c2F)CC1)c1ccc2cc[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6747499,False
6808,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.46091676,False
6809,O=C1N(Cc2ccccc2Cl)CCN1Cc1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.3362929,False
6810,O=C1N(c2ccccc2)CCN1C1CCNCC1,[*]N1CCN([*])C1=O,0.3592612,False
6811,CC(=O)NCC=CCN1CCN(c2cccc(C)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38175592,False
6812,CC1CCN(C(=O)CCN(C)C2COc3c(O)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.27066073,False
6813,CN(Cc1ccccc1)CN1CCN(c2cc(Cl)cc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.41609082,False
6814,Cc1ccc(N2CCN(CN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.52357787,False
6815,O=C(c1cccc(Cl)c1)N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.43719193,False
6816,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cncc(Cl)c1,[*]N1CCN([*])C1=O,0.7533803,False
6817,CC(C)N1CCC(CN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1,[*]N1CCN([*])C1=O,0.3959608,False
6818,CCCN(CC)C1COc2c(cccc2C(=O)OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49874443,False
6819,COC(C)N1CCN(C2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.39212096,False
6820,Cc1nc2cc(N3CCN(CCN4CCc5ccccc5C4)C3=O)ccc2s1,[*]N1CCN([*])C1=O,0.6941905,False
6821,N#Cc1ccccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8152815,False
6822,O=C1N(CCN2CCCCCC2)CCN1c1ccc(Cl)cn1,[*]N1CCN([*])C1=O,0.68525654,False
6823,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.41735855,False
6824,CCN(CCO)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.507547,False
6825,CN(CCN1CCN(c2cccc(Cl)c2)C1=O)Cc1cccs1,[*]N1CCN([*])C1=O,0.7974742,False
6826,Cc1nc2cccc(N3CCN(CCN4CCc5ccccc5C4)C3=O)c2s1,[*]N1CCN([*])C1=O,0.57478,False
6827,O=C(NCC=CCN1CCN(Cc2ccccc2OCCF)CC1)c1c[nH]c2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3363715,False
6828,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cccc(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7575424,False
6829,O=C1N(CCN2CCc3ccccc3C2)CCN1c1c(F)cccc1Cl,[*]N1CCN([*])C1=O,0.7326723,False
6830,CC(=O)n1cc(N2CCN(CCN3Cc4ccccc4NC3=O)C2=O)c2ccccc21,[*]N1CCN([*])C1=O,0.31801134,False
6831,CC(c1ccc2ccccc2c1)N1CCN(CCN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1,[*]N1CCN([*])C1=O,0.5480921,False
6832,COc1cccc(CN2CCN(C3CN(C)CCN3Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.42692643,False
6833,Cc1snc2cc(N3CCN(CCN4Cc5ccccc5C4)C3=O)ccc12,[*]N1CCN([*])C1=O,0.835174,False
6834,Cc1cccc(N2CCN(CC=CCNC(=O)c3ncc4ccccc4n3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.78054196,False
6835,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1ccc(-c2ncc[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8574705,False
6836,O=C1N(CC2NCCc3ccccc32)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.60643226,False
6837,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.7322635,False
6838,O=C1Nc2ccccc2CN1CCN1CCN(c2cccc(Cl)c2Cl)C1=O,[*]N1CCN([*])C1=O,0.50483453,False
6839,CC1CCN(CCN2CCN(c3ccccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.7584824,False
6840,CCCCc1ccc(OC)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8381153,False
6841,COc1ccc(N2CCN(CCN3CCCCCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.78002816,False
6842,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccc(O)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9492733,False
6843,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc2scnc2c1,[*]N1CCN([*])C1=O,0.66750157,False
6844,CN(C)Cc1csc(CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.4427725,False
6845,COc1ccccc1N1CCN(c2cccc(CN3Cc4ccccc4C3)c2)C1=O,[*]N1CCN([*])C1=O,0.56562954,False
6846,C[N+]c1ccccc1C(=O)NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8417269,False
6847,O=C1N(CC2COCCN2)CCN1c1ccc(Cl)cn1,[*]N1CCN([*])C1=O,0.22772159,False
6848,O=C1N(CCN2CCc3ccccc32)CCN1c1cccc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.5684124,False
6849,O=C1N(COCC2CCNCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6334726,False
6850,CN1CCN(CCN2CCN(c3ccc(Cl)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.70620334,False
6851,N#Cc1cccc(N2CCN(CC3COCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.40526733,False
6852,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ncc[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9630745,True
6853,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cc2ccccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8090949,False
6854,O=C1N(CCN2CC3CCCC2CC3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.4786777,False
6855,O=C1N(CCN2CCCCCC2)CCN1c1cccc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.8929467,False
6856,O=C1N(CCN2CCc3ccccc32)CCN1c1cccc2ncsc12,[*]N1CCN([*])C1=O,0.4082136,False
6857,CC(Cc1cccc(Cl)c1)N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5047735,False
6858,CC1(C)C2CCC1(N1CCN(Cc3cccc4ccccc34)C1=O)CC2,[*]N1CCN([*])C1=O,0.34370515,False
6859,Cc1cc(CN2CCN(CN(C)Cc3ccccc3)C2=O)on1,[*]N1CCN([*])C1=O,0.23079428,False
6860,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8549433,False
6861,O=C1N(CCN2CCN(C3CCCCC3)CC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.6520754,False
6862,CC1(C)C2CCC1(N1CCN(Cc3cccc(F)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.3282873,False
6863,CN(C)Cc1csc(N2CCN(CC3NCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.48124307,False
6864,CN1CCN(c2cccc(CN3Cc4ccccc4C3)c2)C1=O,[*]N1CCN([*])C1=O,0.6729896,False
6865,COC(C)N1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.17829949,False
6866,Cc1ccc(N2CCN(CCN3CCc4ccccc4N3)C2=O)nc1,[*]N1CCN([*])C1=O,0.49395362,False
6867,O=C1N(CC2CCCCN2)CCN1n1cccc1,[*]N1CCN([*])C1=O,0.45352367,False
6868,O=C1N(CN2CCc3ccccc3C2)CCN1c1cccc2ncsc12,[*]N1CCN([*])C1=O,0.43629688,False
6869,CN(Cc1cccc(Cl)c1)CN1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.42556494,False
6870,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccn3[N+](=O)[O-])CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.69892746,False
6871,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc(F)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8830918,False
6872,O=C1N(c2cccc(C(F)(F)F)c2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.26308382,False
6873,O=C1Nc2ccccc2CN1CCN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.68969333,False
6874,O=C1Nc2ccccc2CN1CCN1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.58475506,False
6875,CC1(C)CC2CC(CN2CCN2CCN(c3ccc4c(c3)OCO4)C2=O)C1(C)C,[*]N1CCN([*])C1=O,0.38957843,False
6876,Nc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81905425,False
6877,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccc(F)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9749671,False
6878,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.8199257,False
6879,CC1(C)C2CCC1(N1CCN(C3CCCNC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.23599254,False
6880,COc1cccc(CN2CCN(c3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.31932715,False
6881,Cc1csc(N2CCN(CCN3Cc4ccc(Cl)cc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.647608,False
6882,O=C1N(CCN2Cc3ccccc3Cc3ccccc32)CCN1c1ccc(C(F)(F)F)s1,[*]N1CCN([*])C1=O,0.49942854,False
6883,CN1C2CCCC1N(CCN1CCN(c3ccccc3Cl)C1=O)C2,[*]N1CCN([*])C1=O,0.41094908,False
6884,COC(C)N1CCN(CC2NCCc3ccc(Cl)cc32)C1=O,[*]N1CCN([*])C1=O,0.4713734,False
6885,COc1cccc(N2CCN(CCN3CCC(C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8905969,False
6886,O=C1N(Cc2ccc3c(c2)COCC3)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.53712595,False
6887,CCCN(CC1CC1)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.710314,False
6888,CCN(CCC(=O)N1CCC(C)CC1)C1COc2c(C=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.21537249,False
6889,Cc1cccc(N2CCN(C34CCC(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.27112615,False
6890,O=C1N(CC2CC(OCc3ccccc3)N2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.57523614,False
6891,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.48976973,False
6892,CC(C)(C)N1CCN(CCN2CCc3ccccc3N2)C1=O,[*]N1CCN([*])C1=O,0.57151884,False
6893,CC(C)N1CCN(CCN2CCN(C(F)(F)F)C2=O)CC1,[*]N1CCN([*])C1=O,0.57137567,False
6894,COc1ccccc1CN1CCN(c2cccc(CN3Cc4ccccc4C3)c2)C1=O,[*]N1CCN([*])C1=O,0.60539687,False
6895,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.7231271,False
6896,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(C(F)(F)F)cc1,[*]N1CCN([*])C1=O,0.921171,False
6897,O=C1N(CN2Cc3ccccc3C2)CCN1c1cscc1-c1ccncc1,[*]N1CCN([*])C1=O,0.54706275,False
6898,CC(C)N1CCN(CCN2CCN(c3ccc(F)cc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.603945,False
6899,CCCN(CC)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7238436,False
6900,CCCN(CC)C1COc2c(cccc2C(=O)Oc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5228872,False
6901,CCNc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8161729,False
6902,Cc1ccc(N2CCN(CCN3CCCc4ccccc43)C2=O)cc1C,[*]N1CCN([*])C1=O,0.39172196,False
6903,O=C1N(CCN2CCc3ccccc3C2)CCN1CC(=O)n1ccc2ccccc21,[*]N1CCN([*])C1=O,0.4750598,False
6904,CN(CCO)C1COc2c(cccc2-c2cccc(OC(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3621996,False
6905,COC(C)N1CCN(CCN2CCN(Cc3cccc(Cl)c3)CC2)C1=O,[*]N1CCN([*])C1=O,0.5791621,False
6906,Cc1ccc(N2CCN(C3CCCCN3)C2=O)cn1,[*]N1CCN([*])C1=O,0.1756496,False
6907,O=C(NCC=CCN1CCN(Cc2cccc(Cl)c2Cl)CC1)c1cccs1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.37305963,False
6908,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc2c(c1)-c1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8573951,False
6909,O=C1N(c2ccc3ccccc3c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.28532445,False
6910,CC(C)N1CCN(CCN2CCN(c3ccccn3)C2=O)CC1,[*]N1CCN([*])C1=O,0.76474726,False
6911,CN(C)CCN1CCN(Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.43192744,False
6912,COc1ccc2c(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)c[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7201964,False
6913,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c3ccccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92429465,False
6914,O=C1N(CCN2CCCC(O)C2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.6809537,False
6915,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.91545117,True
6916,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cncc(F)c1,[*]N1CCN([*])C1=O,0.8196246,False
6917,CC1(C)CC2CCC1(C)CN2CCN1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.50617224,False
