smiles,logS0,random,diversity
C(\C=C\c1ccccc1)N1CCN(CC1)C(c1ccccc1)c1ccccc1,-5.34,0,1
C(c1ccccc1)n1ccnc1,-2.26,0,1
C1Cc2ccccc2N1,-1.04,0,1
C1O[C@H]1c1ccccc1,-1.6,1,2
C=CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,-2.346,0,1
C=CCC1(CC=C)C(=O)NC(=O)NC1=O,-1.796,1,2
C=CCS[S@@](=O)CC=C,-0.83,0,1
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](C[C@]12C)c1ccc(cc1)N(C)C,-5.825,0,1
CC(=C)[C@@H]1CC=C(C)C(=O)C1,-2.06,0,1
CC(=C)[C@H]1CC=C(C)C(=O)C1,-2.06,0,0
CC(=O)C(C)(C)C,-0.723666667,1,2
CC(=O)CCCCn1c(=O)n(C)c2ncn(C)c2c1=O,-0.558,0,1
CC(=O)C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O,-4.761,1,2
CC(=O)N1CCN(CC1)c1ccc(OC[C@H]2CO[C@@](Cn3ccnc3)(O2)c2ccc(Cl)cc2Cl)cc1,-3.8,0,1
CC(=O)NC(N)=O,-0.9,0,1
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCN(CC2)C(=O)CO)c(F)c1,-1.97,1,2
CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCOCC2)c(F)c1,-2.07,0,1
CC(=O)NCc1c(I)c(NC(C)=O)c(I)c(C(O)=O)c1I,-2.321,0,0
CC(=O)NS(=O)(=O)c1ccc(N)cc1,-1.5135,1,2
CC(=O)Nc1c(I)c(NC(C)=O)c(I)c(C(O)=O)c1I,-2.788,0,1
CC(=O)Nc1ccc(C=O)cc1,-1.58,1,2
CC(=O)Nc1ccc(Cl)cc1,-2.842,0,0
CC(=O)Nc1ccc(F)cc1,-1.78,0,1
CC(=O)Nc1ccc(N)cc1,-0.98,1,2
CC(=O)Nc1ccc(O)cc1,-1.064,0,0
CC(=O)Nc1ccc(OC(C)=O)cc1,-1.91,1,2
CC(=O)Nc1ccc(cc1)S(N)(=O)=O,-1.61,0,1
CC(=O)Nc1ccc(cc1)[N+]([O-])=O,-2.691333333,0,1
CC(=O)Nc1cccc(C)c1,-2.09,0,1
CC(=O)Nc1ccccc1,-1.398,0,0
CC(=O)Nc1ccccc1Cl,-1.4,0,1
CC(=O)Nc1ccccc1[N+]([O-])=O,-1.91,0,1
CC(=O)Nc1nnc(s1)S(N)(=O)=O,-2.462,0,1
CC(=O)OC1CCCCC1,-1.67,0,1
CC(=O)OCC(COC(C)=O)OC(C)=O,-0.6,1,2
CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc1cccs1)C2=O)C(O)=O,-2.938,0,1
CC(=O)O[C@@H]1C2=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)c3ccccc3)[C@@H]3[C@@]4(CO[C@@H]4C[C@H](O)[C@@]3(C)C1=O)OC(C)=O)C2(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)c1ccccc1)c1ccccc1,-6.63,0,1
CC(=O)O[C@]1(C(C)=O)C(=C)C[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,-5.57,0,1
CC(=O)Oc1ccccc1C(O)=O,-1.75,0,1
CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12,-4.173,0,1
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,-4.42,0,0
CC(=O)c1ccc(N)cc1,-1.61,0,0
CC(=O)c1cccc(N)c1,-1.28,0,1
CC(=O)c1ccccc1,-1.29,0,0
CC(C)(C)C(C)(C)O,-0.72,0,0
CC(C)(C)CCCO,-1.55,0,0
CC(C)(C)CCO,-0.5,0,1
CC(C)(C)CO,-0.4,0,0
CC(C)(C)COC(N)=O,-0.8,0,1
CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC=C4C=C(CC[C@]4(C)[C@H]3CC[C@]12C)C(O)=O,-8.7585,0,1