6918,CC1CCCN(CCN2CCN(c3cccc(Cl)n3)C2=O)C1,[*]N1CCN([*])C1=O,0.53248054,False
6919,O=C1N(CCN2CC3CCCC2C3)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.5225032,False
6920,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.5427446,False
6921,O=C1N(CN2CCCc3ccccc32)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.38817906,False
6922,O=C1N(CNCC2CCCC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.23522879,False
6923,O=C1N(c2ccncc2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.26000598,False
6924,CN(C)CCN1CCN(c2cccc3c2OCO3)C1=O,[*]N1CCN([*])C1=O,0.42606,False
6925,CN(Cc1cccs1)CN1CCN(C(=O)N2CCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.1086723,False
6926,CN1CC2CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C2C1,[*]N1CCN([*])C1=O,0.63161165,False
6927,Cc1ccc(N2CCN(CCN3CCc4ccccc43)C2=O)o1,[*]N1CCN([*])C1=O,0.32558906,False
6928,N#Cc1cc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)cc(F)c1F,[*]N1CCN([*])C1=O,0.7657982,False
6929,CC1(C)C2CCC1(N1CCN(CN3CCN(Cc4ccccc4Cl)CC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.47779283,False
6930,CC1Cc2ccccc2N1C(=O)CN1CCN(CN(C)Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.30153245,False
6931,CCCN(CCC)C1COc2c(cccc2-c2cc(C)cs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7295265,False
6932,Cc1ncccc1N1CCN(CCN2CCCCCC2)C1=O,[*]N1CCN([*])C1=O,0.6510844,False
6933,Nc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(CF)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88365823,False
6934,CCCN(CC)C1COc2c(cccc2C(=O)c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.47727406,False
6935,CCCN(CCCN(C)C)C1COc2c(cccc2-c2ccc(O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6508943,False
6936,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c3cc(O)ccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96310914,False
6937,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc(-c2ncc[nH]2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.81809956,False
6938,O=C1N(Cc2ccc(F)cc2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.61872965,False
6939,COCC1CCC(NCN2CCN(c3ccccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.32672864,False
6940,COc1c(SC)ccc(C)c1C(=O)NCC1CCCN1CCc1ccccc1,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.4458767,False
6941,COc1cccc(N2CCN(CC(C)N3CCN(C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.46184617,False
6942,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(OC)c3c2Cc2ccccc2C3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7533145,False
6943,O=C1N(CCN2CCCc3ccccc32)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.5083919,False
6944,CCN1CCN(CCN2CCN(c3cccc(Cl)c3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.6631333,False
6945,Cc1cccc(N2CCN(CC=CCNC(=O)c3cc(Br)ccc3C)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3351115,False
6946,O=C1N(CCN2CCc3ccccc3N2)CCN1c1ccccc1OC(F)(F)F,[*]N1CCN([*])C1=O,0.5218754,False
6947,O=C1N(CN2Cc3ccccc3C2)CCN1c1nc2ccccc2s1,[*]N1CCN([*])C1=O,0.54494554,False
6948,CC(=O)N1CCN(CCN2Cc3ccccc3NC2=O)C1=O,[*]N1CCN([*])C1=O,0.3377939,False
6949,CCCN(CCC)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.83594495,True
6950,N#Cc1cc(F)cc(N2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.71370375,False
6951,O=C1N(CCN2CC3CCC2C3)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.44187808,False
6952,O=C1N(CNC2Cc3ccc(Cl)cc3O2)CCN1c1cccc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.4744514,False
6953,O=C1N(Cc2ccc3c(c2)OCO3)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.42975572,False
6954,CC12CCC(N3CCN(c4cccc5c4OCO5)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.19548365,False
6955,CN(Cc1ccccc1)CN1CCN(c2cccs2)C1=O,[*]N1CCN([*])C1=O,0.29839313,False
6956,COc1cccc2c1OCC(N(CCC(=O)O)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.26664725,False
6957,N#Cc1ccccc1N1CCN(CCN2CCOCC2)C1=O,[*]N1CCN([*])C1=O,0.30026212,False
6958,O=C1N(CCN2C3CCCC2C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.44120276,False
6959,CC12CCC(N3CCN(CCN4Cc5ccccc5C4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.8055891,False
6960,CCN(CC1CCN(CC(=O)OC(C)(C)C)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43030405,False
6961,CCCN(CCC(=O)N1CCC(C)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.35271776,False
6962,CCN(CC)C1COc2c(cccc2C(=O)c2ccoc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.37466204,False
6963,CCN(CCC(=O)N1CCCCC1)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.19855243,False
6964,CCOc1cscc1N1CCN(CCN2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.69922674,False
6965,COc1ccc(Cl)cc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.82975197,False
6966,O=C1N(CN2CCCC(CF)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.43744794,False
6967,O=C1N(Cc2cccc(F)c2)CCN1CC(F)(F)F,[*]N1CCN([*])C1=O,0.34196106,False
6968,CC(C)Oc1ccc(Cl)cc1N1CCN(CCN2CCc3ccccc3N2)C1=O,[*]N1CCN([*])C1=O,0.4801751,False
6969,CN(C)CCN1CCN(c2ccc(F)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.55623966,False
6970,COc1cccc(CN2CCN(CN3CCN(c4cccc(Cl)c4Cl)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.69542515,False
6971,N#Cc1cccc(N2CCN(CCN3CCN(c4cccc(Cl)c4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.86652327,False
6972,CC1(C)CC2CC(C)(CN2CCN2CCN(c3cccc(F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.6588083,False
6973,CC12CCC(N(CCN3CCN(c4ccccc4Cl)C3=O)CC1)C2(C)C,[*]N1CCN([*])C1=O,0.42536196,False
6974,O=C1N(CC2CCN3CCCC3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.44754767,False
6975,O=C1N(CCN2CC3CCC2Cc2ccccc2C3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.6338325,False
6976,O=C1N(CCN2CCCCCC2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.8397795,True
6977,CC1CCC2(CC2CN2CCN(c3cccc(Cl)c3)C2=O)CN(C)C1,[*]N1CCN([*])C1=O,0.6406261,False
6978,CN(CCN1CCN(c2cccc(Cl)n2)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.6261212,False
6979,CN(Cc1cc2ccccc2s1)CN1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.37553188,False
6980,O=C1N(CCN2CCCc3sccc3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.54766846,False
6981,O=C1Nc2ccccc2CN1CCN1CCN(c2csc3ccccc23)C1=O,[*]N1CCN([*])C1=O,0.5875807,False
6982,CCCN(C)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6073869,False
6983,CNc1ccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6363211,False
6984,COC(C)N1CCN(CCN2CCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.51875997,False
6985,COc1cccc(N2CCN(CC3CCCCN3C)C2=O)c1,[*]N1CCN([*])C1=O,0.6071537,False
6986,COc1ccccc1N1CCN(C(C)C)C1=O,[*]N1CCN([*])C1=O,0.22833721,False
6987,O=C1N(CCN2CCC3Cc4ccccc4C3C2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.5887932,False
6988,O=C1N(c2cccc(Cl)c2Cl)CCN1C1CCCC(C(F)(F)F)C1,[*]N1CCN([*])C1=O,0.26823014,False
6989,CC1(C)C2CCC1(N1CCN(c3cccc(CN4CCCC4)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.43724063,False
6990,CC12CCC(N3CCN(c4ccc5c(c4)OCO5)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.21634664,False
6991,CCCN(CCCN(C)C)C1COc2c(cccc2C(=O)O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5930205,False
6992,COc1ccccc1N1CCN(CC2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.34391704,False
6993,Cc1cccc(N2CCN(CCN3CCN(C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.8278141,False
6994,O=C1N(c2cc(Cl)ccc2F)CCN1C1CCCCCN1,[*]N1CCN([*])C1=O,0.21231622,False
6995,Cc1ccc(CN2CCN(CCN3Cc4ccccc4C3)C2=O)s1,[*]N1CCN([*])C1=O,0.69603336,False
6996,Cc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)cc2)n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.85385,False
6997,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1c(OCCF)ccc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7160733,False
6998,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc(F)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9268782,False
6999,O=C1N(C#Cc2ccccc2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.26419953,False
7000,O=C1N(CCN2CCCCCC2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.65505713,False
7001,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(OC(F)(F)F)cc1,[*]N1CCN([*])C1=O,0.8341516,False
7002,CN(C)Cc1csc(N2CCN(CCN3COc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.6256489,False
7003,CN1CCCCC1N1CCN(C2COc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.3603868,False
7004,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccnc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6948938,False
7005,CSc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3[nH]ccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7034742,False
7006,O=C1N(C2CCC[S+]([O-])C2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.23635982,False
7007,O=C1N(c2cccc3cccnc23)CCN1C1CCN(Cc2ccccc2)CC1,[*]N1CCN([*])C1=O,0.6408509,False
7008,CC(=O)NCC=CCN1CCN(c2cccc(C)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80247766,False
7009,CN(Cc1ccco1)CN1CCN(c2ccccn2)C1=O,[*]N1CCN([*])C1=O,0.22379607,False
7010,COc1cccc2c1OCC(N(C)CCC1CCC(NC(=O)OC(C)(C)C)CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.22291091,False
7011,Cc1cccc(N2CCN(CC3CCCCN3)C2=O)n1,[*]N1CCN([*])C1=O,0.39379653,False
7012,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc2[nH]ccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63015753,False
7013,O=C1N(CC(=O)N2CCc3c(F)cccc32)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.14204879,False
7014,O=C1N(CC2CCCNC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.50890464,False
7015,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(Br)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8689471,False
7016,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3ccccc3c2OC)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9366321,False
7017,Cc1csc(N2CCN(Cc3ccccn3)C2=O)n1,[*]N1CCN([*])C1=O,0.20067462,False
7018,O=C(NCC=CCN1CCN(c2ccccc2)CC1)c1cccc2c1-c1ccccc1C2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52558357,False
7019,O=C1N(CC2CCCCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.4371509,False
7020,O=C1N(CCN2CCCCCC2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.8073436,False
7021,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc2ccoc2c1,[*]N1CCN([*])C1=O,0.5473315,False
7022,CC(=O)n1cc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c2ccccc21,[*]N1CCN([*])C1=O,0.5196756,False
7023,CCN(CC)C1COc2c(Cc3cccs3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.54157764,False
7024,Cc1cc(N2CCN(CN3Cc4ccccc4C3)C2=O)cs1,[*]N1CCN([*])C1=O,0.50927633,False