CC(C)(C)NC[C@H](O)COc1ccc(NC(=O)NC2CCCCC2)cc1,-3.62,0,1
CC(C)(C)NC[C@H](O)COc1cccc2C[C@@H](O)[C@@H](O)Cc12,-1.57,0,1
CC(C)(C)NC[C@H](O)c1ccc(O)c(CO)c1,-1.224,1,2
CC(C)(C)OC(N)=O,0.1,0,1
CC(C)(C)c1ccc(O)cc1,-2.41,0,1
CC(C)(C)c1ccc(cc1)[C@@H](O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1,-6.69,0,1
CC(C)(N)C(O)=O,0.21,0,1
CC(C)(O\N=C(\C(=O)N[C@H]1[C@H]2SCC(C[n+]3ccccc3)=C(N2C1=O)C(O)=O)c1csc(N)n1)C(O)=O,-2.038,0,1
CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(O)=O,-4.8,1,2
CC(C)(S)[C@@H](N)C(O)=O,-0.13,0,0
CC(C)(S)[C@H](N)C(O)=O,-0.128,0,1
CC(C)=CCC1(C)C(=O)NC(=O)NC1=O,-2.602,0,1
CC(C)=CCC[C@](C)(O)C=C,-1.99,0,1
CC(C)=CCC\C(C)=C/CO,-2.46,0,1
CC(C)=CCC\C(C)=C\C=O,-2.06,0,1
CC(C)C(=O)C(C)C,-1.3,0,1
CC(C)C(C)(C)O,-0.41,1,2
CC(C)C(O)C(C)C,-1.13725,0,1
CC(C)C1(C(C)C)C(=O)NC(=O)NC1=O,-2.766,0,1
CC(C)C1(CC=C(C)C)C(=O)NC(=O)NC1=O,-2.593,1,2
CC(C)C1(CC=C)C(=O)NC(=O)NC1=O,-1.71,1,2
CC(C)C1C(=O)NC(=O)NC1=O,-1.456,1,2
CC(C)CC(C)(C)O,-0.92,0,1
CC(C)CC(C)=O,-0.966666667,0,1
CC(C)CC1(CC=C)C(=O)NC(=O)NC1=O,-2.119,0,1
CC(C)CCC(C)=O,-1.33,1,2
CC(C)CCCO,-1.14,0,1
CC(C)CCO,-0.513333333,0,0
CC(C)CCOC(C)=O,-1.92,0,1
CC(C)CCOC=O,-1.52,0,1
CC(C)CC[C@@H](C)O,-1.38,0,1
CC(C)CNC(=O)N1CCNC1=O,-2.15,0,1
CC(C)COC(=O)C=C,-1.21,0,1
CC(C)COC(C)=O,-1.22,0,1
CC(C)COC=O,-1.01,0,1
CC(C)C[C@@H](C)O,-0.79625,0,1
CC(C)C[C@H](C)CO,-1.6,0,1
CC(C)C[C@H](N)C(O)=O,-0.75,0,1
CC(C)Cc1ccc(cc1)[C@@H](C)C(O)=O,-3.595,1,2
CC(C)Cn1c(C)nc2n(C)c(=O)n(C)c(=O)c12,-1.599,0,0
CC(C)Cn1cnc2n(C)c(=O)n(C)c(=O)c12,-0.942,0,0
CC(C)N(C(=O)CCl)c1ccccc1,-2.48,0,1
CC(C)N(CC[C@@](C(N)=O)(c1ccccc1)c1ccccn1)C(C)C,-3.1,0,1
CC(C)N(CC[C@H](c1ccccc1)c1cc(C)ccc1O)C(C)C,-2.58,0,1
CC(C)NC(=O)N1CC(=O)N(C1=O)c1cc(Cl)cc(Cl)c1,-4.405,0,1
CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1,-1.3,1,2
CC(C)NC[C@H](O)COc1ccc(COCCOC(C)C)cc1,-1.93,0,1
CC(C)NC[C@H](O)COc1cccc2[nH]ccc12,-3.88,0,1
CC(C)NC[C@H](O)COc1cccc2ccccc12,-3.7075,0,1
CC(C)NC[C@H](O)COc1ccccc1CC=C,-2.82,0,1
CC(C)NC[C@H]1CCc2cc(CO)c(cc2N1)[N+]([O-])=O,-2.965,0,1
CC(C)Nc1cccnc1N1CCN(CC1)C(=O)c1cc2cc(NS(C)(=O)=O)ccc2[nH]1,-5.74,0,1
CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c1ccc(Cl)cc1,-5.712,0,1
CC(C)OC(C)=O,-0.563,0,1
CC(C)OC(C)C,-1.1,0,1
CC(C)OC=O,-0.63,1,2
CC(C)SC(C)C,-2.24,0,1
CC(C)[C@@H](C)O,-0.186666667,0,1
CC(C)[C@@H]1CC[C@@H](C)CC1=O,-2.396666667,0,1