7025,O=C(NCC=CCN1CCN(c2ccccc2OCF)CC1)c1ccc(-c2ccc(F)cc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9401001,False
7026,O=C1N(CCN2CCOCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.49288702,False
7027,O=C1N(CN2CCCCCC2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.41401073,False
7028,CN1CCN(CCN2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.6173521,False
7029,COc1ccccc1N1CCN(C(C)C2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.23958305,False
7030,Cc1ccc(N2CCN(C3CCCCN3)C2=O)s1,[*]N1CCN([*])C1=O,0.30559266,False
7031,Cc1cccc(N2CCN(CC=CCNC(=O)c3cc4ccccc4o3)CC2)c1C,[*]C(=O)NCC=CCN1CCN([*])CC1,0.58972806,False
7032,O=C1N(CCN2CCCC3Cc4ccccc4CC32)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.50695705,False
7033,CCCN(CCCN(C)C)C1COc2c(cccc2OC(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53929335,False
7034,CN1CCN(CCN2CCN(c3cccc(F)c3C#N)C2=O)CC1,[*]N1CCN([*])C1=O,0.7125555,False
7035,Cc1coc(CN(C)CN2CCN(c3cccc(Cl)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.4523901,False
7036,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7488614,False
7037,O=C1N(CCN2CC3CCC(C2)C3CF)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.52194095,False
7038,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cc(F)ccc1F,[*]N1CCN([*])C1=O,0.54228234,False
7039,CCCN(CCCN(C)C)C1COc2c(cccc2-c2ccccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5574215,False
7040,COc1cccc2c1OCC(N(CCc1ccccc1)CC1CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.59288657,False
7041,O=C1N(CC2COCCN2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.3187166,False
7042,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(Cl)cc1F,[*]N1CCN([*])C1=O,0.49500084,False
7043,CC1(C)CC2CCC(C)(CN2CCN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.8281192,False
7044,O=C1N(CCN2CCCC(O)C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.6448755,False
7045,O=C1N(CCN2CCCc3ccccc32)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.4664996,False
7046,O=C1N(c2cc3ccccc3s2)CCN1c1ccccc1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.4742159,False
7047,CC(C)N1CCN(c2cccc(CN3Cc4ccccc4C3)c2)C1=O,[*]N1CCN([*])C1=O,0.5410224,False
7048,CCCN1CCN(c2cccc(CN3Cc4ccccc4C3)c2)C1=O,[*]N1CCN([*])C1=O,0.7466275,False
7049,COc1ccc(CN2CCN(c3cccc(CN4Cc5ccccc5C4)c3)C2=O)cc1,[*]N1CCN([*])C1=O,0.61735946,False
7050,COc1cccc2c1CC1CC(C2)N(CCN2CCN(c3ccccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.45350745,False
7051,CC(C)c1ccc(CN2CCN(CCN3CCc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.63990766,False
7052,CCOCN1CCN(CC=CCNC(=O)c2cc3cc(OCCF)ccc3[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.20188972,False
7053,COC(C)N1CCN(CCN2CCc3cccnc3C2)C1=O,[*]N1CCN([*])C1=O,0.67095655,False
7054,O=C1N(CC2CCCNC2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.37253624,False
7055,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc(F)cc(Cl)c1,[*]N1CCN([*])C1=O,0.91372365,True
7056,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(F)s1,[*]N1CCN([*])C1=O,0.8839161,False
7057,O=C1N(COCC2CCCCN2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.54951733,False
7058,CC1(C)C2CCN(CCN3CCN(c4ccccc4Cl)C3=O)C3CC1(C)C32,[*]N1CCN([*])C1=O,0.4026771,False
7059,CC1(C)CCCN(CCN2CCN(c3cccc(F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.6356579,False
7060,CC1CN(C(=O)CN2CCN(C34CCC(CC3)C4(C)C)C2=O)CCO1,[*]N1CCN([*])C1=O,0.112457275,False
7061,COC(C)N1CCN(CCN2CCN(Cc3ccccc3)CC2)C1=O,[*]N1CCN([*])C1=O,0.64730793,False
7062,COC(C)N1CCN(Cc2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.3734186,False
7063,CC1(C)C2CCC1(N1CCN(c3ccc(CN4CCOC4)cc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.3628407,False
7064,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc(C)ccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9407958,True
7065,Nc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8706847,False
7066,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc2ccc(OCCF)cc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7704259,False
7067,O=C1N(CC2CCCCN2)CCN1c1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.44527444,False
7068,CC(C)c1sccc1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.86627114,False
7069,CCCN(CC1CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6903054,False
7070,CN(Cc1cc2ccccc2s1)CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.751514,False
7071,Cc1cccc(N2CCN(CCN(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.58798724,False
7072,O=C1N(CCN2CCCCc3ccoc3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5864744,False
7073,O=C1N(Cc2ccccc2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.28312284,False
7074,CCN(C)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6030039,False
7075,CCN1CCCC1CNC(=O)c1c(C)ccc(Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.83648837,False
7076,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(CCF)c(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9630587,False
7077,O=C1N(CC2CCC3Cc4ccccc4N3C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5291638,False
7078,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc(F)c1Cl,[*]N1CCN([*])C1=O,0.57662475,False
7079,CN(CCN1CCN(c2ccc3c(c2)OCO3)C1=O)CC12CCC(CC1)C2,[*]N1CCN([*])C1=O,0.56114215,False
7080,COCC1CCN(CN2CCN(c3ccccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.5423667,False
7081,COc1cccc(N2CCN(CCN3CCC4Cc5ccccc5CC3C4)C2=O)c1,[*]N1CCN([*])C1=O,0.6254819,False
7082,Nc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(F)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8672345,False
7083,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cc2ccccc2o1,[*]N1CCN([*])C1=O,0.6591947,False
7084,CCN1CCCC1CN1CCN(c2cccc(Cl)c2Cl)C1=O,[*]N1CCN([*])C1=O,0.41091627,False
7085,CN(C)Cc1cccc(N2CCN(CC3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.55862635,False
7086,Cn1ccc(N2CCN(C3CCNCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.3231054,False
7087,NC1CCCCC1CN1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.42189935,False
7088,O=C1N(CCN2CCCOC2)CCN1c1cccc2cccnc12,[*]N1CCN([*])C1=O,0.45494083,False
7089,O=C1N(c2ccccc2F)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.22002025,False
7090,CC(C)N1CCN(CCN2CCN(c3cccc(O)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.82630026,False
7091,CC(C)N1CCN(CN2CCN(c3cccc(Cl)c3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.5013438,False
7092,CCN(CCC(=O)N1CCC(C)CC1)C1COc2c(cccc2C(=O)O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.23684795,False
7093,COc1cccc(Cl)c1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.8068199,False
7094,O=C1N(CCN2CC3CCC(C3)C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.6444757,False
7095,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.4310396,False
7096,O=C1N(CCN2CCc3ccccc3N2)CCN1Cc1ccccc1Cl,[*]N1CCN([*])C1=O,0.5160602,False
7097,O=C1N(CCOC2CCCC2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.5470212,False
7098,CC1(C)CC2CC(C)(CCN3CCN(c4cccc(Cl)c4)C3=O)NC2C1,[*]N1CCN([*])C1=O,0.7044585,False
7099,COc1ccc(Br)cc1C(=O)NCC=CCN1CCN(c2cccc(F)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.843733,False
7100,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1cccc(-c2ccccc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8407255,False
7101,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.85689634,False
7102,O=C1N(CN2CCC(c3ccccc3)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.56945205,False
7103,C=CCN(CC1CC1)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5984838,False
7104,COc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3ccccc3F)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5892329,False
7105,Cc1cccc(N2CCN(CCN3CC4CCC3CC4)C2=O)c1,[*]N1CCN([*])C1=O,0.5909696,False
7106,Cc1cccc(N2CCN(CCN3CCc4ccccc4N3)C2=O)c1,[*]N1CCN([*])C1=O,0.6561134,False
7107,O=C1N(CCN2CC3CCC2Cc2ccccc2C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5854215,False
7108,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccsc1-c1cccs1,[*]N1CCN([*])C1=O,0.64198375,False
7109,CCCN(CCC)C1COc2c(cccc2-c2cc[nH]c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.84192467,False
7110,CCN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.2626762,False
7111,COc1cccc2c(C(=O)NCC=CCN3CCN(c4ccccc4Cl)CC3)ccnc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7163641,False
7112,Cc1cccc(N2CCN(CC3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.6026279,False
7113,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccsc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.79040813,False
7114,O=C1N(CCc2ccccc2)CCN1c1cccc(CN2Cc3ccccc3C2)c1,[*]N1CCN([*])C1=O,0.70678896,False
7115,CC(C)N(CCO)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40447173,False
7116,CCCN(CCC)C1COc2c(cccc2-c2ccccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6387907,False
7117,CN1CCN(Cc2ccc(N3CCN(CC(=O)N4CCc5c(F)cccc54)C3=O)cc2)C1,[*]N1CCN([*])C1=O,0.41917083,False
7118,O=C1N(CC2CCCCN2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.6058597,False
7119,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.7380906,False
7120,O=C1N(CCN2CCc3ccccc3N2)CCN1Cc1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.47604856,False
7121,CC1CCCCN1CN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.43895355,False
7122,CCN(CC)C1COc2c(O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6214692,False
7123,COc1cccc(C2CCCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C2)c1,[*]N1CCN([*])C1=O,0.90420073,False
7124,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccc(Cl)cc3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96050256,False
7125,Cc1ccccc1CN1CCN(CCN2CCCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.31371197,False
7126,O=C1Nc2ccccc2CN1CCN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.58329576,False
7127,CCCN(CCCN(C)C)C1COc2c(cccc2C(F)(F)F)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6985252,False
7128,CCN(C)CCN1CCN(c2ccccc2F)C1=O,[*]N1CCN([*])C1=O,0.5014159,False
7129,COCc1ccccc1N1CCN(CC=CCNC(=O)c2cc(OC)c[nH]2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7013375,False
7130,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccc[nH]3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7906397,False
7131,Cc1csc(N2CCN(c3cc(Cl)ccc3F)C2=O)c1,[*]N1CCN([*])C1=O,0.1576535,False
7132,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3ccccc3C)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7192488,False
7133,O=C(CN1CCN(Cc2cccc(F)c2)C1=O)N1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.19115408,False
7134,O=C1N(CN2Cc3ccccc3C2)CCN1c1cc(F)c(Cl)cc1F,[*]N1CCN([*])C1=O,0.57688755,False
7135,Oc1cccc2c1OCC(N(CCc1cccs1)CC1CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.616365,False
7136,CCCN(CC1CCCN1C)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6367322,False
7137,CN(Cc1ccccc1)CN1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.46094924,False
7138,CNc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.3864334,False
7139,Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.8670469,False
7140,O=C1N(CCN2CCc3ccccc3C2)CCN1c1nc2c(Cl)cccc2s1,[*]N1CCN([*])C1=O,0.6088175,False
7141,CC(C1CCCCN1)N1CCN(c2cccc(Cl)c2Cl)C1=O,[*]N1CCN([*])C1=O,0.22179443,False
7142,CC1(C)CC2CC(C)(CN2CN2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.5416684,False
7143,COC1CCN(CCN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.69465667,False
7144,COc1ccccc1N1CCN(CCN2CC3(C)CC2CC(C)(C)C3)C1=O,[*]N1CCN([*])C1=O,0.4494706,False
7145,O=C(Cc1ccc(OCCF)cc1)NCC=CCN1CCN(c2ccccc2CCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6053035,False
7146,CC1CCN(CCN2CCN(c3ccccn3)C2=O)CC1,[*]N1CCN([*])C1=O,0.73252785,False
7147,CCN(CC(C)C)C1COc2c(cccc2C(=O)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.29493684,False
7148,CN1CCCCC1CN1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.6325594,False
7149,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccc(-c4ccccc4)cn3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.82005453,False
7150,O=C1N(CCN2CCC3Cc4ccccc4CC2C3)CCN1c1ccc(Cl)cc1F,[*]N1CCN([*])C1=O,0.4311018,False
7151,O=C1N(Cc2cccc(Cl)c2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.6199747,False
7152,CC1(C)C(=O)N(CN2CCN(c3ccc4c(c3)OCO4)C2=O)C2CCCC21,[*]N1CCN([*])C1=O,0.37076214,False
7153,CCN1CCC(N2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6201192,False
7154,CN(Cc1cccc(Cl)c1)CN1CCN(CC2c3ccccc3CN2C)C1=O,[*]N1CCN([*])C1=O,0.44497284,False
7155,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3[nH]ccc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8717986,False
7156,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2ccncc2c1,[*]N1CCN([*])C1=O,0.75385386,False
7157,CC1CCN(CCN2CCN(c3ccccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.6336704,False
7158,CN(Cc1ccccc1)CN1CCN(c2cccnc2)C1=O,[*]N1CCN([*])C1=O,0.2975163,False
7159,CN1CCCC(CN2CCN(c3cccc(Cl)c3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.42774254,False
7160,O=C1N(CCN2CCC3CCC2CC3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5129819,False
7161,O=C1N(CCN2CCOCC2)CCN1c1cccc(Cl)n1,[*]N1CCN([*])C1=O,0.30336016,False
7162,O=C1N(CN2CC3Cc4ccccc4CC(C3)C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.55246043,False
7163,O=C1N(c2ccc(Cl)cn2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.2736192,False
7164,CC(C)c1cccc(N2CCN(CN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.56092805,False
7165,CCCCN(CC1CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6112917,False
7166,Cc1csc(N2CCN(CCN3CCN(c4cccs4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.63572615,False
7167,Cn1ncc2cc(N3CCN(CC4CCCCN4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.4483513,False
7168,O=C1N(CCN2CC3CC4CCCCC4(C3)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5744374,False
7169,O=C1N(CCOC2CCCC2)CCN1c1ccc(F)cc1Cl,[*]N1CCN([*])C1=O,0.449298,False
7170,CC1CCCCN1CCN1CCN(c2ccc3c(c2)OCO3)C1=O,[*]N1CCN([*])C1=O,0.49591622,False
7171,Cc1cccc(N2CCN(CC=CCNC(=O)c3cc4cccccc-4c3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80666596,False
7172,Cc1csc(N2CCN(CN3CCCc4ccccc43)C2=O)n1,[*]N1CCN([*])C1=O,0.25504774,False
7173,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1ccc2c(c1)-c1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63790804,False
7174,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2ccc(OCCF)cc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8994257,False
7175,O=C1N(CCN2CCc3ccccc32)CCN1Cc1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.48441032,False
7176,CN1CCCC(N2CCN(c3cccc(C(F)(F)F)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.38512245,False
7177,Cc1cccc(CN2CCN(CN(C)Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.33502218,False
7178,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccnc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7953874,False
7179,Cc1csc(N2CCN(CC(C)N3Cc4ccccc4C3)C2=O)n1,[*]N1CCN([*])C1=O,0.24509859,False
7180,Nc1ccc(C(=O)NCC=CCN2CCN(c3cccc(F)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8429966,False
7181,Nc1ccc(C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9468064,False
7182,CCCN(CC)C1COc2c(cccc2-c2cccc(C)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6183644,False
7183,CCN(CC)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.57824147,False
7184,CCN(CCC(=O)N1CCN(C(C)=O)CC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.18480831,False
7185,Cn1cc(N2CCN(CCN3CCCCCC3)C2=O)cc1-c1ccccc1,[*]N1CCN([*])C1=O,0.8398384,False
7186,O=C1N(CC2CCCN2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.3638795,False
7187,O=C1N(CCN2CCC3CCCC32)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.36137307,False
7188,O=C1N(CCN2CCCCCC2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.88869786,True
7189,CC12CCC(N3CCN(CN4CCN(c5cccc(Cl)c5)C4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.50723326,False
7190,CCC1(C)C2CC3CCC31N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.74631137,False
7191,CCCN(CC1CCCC1)C1COc2c(cccc2-c2ccc(OC)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.65485406,False
7192,CN1Cc2ccccc2NC1CN1CCN(c2cccc3ncsc23)C1=O,[*]N1CCN([*])C1=O,0.36594558,False
7193,CC(C)N1CCN(CCN2CCN(c3ccccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.70519304,False
7194,CC12CCC(CCN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1)C2(C)C,[*]N1CCN([*])C1=O,0.7038102,False
7195,CC1CCN(C(=O)CCN(c2cccc(F)c2)C2COc3c(F)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.23420566,False
7196,CN(CCC(N)=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.32307598,False
7197,CN(Cc1cccs1)CN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.3100135,False
7198,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2C)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84992814,False
7199,CC(C)N1CCN(c2cccc(OC(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.16911598,False
7200,COc1ccc(CC(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8081651,False
7201,COc1cccc(CN2CCN(c3ccc(Cl)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.3082572,False
7202,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccsc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.98804975,False
7203,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.7469253,False
7204,O=C1N(CCN2Cc3ccccc3O2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.5669902,False
7205,O=C1N(CN2CCc3ccccc3C2)CCN1c1cccc(Cl)n1,[*]N1CCN([*])C1=O,0.5527008,False
7206,CCN(CCC(=O)N1CCC(C)CC1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.26178062,False
7207,COc1ccc(CN(CCC(=O)N2c3ccccc3CC2C)C2COc3c(F)cccc3C2)cc1,[*]CN([*])C1COc2c([*])cccc2C1,0.30517763,False
7208,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccc(N)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7645043,False
7209,O=C1N(CCN2C3CCc4ccccc4C2CC3)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.6397692,False
7210,O=C1N(CCN2CCCc3ccsc3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5944072,False
7211,CN(Cc1cccs1)CN1CCN(C2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.40612665,False
7212,CN1CCCC1CN1CCN(c2cccc(Cl)c2Cl)C1=O,[*]N1CCN([*])C1=O,0.4563974,False
7213,COc1ccccc1N1CCN(CC(=O)NCc2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.08010385,False
7214,O=C(NCC=CCN1CCN(c2cccc(Cl)c2)CC1)c1cc2ccccc2o1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5215677,False
7215,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccc(F)cc1Cl,[*]N1CCN([*])C1=O,0.4371845,False
7216,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.54807603,False
7217,CC(=O)n1ccc2cc(N3CCN(CC4CCCCN4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.31281626,False
7218,CC(C)(C)Oc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)cc1,[*]N1CCN([*])C1=O,0.81283486,False
7219,CC1(C)CC2CCC1(C)CN2CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.3895106,False
7220,CCN1CCN(CCN(C)C)C1=O,[*]N1CCN([*])C1=O,0.38960093,False
7221,CN1CCCCC1CN1CCN(c2ccccc2F)C1=O,[*]N1CCN([*])C1=O,0.44885048,False
7222,O=C1N(CCN2CCCCCC2)CCN1c1ccc(C(F)(F)F)cc1,[*]N1CCN([*])C1=O,0.8958306,False
7223,CC1(C)C2CCC1(N1CCN(c3ccccc3)C1=O)CC2,[*]N1CCN([*])C1=O,0.2697221,False
7224,CN(C)c1cccc(N2CCN(CC3COCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.41676763,False
7225,COCC1CCN(CCN2CCN(c3ccccc3OC)C2=O)CC1,[*]N1CCN([*])C1=O,0.73238,False
7226,N#Cc1ccc(N2CCN(CN3Cc4ccccc4C3)C2=O)cc1F,[*]N1CCN([*])C1=O,0.57826036,False
7227,O=C1N(Cc2ccccc2)CCN1CN1CCN(Cc2ccccc2Cl)CC1,[*]N1CCN([*])C1=O,0.5268887,False
7228,CC(C)Oc1cccc(N2CCN(CCN3CCN(C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.74757385,False
7229,CN(CCN1CCN(c2ccccc2Cl)C1=O)Cc1ccccc1,[*]N1CCN([*])C1=O,0.487014,False
7230,COc1ccc(N2CCN(CCN3CCC(C(F)(F)F)CC3)C2=O)cc1C,[*]N1CCN([*])C1=O,0.6928436,False
7231,Cc1cc(N2CCN(CC3CCCCN3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.47408277,False
7232,O=C(NCC=CCN1CCN(c2cccc(CF)c2Cl)CC1)c1ccccc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.92032903,False
7233,O=C1N(CCN2Cc3cccc(F)c3C2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.78263307,False
7234,C=CCN(CC)C1COc2c(cccc2-c2ccc(Br)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5395263,False
7235,CC1CCCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.9453858,False
7236,CC1CCN(C(=O)CN2CCN(c3ccccc3F)C2=O)CC1,[*]N1CCN([*])C1=O,0.097232014,False
7237,Nc1ccc(C(=O)NCC=CCN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.45497304,False
7238,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccncc1,[*]N1CCN([*])C1=O,0.7166069,False
7239,O=C1N(c2cc(Cl)cc(Cl)c2)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.27126053,False
7240,CC(C)N1CCN(CCN2CCN(c3ccc(CN4CCC(O)C4)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6647613,False
7241,CC12CCC(N3CCN(Cc4ccc5c(c4)OCO5)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.23787723,False
7242,CN(Cc1ccccc1)CN1CCN(C2COc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5035254,False
7243,COC(C)N1CCN(CCN2CCCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.43349025,False
7244,O=C1N(CCOC2CCCC2)CCN1n1ccnc1,[*]N1CCN([*])C1=O,0.32228702,False
7245,CC12CCC(N3CCN(C4CCOCC4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.21299721,False
7246,CN1CCN(CN2CCN(c3ccc(Cl)cc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.5212292,False
7247,O=C1N(CC2Cc3ccccc3CN2)CCN1c1ccc(C(F)(F)F)s1,[*]N1CCN([*])C1=O,0.5184808,False
7248,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccccc1OC(F)(F)F,[*]N1CCN([*])C1=O,0.7661794,False
7249,COCC12CCC(CN(CCN3CCN(c4cccc(Cl)c4)C3=O)C1)C2C,[*]N1CCN([*])C1=O,0.73331827,False
7250,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2cccc(O)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96221495,True
7251,O=C1N(CC2CCNCC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.60014623,False
7252,O=C1N(CCN2CCc3ccccc3C2)CCN1c1csc2ccc(Cl)cc12,[*]N1CCN([*])C1=O,0.6073442,False
7253,O=C1N(CCOC2CCCC2)CCN1Cc1ccccc1,[*]N1CCN([*])C1=O,0.5314007,False
7254,O=C1N(c2ccco2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.24477878,False
7255,CC(C)N1CCN(CCN2CCN(C(=O)c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.40974957,False
7256,CC1CCN(CCN2CCN(c3cccc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.9469262,True
7257,CCN(CCC1(C(=O)O)CCCC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3105718,False
7258,CN1CCCN(CCN2CCN(c3ccccc3)C2=O)CC1,[*]N1CCN([*])C1=O,0.8577055,False
7259,O=C1N(CCN2CCCCCC2)CCN1c1cc(F)cc(F)c1,[*]N1CCN([*])C1=O,0.83913684,False
7260,CCN1CCN(CCN2CCc3ccccc3N2)C1=O,[*]N1CCN([*])C1=O,0.6078739,False
7261,CNc1cccc(C(=O)NCC=CCN2CCN(c3ccccc3OC)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.75497985,False
7262,Cc1csc(N2CCN(CCN3CCCc4ccccc43)C2=O)n1,[*]N1CCN([*])C1=O,0.3480081,False
7263,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1cccnc1-c1ccccc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6952229,False
7264,O=C1N(CC2CCC3Cc4ccccc4CN3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.59159076,False
7265,O=C1N(c2cccc3ccccc23)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.28857812,False
7266,CC1(C)C2CCC13CCN(CCN1CCN(c4ccc(Cl)cc4)C1=O)C3C2,[*]N1CCN([*])C1=O,0.5816133,False
7267,CCCN1C(=O)CC(CO)(CCN(CC)C2COc3c(cccc3OC)C2)CC1=O,[*]CN([*])C1COc2c([*])cccc2C1,0.3486535,False
7268,COc1ccccc1N1CCN(CC2CCCCCN2C)C1=O,[*]N1CCN([*])C1=O,0.3902131,False
7269,O=C(NCC=CCN1CCN(c2cccc(OCCF)c2)CC1)c1ccc2cc[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.43159464,False
7270,O=C1N(CC2CCCCN2)CCN1c1ccsc1,[*]N1CCN([*])C1=O,0.5127898,False
7271,CN(Cc1cccs1)CN1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.45872793,False
7272,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4)CC3)oc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.42047712,False
7273,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccccc3-c3ccccc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7763735,False
7274,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(Cl)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9185262,False
7275,O=C1N(CCN2CC3CC2CC3CF)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.37780434,False
7276,O=C1N(c2cccc(F)c2)CCN1C1CCCCCN1,[*]N1CCN([*])C1=O,0.23112872,False
7277,CC(C)N(CCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.50459766,False
7278,CS(=O)(=O)c1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.75809485,False
7279,O=C1N(CN2Cc3ccccc3C2)CCN1c1cc(Cc2ccccc2)on1,[*]N1CCN([*])C1=O,0.49357888,False
7280,COc1cc(N2CCN(c3cc(CN(C)C)cs3)C2=O)cc2ccccc12,[*]N1CCN([*])C1=O,0.28815895,False
7281,COc1cccc(C(=O)NCC=CCN2CCN(c3cccc(C(F)(F)F)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8749371,False
7282,Cc1csc(N2CCN(CCN3Cc4ccccc43)C2=O)n1,[*]N1CCN([*])C1=O,0.4272148,False
7283,O=C1N(CCN2CCCCCC2)CCN1c1ccc(Cl)nc1,[*]N1CCN([*])C1=O,0.771474,False
7284,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.7620446,False
7285,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.6047557,False
7286,CC1(C)CCCN(CCN2CCN(c3ccc(F)cc3)C2=O)C1,[*]N1CCN([*])C1=O,0.56784,False
7287,CN(Cc1cc2ccccc2s1)CN1CCN(CCc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.49450964,False
7288,Cc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7936393,False
7289,COc1c(C(=O)NCCN2CCN(c3cccc(SC)c3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.84009045,False
7290,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc(OCC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.53875244,False
7291,CC(=O)n1cc(N2CCN(CC3CCCCN3)C2=O)c2ccccc21,[*]N1CCN([*])C1=O,0.22089691,False
7292,CN(CN1CCN(c2cccc(Cl)c2)C1=O)CC12CCCC1(C)CC2,[*]N1CCN([*])C1=O,0.5405717,False
7293,Cc1cccc(N2CCN(CCN3CCCC45CCC(CC34)C5(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.5530575,False
7294,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.7238109,False
7295,CCN(C(C)C)C1COc2c(cccc2C(=O)c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.25491646,False
7296,Cc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccnc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.63675505,False
7297,COc1c(C(=O)NCCN2CCN(c3ccccc3O)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.841793,False
7298,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(-c3cccc(O)c3)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9375419,False
7299,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccccc1OCCF,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7852409,False
7300,O=C1N(CCN2CCc3ccsc3C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.55681807,False
7301,COc1c[nH]c(C(=O)NCC=CCN2CCN(c3cccc(OCCF)c3)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.40133595,False
7302,COc1cccc(N2CCN(C(F)(F)F)C2=O)c1,[*]N1CCN([*])C1=O,0.20581667,False
7303,Cc1ccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(C)c4Cl)CC3)cc2)nc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.80259347,False
7304,Cc1cccc(N2CCN(CCN3CCc4ccccc4N3)C2=O)n1,[*]N1CCN([*])C1=O,0.5444157,False
7305,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1Cc1ccc(F)cc1,[*]N1CCN([*])C1=O,0.81439316,False
7306,CC12CCN(C1)C(C)(CN1CCN(c3ccccc3F)C1=O)C2,[*]N1CCN([*])C1=O,0.3171632,False
7307,COC(C)N1CCN(CN(C)Cc2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.34902203,False
7308,COCC1C2CCC1N(CCN1CCN(c3ccccc3Cl)C1=O)CC2,[*]N1CCN([*])C1=O,0.37775943,False
7309,O=C1N(CC2CCCCN2Cc2ccccc2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.33710417,False
7310,O=C1N(CCN2C3CCCC2CC3)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.49797517,False
7311,O=C1N(Cc2ccccc2)CCN1Cc1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.29555103,False
7312,CC(=O)N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5408799,False
7313,CN(C)Cc1csc(N2CCN(Cc3cccc4ccccc34)C2=O)c1,[*]N1CCN([*])C1=O,0.34370193,False
7314,CN(Cc1cccs1)CN1CCN(c2cccc3c2OCC3)C1=O,[*]N1CCN([*])C1=O,0.28958377,False
7315,CN1CCCCC1N1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.3576185,False
7316,COc1cccc(N2CCN(CN(C)Cc3cc4ccccc4s3)C2=O)c1,[*]N1CCN([*])C1=O,0.3933276,False
7317,Cc1cccc(N2CCN(C3CCCNC3)C2=O)c1,[*]N1CCN([*])C1=O,0.22441131,False
7318,CCN(CCc1ccc(N(C)C)cc1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5242569,False
7319,CCN1CCCC(CN2CCN(c3ccccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.36217245,False
7320,COc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2cccnc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68076277,False
7321,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89831865,False
7322,COc1ccccc1N1CCN(CC(F)(F)F)C1=O,[*]N1CCN([*])C1=O,0.32520616,False
7323,CCCN(CC)C1COc2c(cccc2-c2ccccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56409687,False
7324,CN1CCCCCC1CN1CCN(c2ccccn2)C1=O,[*]N1CCN([*])C1=O,0.41693807,False
7325,Fc1cccc2c1OCC(N(CCc1ccccc1)CC1CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6162834,False
7326,O=C1N(CCN2C3CCCC2CC3)CCN1c1cccc(Cl)n1,[*]N1CCN([*])C1=O,0.4257642,False
7327,O=C1N(CCN2CC3CCCC2Cc2ccccc2C3)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.47638297,False
7328,O=C1Nc2ccccc2CN1CCN1CCN(c2cccc(CN3CCCC3)c2)C1=O,[*]N1CCN([*])C1=O,0.69304276,False
7329,CCN(CC)CN1CCN(c2ccccc2OC)C1=O,[*]N1CCN([*])C1=O,0.33422664,False
7330,CCN1CCCC1CNC(=O)c1c(C)ccc(Cl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8348418,False
7331,CN(C)Cc1cccc(N2CCN(CCc3ccc(Cl)cc3)C2=O)c1,[*]N1CCN([*])C1=O,0.5577407,False
7332,COCC1CCC(N2CCN(c3cccc(Cl)c3)C2=O)C1,[*]N1CCN([*])C1=O,0.52012616,False
7333,O=C(NCC=CCN1CCN(c2ccccc2F)CC1)c1cccc(CCF)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6939487,False
7334,CC1CCN(C(=O)CCN(C(C)C)C2COc3c(C=O)cccc3C2)CC1,[*]CN([*])C1COc2c([*])cccc2C1,0.22495039,False
7335,CCN(C(C)C)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.43154773,False
7336,O=C1N(CCN2CCCc3ccccc32)CCN1c1cccc2sccc12,[*]N1CCN([*])C1=O,0.4540736,False
7337,O=C1N(CN2Cc3ccccc3C2)CCN1c1cccc(-c2ccccn2)c1,[*]N1CCN([*])C1=O,0.44574875,False
7338,CCN(CC)CCN1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.52894676,False
7339,COc1ccc(N2CCN(CCN3CCN(C(C)C)CC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.78041786,False
7340,COc1cccc2c1OCC(N(CCCN1C(=O)CN(c3ccccc3)C1=O)Cc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.5339051,False
7341,N#Cc1cccc(N2CCN(CCN3CCCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.5174173,False
7342,O=C1N(CCN2CCCc3ccccc32)CCN1c1ccc2sccc2c1,[*]N1CCN([*])C1=O,0.44222835,False
7343,CCN1CCCC1CNC(=O)c1c(O)ccc(Cl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8797218,False
7344,Cc1cc(N2CCN(CN3Cc4ccccc4C3)C2=O)on1,[*]N1CCN([*])C1=O,0.5007604,False
7345,Cc1ccc(N2CCN(C3CCCCN3)C2=O)nc1,[*]N1CCN([*])C1=O,0.17518157,False
7346,N#Cc1cccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.9226405,True
7347,O=C1N(CCN2CCCC(C(F)(F)F)CC2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.88283306,False
7348,O=C1N(CCOC2CCCC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.5475639,False
7349,CC12CCC(N3CCN(C4COCOC4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.25665578,False
7350,CC1CCCN(CCN2CCN(c3ccccc3Cl)C2=O)C1C,[*]N1CCN([*])C1=O,0.44656518,False
7351,CN(CCN1CCN(c2ccc3c(c2)OCO3)C1=O)CC1CCCC1,[*]N1CCN([*])C1=O,0.5310543,False
7352,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1ccc(O)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8089838,False
7353,CC(=O)n1c(N2CCN(CN3Cc4ccccc4C3)C2=O)cc2ccccc21,[*]N1CCN([*])C1=O,0.33715305,False
7354,CCN1CCCC(N2CCN(c3cccc4cccnc34)C2=O)CC1,[*]N1CCN([*])C1=O,0.43995002,False
7355,Cc1ccc(N2CCN(CCOC3CCCC3)C2=O)cn1,[*]N1CCN([*])C1=O,0.38672906,False
7356,O=C1N(Cc2ccccc2)CCN1Cc1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.3730079,False
7357,C#Cc1cccc2c1OCC(N(CCC)C(C)C)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.67466134,False
7358,CC(C)Oc1cccc(N2CCN(C3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.16082089,False
7359,CN(C)c1ccc(C(=O)NCC=CCN2CCN(c3cccc(OCCF)c3)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.36282873,False
7360,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1C1COOC1,[*]N1CCN([*])C1=O,0.69479144,False
7361,CC12CCC(CC1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.81544286,False
7362,CN(C)Cc1csc(N2CCN(C3CCN(Cc4ccccc4)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.65246487,False
7363,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)-c2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.88746977,False
7364,Cc1ccc(N2CCN(Cc3ccccc3)C2=O)o1,[*]N1CCN([*])C1=O,0.24438204,False
7365,O=C1N(CCN2CCCc3sccc3C2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.5310107,False
7366,CC1CCCN(CN2CCN(c3ccccn3)C2=O)C1,[*]N1CCN([*])C1=O,0.34023649,False
7367,CCN1CCCC1CNC(=O)c1c([N+](=O)[O-])ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.72102404,False
7368,CCN1CCN(CCN2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.54173774,False
7369,O=C1N(CN2Cc3ccccc3C2)CCN1c1scc2ccccc12,[*]N1CCN([*])C1=O,0.58411247,False
7370,CC1(C)CC2CCCN(CCN3CCN(c4ccccc4)C3=O)C2C1,[*]N1CCN([*])C1=O,0.5472595,False
7371,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc(-c2cccc(O)n2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86359966,False
7372,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.90572536,False
7373,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2cscc2c1,[*]N1CCN([*])C1=O,0.8549198,False
7374,O=C1N(CCc2cccc(Cl)c2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.7204755,False
7375,CC1(C)CC2CC1C(C)(CN1CCN(c3cccc(C(F)(F)F)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.45240116,False
7376,CN(CCN1CCN(c2ccccc2Cl)C1=O)CC12CCC(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.62648517,False
7377,COC(C)N1CCN(CCN2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.6134589,False
7378,O=C1N(CCN2CCC(CF)CC2)CCN1c1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.855998,False
7379,CC1(C)C2CCC1(N1CCN(C3CCOOC3)C1=O)CC2,[*]N1CCN([*])C1=O,0.23869185,False
7380,CCN(C)CCN1CCN(c2cccc3c2OCO3)C1=O,[*]N1CCN([*])C1=O,0.5041456,False
7381,Cc1cccc(N)c1C(=O)NCC=CCN1CCN(c2cccc(Cl)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.38631222,False
7382,O=C1N(CCN2CCCCc3sccc32)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.3937657,False
7383,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1ccc(C(F)(F)F)cc1,[*]N1CCN([*])C1=O,0.88894916,False
7384,CC1CCC(NCN2CCN(c3ccccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.27878794,False
7385,CN(Cc1ccccc1)CN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.31802872,False
7386,COc1cccc(N2CCN(CC3CCCN4CN(C)CC34)C2=O)c1,[*]N1CCN([*])C1=O,0.4592209,False
7387,Cc1ccc(N2CCN(CCN3CCN(C)CC3)C2=O)o1,[*]N1CCN([*])C1=O,0.54407036,False
7388,Cc1cccc(N2CCN(CC=CCNC(=O)c3cc4ccccc4cn3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.778834,False
7389,CC(C)N1CCN(c2ccc(Cl)c(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.20330176,False
7390,CN1CCN(CCN2CCN(C34CCC(CC3)C4(C)C)C2=O)C1,[*]N1CCN([*])C1=O,0.52022594,False
7391,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3ccc(OCCF)cc3c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9375324,False
7392,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(-c2ccncc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8645213,False
7393,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(-c2ccc(Br)cc2)[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9138042,False
7394,O=C1N(c2ccc(Cl)cc2)CCN1C1CCCc2ccsc2C1,[*]N1CCN([*])C1=O,0.37380862,False
7395,CC1(C)CC2CN(CCN3CCN(c4ccccc4Cl)C3=O)CC(C)(C2)C1,[*]N1CCN([*])C1=O,0.5744083,False
7396,Cc1sc2ccccc2c1N1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7962047,False
7397,Nc1cccc(C(=O)NCC=CCN2CCN(c3cccc(Cl)c3Cl)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9599666,True
7398,CC1CC2(C)CN(CCN3CCN(c4cccc(Cl)c4)C3=O)CC1C2(C)C,[*]N1CCN([*])C1=O,0.7561234,False
7399,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc3c(c2)Cc2ccccc2-3)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.93539006,True
7400,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccc(F)c(F)c1,[*]N1CCN([*])C1=O,0.8187378,False
7401,O=C1N(Cc2csc3ccccc23)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.47667462,False
7402,CC1(C)CC2(C)CN(CCN3CCN(c4ccccc4Cl)C3=O)C(C)(C1)C2,[*]N1CCN([*])C1=O,0.4144647,False
7403,COc1ccc2cc(C(=O)NCC=CCN3CCN(c4ccccc4OC)CC3)[nH]c2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8972976,False
7404,Cc1c(Cl)cccc1N1CCN(CC=CCNC(=O)c2ccc(F)c(N)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5918448,False
7405,Cc1cc(Cl)ccc1N1CCN(CCN2CCCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.34845874,False
7406,CCCN(C(C)C)C1COc2c(cccc2-c2cccc(C(C)=O)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.34706378,False
7407,CCCN(C(C)C)C1COc2c(cccc2C(=O)Oc2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.40438363,False
7408,CCCN(CSC)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.66957295,False
7409,COc1cccc2c1OCC(N(CCC(=O)N1CCCC13CCCC3)CC1CON1C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.3195317,False
7410,O=C1N(c2ccc(F)cc2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.27867535,False
7411,CN1COc2cc(CN3CCN(Cc4cccc(F)c4)C3=O)ccc21,[*]N1CCN([*])C1=O,0.34738603,False
7412,COc1ccc(N2CCN(CCN3CCOCC3)C2=O)cc1,[*]N1CCN([*])C1=O,0.38988474,False
7413,Cc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(C)c3Cl)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7363513,False
7414,O=C1N(CCN2CCCc3ccccc32)CCN1Cc1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.34146082,False
7415,COC(C)N1CCN(CCN2CC(C)Cc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.5824736,False
7416,COc1cccc(CN2CCN(c3cccc(CN4Cc5ccccc5C4)c3)C2=O)c1,[*]N1CCN([*])C1=O,0.6574306,False
7417,COc1cccc2c1OCC(N(C)CC1CC1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.6039344,False
7418,Cc1ccc(N2CCN(CCN3Cc4ccccc4C3)C2=O)s1,[*]N1CCN([*])C1=O,0.8774238,True
7419,Cn1cccc1N1CCN(CC2CCCCN2)C1=O,[*]N1CCN([*])C1=O,0.40497577,False
7420,O=C1N(CC2CCCCC2)CCN1c1ccc(Cl)cc1Cl,[*]N1CCN([*])C1=O,0.33586174,False
7421,CC1CCN(CCN2CCN(c3ccc4c(c3)OCO4)C2=O)CC1,[*]N1CCN([*])C1=O,0.60115254,False
7422,CCCN(CC)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.56356937,False
7423,O=C1N(CC(=O)N2CCc3c(F)cccc32)CCN1CN1CCN(Cc2ccccc2)CC1,[*]N1CCN([*])C1=O,0.47811794,False
7424,O=C1N(CCN2CCc3ccccc3C2)CCN1Cc1ccncc1,[*]N1CCN([*])C1=O,0.67886037,False
7425,O=C1N(CCN2Cc3ccccc3C2)CCN1CCN1CCCc2sccc2C1,[*]N1CCN([*])C1=O,0.7757541,False
7426,C=CCN1CCCC1CNC(=O)c1c(OC)ccc(CCCC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.6080758,False
7427,CCCN(CC1CCCC1)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.44835985,False
7428,O=C1N(CC2(O)CCCC(C(F)(F)F)C2)CCN1c1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.2744851,False
7429,CC(C)N1CCN(CCN2CCN(c3ccc(C#N)s3)C2=O)CC1,[*]N1CCN([*])C1=O,0.6332812,False
7430,CC(CN1CCN(c2cccc(OC(F)(F)F)c2)C1=O)N1CCCCC1,[*]N1CCN([*])C1=O,0.25196582,False
7431,O=C1N(CCN2Cc3ccccc3C2)CCN1c1c(F)cccc1Cl,[*]N1CCN([*])C1=O,0.85098726,False
7432,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc2ccccc2c1,[*]N1CCN([*])C1=O,0.9193155,False
7433,CC(C)(C)c1cccc(N2CCN(CCN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.77551407,False
7434,COC(C)N1CCN(c2cccc(C(F)(F)F)c2)C1=O,[*]N1CCN([*])C1=O,0.17431358,False
7435,COc1cccc(N2CCN(CN(C)Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.4493618,False
7436,O=C1N(CCN2CCCc3ccccc3C2)CCN1c1ccc(F)cc1,[*]N1CCN([*])C1=O,0.7737065,False
7437,O=C1N(Cc2ccc(Cl)cc2)CCN1c1cc2ccccc2s1,[*]N1CCN([*])C1=O,0.37732866,False
7438,CC(=O)n1ccc2cc(N3CCN(CCN4CCCc5ccccc54)C3=O)ccc21,[*]N1CCN([*])C1=O,0.36701804,False
7439,CCN(C(C)C)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.24843918,False
7440,N#Cc1ccc(N2CCN(CCN3CCc4ccccc4N3)C2=O)cc1,[*]N1CCN([*])C1=O,0.6672773,False
7441,O=C1N(CC2CCCCCN2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.39821267,False
7442,O=C1N(CCN2CCCCCC2)CCN1c1cc(F)c(Cl)cc1F,[*]N1CCN([*])C1=O,0.6032636,False
7443,CC(CN1CCN(CN2Cc3ccccc3C2)C1=O)c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.39278325,False
7444,CCCN(CCC(N)=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6093742,False
7445,CCN1CCCC1CNC(=O)c1c(SC)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9002074,False
7446,Cc1csc(N2CCN(c3ccc(Cl)cc3)C2=O)n1,[*]N1CCN([*])C1=O,0.12885636,False
7447,CC1C(CN2CCN(c3cccc(Cl)c3)C2=O)CCCN1C,[*]N1CCN([*])C1=O,0.68825966,False
7448,CCCN(CC)C1COc2c(cccc2-c2ccccc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.74104077,False
7449,COc1ccccc1N1CCN(CCN2C3CC(CC(C)(C)C3)C2(C)C)C1=O,[*]N1CCN([*])C1=O,0.42738584,False
7450,Cc1cc(Cl)cc(N2CCN(CCN3CCCCCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.7418556,False
7451,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cc(Cl)cc(Cl)c1,[*]N1CCN([*])C1=O,0.84598815,False
7452,O=C(NCC=CCN1CCN(c2c(Cl)cccc2Cl)CC1)c1cc2ccccc2s1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.4974749,False
7453,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cccc(Br)c1,[*]N1CCN([*])C1=O,0.66585016,False
7454,CN(C)Cc1cccc(N2CCN(CCN(C)Cc3ccccc3)C2=O)c1,[*]N1CCN([*])C1=O,0.63376445,False
7455,Cc1cccc(N2CCN(CCN(C)CC34CCC(CC3)C4(C)C)C2=O)c1,[*]N1CCN([*])C1=O,0.81553394,False
7456,O=C(NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1)c1cnc2ccccc2n1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87347883,False
7457,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccc(-c2ccncc2)cc1,[*]N1CCN([*])C1=O,0.8290503,False
7458,CC1(C)C2CCC1(N1CCN(CCN3CCc4ccccc43)C1=O)CC2,[*]N1CCN([*])C1=O,0.53950703,False
7459,CC12CCC(N3CCN(c4cccc(Cl)c4)C3=O)(CC1)C2(C)C,[*]N1CCN([*])C1=O,0.3385287,False
7460,CCN(CC)C1COc2c(cccc2-c2cccc(Cl)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.52278626,False
7461,CCN(CC1CCCC1)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.53151137,False
7462,COC1CC2CCC1CN(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.83538693,False
7463,CN1CCCCCC1N1CCN(c2ccc(Cl)cc2Cl)C1=O,[*]N1CCN([*])C1=O,0.21517558,False
7464,COc1cccc(CN2CCN(CN3CCc4ccccc4C3)C2=O)c1,[*]N1CCN([*])C1=O,0.58409643,False
7465,O=C1CC2(CCCC2)CC(=O)N1CCCN(Cc1ccccc1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.573499,False
7466,O=C1N(CCN2CCCCC2)CCN1c1ccc(Cl)c(Cl)c1,[*]N1CCN([*])C1=O,0.7901447,False
7467,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.65273935,False
7468,CN(Cc1ccccc1)CN1CCN(c2ccc(F)cc2)C1=O,[*]N1CCN([*])C1=O,0.41631705,False
7469,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8927654,False
7470,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1cccc([N+](=O)[O-])c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.72500676,False
7471,O=C1N(CCN2CCCCCC2)CCN1c1cc(F)ccc1Cl,[*]N1CCN([*])C1=O,0.688774,False
7472,O=C1N(CN2Cc3ccccc3C2)CCN1c1cscc1-c1ccccc1,[*]N1CCN([*])C1=O,0.57623315,False
7473,COc1cccc(CN2CCN(CCN3CCc4ccccc4N3)C2=O)c1,[*]N1CCN([*])C1=O,0.6198732,False
7474,Cc1cscc1CN1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.6189718,False
7475,O=C1N(CCN2CCCCc3ccoc3C2)CCN1c1ccco1,[*]N1CCN([*])C1=O,0.5628589,False
7476,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.91557765,False
7477,O=C1N(CCNC2CCCCC2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.32500806,False
7478,CCN(CCC1(O)CCCC1)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.44295037,False
7479,CCOc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2OCCF)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8512351,False
7480,O=C(NCC=CCN1CCN(Cl)CC1)c1cccc(-c2cccc(O)c2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.34496948,False
7481,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccc(-c2ccncc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.98730826,True
7482,O=C(NCC=CCN1CCN(c2ccccc2Cl)CC1)c1ccc(OCCF)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.84173226,False
7483,CC(=O)c1cccc(N2CCN(CC3CCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.3925696,False
7484,CC(CN1CCCCCC1)N1CCN(c2cccc(F)c2)C1=O,[*]N1CCN([*])C1=O,0.23938666,False
7485,O=C1N(CCc2ccccc2)CCN1Cc1cccc(Cl)c1F,[*]N1CCN([*])C1=O,0.45279843,False
7486,CC(CN1CCN(c2cc3ccccc3s2)C1=O)N1CCN(C)CC1,[*]N1CCN([*])C1=O,0.39441052,False
7487,CCN(C(C)C)C1COc2c(cccc2-c2cccnc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.3308966,False
7488,CCN1CCN(c2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.5235767,False
7489,O=C(CNc1ccccc1)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5616854,False
7490,O=C1N(CC2COCCN2)CCN1c1cccc(CN2CCCC2)c1,[*]N1CCN([*])C1=O,0.43255734,False
7491,CC(C)N1CCN(CCN2CCN(c3ccc(Cl)cc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.6697348,False
7492,CC1C2CCC1N(CCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.6301613,False
7493,CCCN(CCC)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7076188,False
7494,Cc1cccc(N2CCN(CCN3CCOCC3)C2=O)c1,[*]N1CCN([*])C1=O,0.4362993,False
7495,O=C(CCN(CCc1ccccc1)C1COc2c(Br)cccc2C1)N1CCCCC1,[*]CN([*])C1COc2c([*])cccc2C1,0.24043106,False
7496,COc1c(C(=O)NCCN2CCN(c3ccc(Oc4ccccc4)cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.8723478,False
7497,Cc1csc(N2CCN(CCc3ccccc3)C2=O)n1,[*]N1CCN([*])C1=O,0.2584936,False
7498,CN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.5321254,False
7499,Cc1ccc(N2CCN(CC(C)N3CCCCC3)C2=O)cc1Cl,[*]N1CCN([*])C1=O,0.24706751,False
7500,O=C1N(CCN2CCC(CF)CC2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.73075885,False
7501,O=C1N(Cc2cc(F)cc(Cl)c2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.62222165,False
7502,CC(C)c1ccccc1N1CCN(CCN2CCc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.60626537,False
7503,CCCN(CCC(N)=O)C1COc2c(Br)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6612888,False
7504,CCCN(CCCN1C(=O)CC2(CCCC2)CC1=O)C1COc2c(F)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6824395,False
7505,Cc1ccccc1N1CCN(CCN2CCN(C)CC2)C1=O,[*]N1CCN([*])C1=O,0.62271345,False
7506,CN1CCN(Cc2ccccc2)C1N1CCN(C23CCC(CC2)C3(C)C)C1=O,[*]N1CCN([*])C1=O,0.37949887,False
7507,O=C(Cc1cc2ccccc2[nH]1)NCC=CCN1CCN(c2cccc(OCCF)c2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.2796189,False
7508,O=C1N(CCN2CCN(CCF)CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8460144,False
7509,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(F)nc1,[*]N1CCN([*])C1=O,0.5348094,False
7510,Cc1ccc(N2CCN(CC3CCCCN3)C2=O)cc1F,[*]N1CCN([*])C1=O,0.4783722,False
7511,O=C1N(CC2CCCCN2)CCN1c1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.51629245,False
7512,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.7880518,False
7513,O=C1N(CCN2CCCCCC2)CCN1c1ncccn1,[*]N1CCN([*])C1=O,0.7443065,False
7514,O=C1N(CCN2CCc3ccccc32)CCN1Cc1cccc(F)c1,[*]N1CCN([*])C1=O,0.4734845,False
7515,CCCN(C)C1COc2c(cccc2-c2cccc(OC(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.51996154,False
7516,Cc1cccc(N2CCN(CC=CCNC(=O)c3cccc4c3-c3ccccc3C4)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.76566976,False
7517,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2cc(O)[nH]c2cc1O,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8605532,False
7518,O=C(c1cccc(Cl)c1)N1CCN(C2CCNCC2)C1=O,[*]N1CCN([*])C1=O,0.19505501,False
7519,CC(C)N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.58273906,False
7520,CN(CC1CCCCC1)CN1CCN(c2ccccc2F)C1=O,[*]N1CCN([*])C1=O,0.3205873,False
7521,Cc1ccc(N2CCN(CCN3CCCc4ccccc43)C2=O)s1,[*]N1CCN([*])C1=O,0.42625746,False
7522,Cc1csc(N2CCN(CCN3CCN(C)CC3)C2=O)c1,[*]N1CCN([*])C1=O,0.64546037,False
7523,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2ccccc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.96491194,True
7524,O=C1N(CCN2C3CCC2CC3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5044851,False
7525,COc1cccc(N2CCN(CC=CCNC(=O)Cc3ccc(OCCF)cc3)CC2)c1OC,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6065559,False
7526,COc1ccccc1N1CCN(CC=CCNC(=O)c2cc3ccccc3o2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9517454,False
7527,Cc1ccc(N2CCN(C34CCC(CC3)C4(C)C)C2=O)cc1,[*]N1CCN([*])C1=O,0.20727776,False
7528,O=C1N(CCN2CCCCCC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.9283396,True
7529,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.5181157,False
7530,CCCCN(CCC)C1COc2c(cccc2-c2cccnc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6040997,False
7531,CCCN(CC(C)C)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.49437147,False
7532,COc1ccc(N2CCN(CC3COCCN3)C2=O)cc1,[*]N1CCN([*])C1=O,0.28987187,False
7533,Cc1cccc(N2CCN(CC3CCCCCN3)C2=O)c1,[*]N1CCN([*])C1=O,0.509593,False
7534,O=C1N(CCN2Cc3ccc(Cl)cc3C2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.71544003,False
7535,COCC1CCN(CN2CCN(c3cccc(Cl)n3)C2=O)CC1,[*]N1CCN([*])C1=O,0.52670664,False
7536,O=C1N(CCN2CCCCC2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.6276719,False
7537,O=C1N(CCN2CCCCCCC2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.7955524,False
7538,O=C1N(CCOC2CCCC2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.39335835,False
7539,O=C1N(CN2Cc3ccccc3C2)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.58664346,False
7540,CCN(C(C)C)C1COc2c(cccc2C(=O)c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.22924522,False
7541,CCN(CCC(=O)N1CCC(C)CC1)C1COc2c(Cl)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.25851145,False
7542,COc1cccc2c1CC1CCC2CN1CCN1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.4777483,False
7543,N#COc1ccccc1N1CCN(CCN2CCC(C(F)(F)F)CC2)C1=O,[*]N1CCN([*])C1=O,0.72821146,False
7544,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.8068154,False
7545,CC(C)N1CCN(c2ccc(Cl)cc2Cl)C1=O,[*]N1CCN([*])C1=O,0.18869351,False
7546,CCN1CCCC1CNC(=O)c1c(O)ccc(Br)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.9388456,False
7547,Cc1ccc(N2CCN(CCN3CCN(c4cccc(Cl)c4)CC3)C2=O)s1,[*]N1CCN([*])C1=O,0.76917,False
7548,O=C1N(CN2CCC(C(F)(F)F)CC2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.54337573,False
7549,COc1cccc(-c2ccc(C(=O)NCC=CCN3CCN(c4cccc(C)c4Cl)CC3)cc2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7673303,False
7550,COc1ccccc1C(=O)NCC=CCN1CCN(c2cccc(C(F)(F)F)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.87344223,False
7551,Cc1ccc(N2CCN(CN3Cc4ccccc4C3)C2=O)cc1F,[*]N1CCN([*])C1=O,0.56496763,False
7552,O=C(CCOc1ccccc1)NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.68895936,False
7553,CCN1CCCC1CNC(=O)c1c(Cl)ccc(F)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8261626,False
7554,Cc1ccc(N2CCN(CN3Cc4ccccc4C3)C2=O)c(C)c1,[*]N1CCN([*])C1=O,0.52665555,False
7555,O=C1N(CCN2CC3CC4CCC3(CC4)C2)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5906025,False
7556,O=C1N(CCN2CC3CCC2CC3)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.52050084,False
7557,CC(C)N1CCN(c2ccccc2Cl)C1=O,[*]N1CCN([*])C1=O,0.22518554,False
7558,CN(Cc1ccccc1)CN1CCN(CN2CCc3ccccc32)C1=O,[*]N1CCN([*])C1=O,0.34179765,False
7559,COC(=O)c1cccc2c1OCC(N(CCC(=O)N1CCC(C)CC1)CCc1ccccc1)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.23724581,False
7560,O=C1N(CC(=O)N2CCc3ccccc32)CCN1Cc1cccc(F)c1,[*]N1CCN([*])C1=O,0.16006476,False
7561,O=C1N(CCN2CC3CCC2C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.48704538,False
7562,COc1cccc(NC(=O)C(=O)NCC=CCN2CCN(c3ccccc3OCCF)CC2)c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.57208806,False
7563,Cc1cccc(N2CCN(CC=CCNC(=O)c3ccc(-c4ccccc4Cl)cc3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.7961366,False
7564,O=C(NCC=CCN1CCN(c2ccccn2)CC1)c1ccc2c(c1)Cc1ccccc1-2,[*]C(=O)NCC=CCN1CCN([*])CC1,0.52696085,False
7565,CCN(CC)C1COc2c(N)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6893631,False
7566,CCN1CCCC1CNC(=O)c1c(O)ccc(O)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.95347756,False
7567,O=C1N(C2CCCN(Cc3ccccc3)C2)CCN1C1CCC[S+]([O-])C1,[*]N1CCN([*])C1=O,0.34924465,False
7568,O=C1N(CC2CCCNC2)CCN1c1cccc(Cl)c1Cl,[*]N1CCN([*])C1=O,0.42622688,False
7569,CC(C)N1CCN(CCN2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.7870004,False
7570,COc1cccc2cc(C(=O)NCC=CCN3CCN(c4cccc(Cl)c4Cl)CC3)oc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8594046,False
7571,O=C(NCC=CCN1CCN(c2ccc(Cl)c(Cl)c2)CC1)c1ccncc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5069255,False
7572,O=C(NCC=CCN1CCN(c2cccc(Cl)c2F)CC1)c1csc2ccccc12,[*]C(=O)NCC=CCN1CCN([*])CC1,0.67903054,False
7573,CC1CCN(CCN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.68587697,False
7574,CCCN(CCC)C1COc2c(cccc2C(F)(F)c2ccc(F)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.78264606,False
7575,O=C1N(CCN2CCCCCC2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.5960082,False
7576,O=C1N(CCOC2CCCC2)CCN1c1cccc(F)c1,[*]N1CCN([*])C1=O,0.6489733,False
7577,CCN1CCCC1CN1CCN(c2ccc3c(c2)OCO3)C1=O,[*]N1CCN([*])C1=O,0.4673029,False
7578,CN(C)Cc1cccc(N2CCN(CCN3Cc4ccccc4NC3=O)C2=O)c1,[*]N1CCN([*])C1=O,0.6714764,False
7579,CN(Cc1ccccc1)CN1CCN(Cc2cc3ccccc3s2)C1=O,[*]N1CCN([*])C1=O,0.38381588,False
7580,COc1ccccc1N1CCN(CC=CCNC(=O)c2c[nH]c3c(OC)cccc23)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.83322775,False
7581,CN(C)Cc1csc(N2CCN(C3CCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.53406525,False
7582,COc1c(C(=O)NCCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc(Br)c2ccccc12,[*]c1c(C(=O)NCCN2CCN([*])CC2)cc(Br)c2ccccc12,0.857215,True
7583,N#Cc1cc(N2CCN(CN3Cc4ccccc4C3)C2=O)ccc1F,[*]N1CCN([*])C1=O,0.6232536,False
7584,CC(C)N1CCN(C(C)N2CCN(c3cccc(Cl)c3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.18056636,False
7585,CN(C)Cc1cc(CN2CCN(c3ccccc3Cl)C2=O)no1,[*]N1CCN([*])C1=O,0.19342758,False
7586,Cc1ccccc1N1CCN(Cc2cccc(Cl)c2F)C1=O,[*]N1CCN([*])C1=O,0.25598356,False
7587,O=C1N(CC2CCNCC2)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.50412333,False
7588,CN(C)CCN1CCN(c2cccc(O)c2)C1=O,[*]N1CCN([*])C1=O,0.5797671,False
7589,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccccc1F,[*]C(=O)NCC=CCN1CCN([*])CC1,0.90741974,True
7590,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1ccc(Oc2ccccc2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9472456,False
7591,O=C1N(CCN2CCCCCC2)CCN1c1cc(Cl)cc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.8257583,False
7592,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccccc1-c1nccs1,[*]N1CCN([*])C1=O,0.5527899,False
7593,CC12CCCC3(CCN1CCN1CCN(c4cccc(Cl)c4)C1=O)CCC32C,[*]N1CCN([*])C1=O,0.69729835,False
7594,CCCN(CC)C1COc2c(C=O)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.6720628,False
7595,O=C1N(CC2CCNC2)CCN1c1cccc(Cl)n1,[*]N1CCN([*])C1=O,0.43010193,False
7596,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.5994294,False
7597,C=CCN1CCCC1CNC(=O)c1c(CCC)ccc(OC)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.5487816,False
7598,COc1cccc(N2CCN(CN3CCCCCC3C)C2=O)c1,[*]N1CCN([*])C1=O,0.3949378,False
7599,O=C1N(CCN2CCCCCC2)CCN1c1cnccn1,[*]N1CCN([*])C1=O,0.68561256,False
7600,O=C1N(CCN2Cc3ccccc3C2)CCN1Cc1cccc(OC(F)(F)F)c1,[*]N1CCN([*])C1=O,0.815361,False
7601,CCCN(CC1CCCC1)C1COc2c(cccc2-c2cccs2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.64767474,False
7602,Cc1ccccc1CN1CCN(CCN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.7846388,False
7603,O=C1N(CCN2CCCCCC2)CCN1c1cccnc1,[*]N1CCN([*])C1=O,0.85339165,True
7604,O=C1N(CCN2CCc3cnc4ccccc4c3C2)CCN1c1cccc2cccnc12,[*]N1CCN([*])C1=O,0.49917677,False
7605,CCCN(CCCF)C1COc2c(cccc2OC)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.7244711,False
7606,Cc1ccccc1C(=O)NCC=CCN1CCN(c2ccccc2Cl)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.70974565,False
7607,O=C1N(CCN2CCCc3sccc3C2)CCN1c1cccc(C(F)(F)F)c1,[*]N1CCN([*])C1=O,0.7640969,False
7608,O=C1N(CCN2CCN(c3cccc(Cl)c3)CC2)CCN1c1ccc(F)c(Cl)c1,[*]N1CCN([*])C1=O,0.82936263,False
7609,COc1cccc2c1OCC(N(CCN1CCN(c3cccc(Cl)c3Cl)CC1)C(C)=O)C2,[*]CN([*])C1COc2c([*])cccc2C1,0.80116135,False
7610,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cc(Cl)ccc1Cl,[*]N1CCN([*])C1=O,0.69590026,False
7611,O=C1N(CN2CCCCCC2)CCN1c1ccccn1,[*]N1CCN([*])C1=O,0.32227653,False
7612,O=C1N(c2cccc3ccccc23)CCN1C1CCCCN1,[*]N1CCN([*])C1=O,0.26099002,False
7613,CCCN(C(C)C)C1COc2c(CO)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.63511837,False
7614,CCCN(CCCNC(C)=O)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.4592817,False
7615,O=C1N(CCN2C3CCCC2Cc2ccccc2C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.54427004,False
7616,O=C1N(CCN2CCCCC2CF)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.37221807,False
7617,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.8110215,False
7618,CC1(C)CC2CC(C)(CN2CCN2CCN(c3cccc(Cl)n3)C2=O)C1,[*]N1CCN([*])C1=O,0.4135615,False
7619,CCN(C)CCN1CCN(c2cccc(C(C)=O)c2)C1=O,[*]N1CCN([*])C1=O,0.4889929,False
7620,COCC12CCCC1N(CCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.78729194,False
7621,CC(C)N1CCC(CN2CCN(c3cccc(Cl)c3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.3505843,False
7622,CC(C)N1CCN(CCN2CCN(c3ccccc3Cl)C2=O)CC1,[*]N1CCN([*])C1=O,0.7255343,False
7623,CN1CC2CCC(CCN3CCN(c4ccccc4Cl)C3=O)(C2)C1,[*]N1CCN([*])C1=O,0.3718756,False
7624,O=C1N(c2ccccn2)CCN1C1CCCNCC1,[*]N1CCN([*])C1=O,0.32645813,False
7625,CCCN(CC1CC1)C1COc2c(cccc2-c2ccco2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.61229223,False
7626,CN1CCN(CCN2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1,[*]N1CCN([*])C1=O,0.76602215,False
7627,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccc(OCCF)cc2)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.9893955,True
7628,O=C1N(CCN2CC3CCC2CC3)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.6018221,False
7629,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cscc1-c1ccccc1,[*]N1CCN([*])C1=O,0.6302826,False
7630,CC(CN1CCN(CCN2Cc3ccccc3C2)C1=O)c1ccccc1,[*]N1CCN([*])C1=O,0.59956986,False
7631,O=C1N(CCN2CCc3ccsc3CC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.705154,False
7632,CC1(C)CCCN(CCN2CCN(c3ccccc3Cl)C2=O)C1,[*]N1CCN([*])C1=O,0.50779474,False
7633,CCN(C(C)C)C1COc2c(Cc3ccsc3)cccc2C1,[*]CN([*])C1COc2c([*])cccc2C1,0.48130962,False
7634,Cc1ccc(CN2CCN(CCN3CCCc4ccccc43)C2=O)cc1,[*]N1CCN([*])C1=O,0.355597,False
7635,O=C1N(CN2CCCCC2C(F)(F)F)CCN1c1ccc2c(c1)OCO2,[*]N1CCN([*])C1=O,0.3412579,False
7636,CCN(C(C)C)C1COc2c(cccc2-c2ccc(C(C)=O)cc2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.27804315,False
7637,Cc1cccc(N2CCN(CC=CCNC(=O)c3cc(-c4ccccc4)on3)CC2)c1Cl,[*]C(=O)NCC=CCN1CCN([*])CC1,0.5923038,False
7638,O=C1N(CCN2Cc3ccccc3C2)CCN1c1nscc1-c1ccccc1,[*]N1CCN([*])C1=O,0.81356156,False
7639,N#Cc1ccc2cc(N3CCN(CN4Cc5ccccc5C4)C3=O)ccc2c1,[*]N1CCN([*])C1=O,0.54337037,False
7640,O=C1N(c2ccc(C(F)(F)F)cc2)CCN1c1cccc(-c2cccs2)c1,[*]N1CCN([*])C1=O,0.22316861,False
7641,COc1ccccc1N1CCN(CN2Cc3ccccc3C2)C1=O,[*]N1CCN([*])C1=O,0.5164133,False
7642,O=C1N(CCN2CCc3ccccc3C2)CCN1C(=O)n1ccc2ccccc21,[*]N1CCN([*])C1=O,0.46474546,False
7643,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccsc1-c1ccccc1,[*]N1CCN([*])C1=O,0.86592066,False
7644,CCc1ccc(C)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8771829,False
7645,O=C(NCC=CCN1CCN(c2cccc(F)c2Cl)CC1)c1ccc2ccccc2c1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8927691,False
7646,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(-c2ccccc2)nc1,[*]N1CCN([*])C1=O,0.50677806,False
7647,CN(Cc1ccccc1)CN1CCN(c2cccc(C#N)c2)C1=O,[*]N1CCN([*])C1=O,0.4944831,False
7648,CN(Cc1cccs1)CN1CCN(c2ccc3c(c2)OCO3)C1=O,[*]N1CCN([*])C1=O,0.38999012,False
7649,CC(=O)N1CCN(C23CCC(CC2)C3(C)C)C1=O,[*]N1CCN([*])C1=O,0.12469473,False
7650,CC1(C)C2CCC1N(CCN1CCN(c3cccc(Cl)c3)C1=O)CC2,[*]N1CCN([*])C1=O,0.6806591,False
7651,O=C1N(CC2CCCC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.6718525,False
7652,O=C1N(CCOC2CCCC2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.45000324,False
7653,CN1CCN(CCN2CCN(C34CCC(CC3)C4(C)C)C2=O)CC1,[*]N1CCN([*])C1=O,0.5059079,False
7654,CCN1CCCC1CNC(=O)c1c(Br)ccc(Cl)c1OC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.90494037,False
7655,O=C1N(CCN2CC3CCC(CC3)C2)CCN1c1ccc(Cl)cc1,[*]N1CCN([*])C1=O,0.7286251,False
7656,O=C1N(Cc2ccccc2)CCN1CC1Cc2ccccc2N1,[*]N1CCN([*])C1=O,0.5711732,False
7657,COC(=O)N1CCN(C23CCC(CC2)C3(C)C)C1=O,[*]N1CCN([*])C1=O,0.08802027,False
7658,O=C1N(CC2CNCNC2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.67479444,False
7659,O=C1N(Cc2cccc(OC(F)(F)F)c2)CCN1CN1Cc2ccccc2C1,[*]N1CCN([*])C1=O,0.5931165,False
7660,O=C(NCC=CCN1CCN(c2ccccc2OCCF)CC1)c1cc2ccc(O)cc2[nH]1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.938711,False
7661,O=C1N(CCN2CCc3ccccc3C2)CCN1c1ccc(F)nc1,[*]N1CCN([*])C1=O,0.6989283,False
7662,O=C1N(CCN2CCc3ccccc3N2)CCN1c1cccc(-c2ccccc2)c1,[*]N1CCN([*])C1=O,0.64798146,False
7663,CCOc1ccc(Br)c(OC)c1C(=O)NCC1CCCN1CC,[*]Oc1c([*])ccc([*])c1C(=O)NCC1CCCN1[*],0.8664788,False
7664,Cc1cc(CN2CCN(c3cc(Cl)cc(Cl)c3)C2=O)on1,[*]N1CCN([*])C1=O,0.21746019,False
7665,O=C(NCC=CCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccco1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.8467756,False
7666,CN1CCCCC1(C)CN1CCN(c2ccccc2)C1=O,[*]N1CCN([*])C1=O,0.44634596,False
7667,CN1CCCCCC1CN1CCN(c2ccc(Cl)cc2)C1=O,[*]N1CCN([*])C1=O,0.44927362,False
7668,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(F)c1Cl,[*]N1CCN([*])C1=O,0.8536221,False
7669,O=C1N(CCN2Cc3ccccc3C2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.90509194,False
7670,CC12CCC(C)(C)C(C1)N(CCN1CCN(c3cccc(Cl)c3)C1=O)C2,[*]N1CCN([*])C1=O,0.8302987,False
7671,CN(C)Cc1cccc(N2CCN(CC3CCc4ccccc43)C2=O)c1,[*]N1CCN([*])C1=O,0.5941957,False
7672,O=C(NCC=CCN1CCN(c2cccc(CF)c2Cl)CC1)c1ccccn1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.86971927,False
7673,O=C1N(CCN2CCC(C(F)(F)F)CC2)CCN1c1ccccc1F,[*]N1CCN([*])C1=O,0.7737895,False
7674,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cccc(-c2nccs2)c1,[*]N1CCN([*])C1=O,0.798947,False
7675,CN(Cc1cccs1)CN1CCN(c2cccc(CN3CCCC3)c2)C1=O,[*]N1CCN([*])C1=O,0.42404702,False
7676,O=C1N(CCN2CCC3CCC2C3)CCN1c1ccccc1Cl,[*]N1CCN([*])C1=O,0.5065079,False
7677,CCCN(CC)C1COc2c(cccc2-c2cccc(C(F)(F)F)c2)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.67360926,False
7678,O=C1N(c2cccs2)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.19240716,False
7679,CC1Cc2ccccc2N1CCN1CCN(Cc2cccc(Cl)c2)C1=O,[*]N1CCN([*])C1=O,0.52501637,False
7680,O=C1N(Cc2ccc3sccc3c2)CCN1c1cccc(Cl)c1,[*]N1CCN([*])C1=O,0.41059047,False
7681,O=C1N(CC2CCC(O)CN2)CCN1c1ccccc1,[*]N1CCN([*])C1=O,0.3789578,False
7682,O=C1N(CCN2Cc3ccccc3C2)CCN1c1cc2cccnc2s1,[*]N1CCN([*])C1=O,0.80757654,False
7683,O=C1N(c2ccc(Cl)cc2Cl)CCN1C1CCCNC1,[*]N1CCN([*])C1=O,0.2394228,False
7684,CCC(C)N(CC)C1COc2c(cccc2C(C)=O)C1,[*]CN([*])C1COc2c([*])cccc2C1,0.24969387,False
7685,O=C1N(CCN2CCc3ccccc3C2)CCN1c1cccs1,[*]N1CCN([*])C1=O,0.5393746,False
7686,COC(C)N1CCN(CCN2CCCCCC2)C1=O,[*]N1CCN([*])C1=O,0.54027563,False
7687,COc1ccccc1-c1ccc(C(=O)NCC=CCN2CCN(c3cccc(C)c3OC)CC2)cc1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.6275527,False
7688,COc1ccccc1N1CCN(CC=CCNC(=O)c2ccccc2F)CC1,[*]C(=O)NCC=CCN1CCN([*])CC1,0.89616984,False
7689,O=C1N(CN2Cc3ccccc3C2)CCN1c1ccc(Cl)c(F)c1,[*]N1CCN([*])C1=O,0.59554857,False