CC(C)[C@H](C)CO,-0.39,0,1
CC(C)[C@H]1CC[C@H](C)C[C@@H]1O,-2.53,0,1
CC(C)[N+]([O-])=O,-0.62,0,1
CC(C)\N=c1/cc2n(-c3ccc(Cl)cc3)c3ccccc3nc2cc1Nc1ccc(Cl)cc1,-5.8,0,1
CC(C)c1ccc(C)c(O)c1,-2.08,0,1
CC(C)c1ccc(C)cc1O,-2.186,0,1
CC(C)c1ccc(NC(=O)N(C)C)cc1,-3.469,0,1
CC(C)c1nc(nc(-c2ccc(F)cc2)c1\C=C\[C@@H](O)C[C@@H](O)CC(O)=O)N(C)S(C)(=O)=O,-2.48,1,2
CC(C)n1c(\C=C\[C@H](O)C[C@H](O)CC(O)=O)c(-c2ccc(F)cc2)c2ccccc12,-3.83,0,1
CC1(C(=O)NC(=O)NC1=O)c1ccccc1,-2.38,1,2
CC1(C)C(=O)NC(=O)NC1=O,-1.742,0,1
CC1(C)CON(Cc2ccccc2Cl)C1=O,-2.338,0,1
CC1(C)N(Cl)C(=O)N(Cl)C1=O,-2.6,0,1
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccc(O)cc3)C(=O)N2[C@H]1C(O)=O,-2.031,0,1
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](N)c3ccccc3)C(=O)N2[C@H]1C(O)=O,-1.539,0,0
CC1(C)[C@@H]2CC[C@@](C)(C2)C1=O,-1.85,0,1
CC1(C)[C@H]2CC[C@]1(C)C(=O)C2,-2.086,0,1
CC1(C)[C@H]2CC[C@]1(C)[C@H](O)C2,-2.32,1,2
CC1(CC=C)C(=O)NC(=O)NC1=O,-1.16,1,2
CC1=C(C(=O)Nc2ccccc2)S(=O)(=O)CCO1,-2.3555,0,1
CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1ccc(cc1)[S@](C)=O,-4.78,0,1
CC1=C(CCCO1)C(=O)Nc1ccccc1,-2.56,0,1
CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CCC=CC1)C2=O)C(O)=O,-1.215,0,1
CC1=CC(=O)CC(C)(C)C1,-1.06,0,1
CC1=NS(=O)(=O)c2cc(Cl)ccc2N1,-3.481,0,1
CC1C(=O)NC(=O)NC1=O,-1.126,0,1
CCC(=O)Nc1ccccc1,-1.92,0,0
CCC(=O)OC,-0.14,0,1
CCC(=O)O[C@@](Cc1ccccc1)([C@H](C)CN(C)C)c1ccccc1,-4.985,0,1
CCC(=O)c1ccccc1,-1.83,0,0
CCC(Br)(CC)C(=O)NC(N)=O,-2.68,0,1
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12,-4.145,0,1
CCC(C)(C)CO,-1.04,0,0
CCC(C)(C)O,0.088175,0,1
CCC(C)(O)CC,-0.366666667,0,1
CCC(CC)C=O,-1.52,1,2
CCC(CC)CO,-1.17,0,1
CCC(O)(CC)CC,-0.85,0,1
CCC(O)CC,-0.239,0,1
CCC1(C(=O)NC(=O)NC1=O)C1=CCCCC1,-2.273,0,0
CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1,-3,0,1
CCC1(C(=O)NC(=O)NC1=O)C1=C[C@@H]2CC[C@@H](C2)C1,-2.773,1,2
CCC1(C(=O)NC(=O)NC1=O)c1ccccc1,-2.293,0,0
CCC1(C(=O)NCNC1=O)c1ccccc1,-2.64,1,2
CCC1(C(C)C)C(=O)NC(=O)NC1=O,-2.153,1,2
CCC1(C)C(=O)NC(=O)NC1=O,-1.162,1,2
CCC1(CC)C(=O)NC(=O)NC1=O,-1.41,0,1
CCC1(CC)C(=O)NC[C@H](C)C1=O,-0.382,0,1
CCC1(CC=C(C)C)C(=O)NC(=O)NC1=O,-2.253,0,0
CCC1(CC=C)C(=O)NC(=O)NC1=O,-1.614,0,0
CCC1(CCC(C)C)C(=O)NC(=O)NC1=O,-2.47,1,2
CCC1=C(C)CN(C(=O)NCCc2ccc(cc2)S(=O)(=O)NC(=O)N[C@H]2CC[C@H](C)CC2)C1=O,-6.44,0,1
CCC1C(=O)NC(=O)NC1=O,-1.427,0,1
CCCC(=O)C=C,-0.83,1,2
CCCC(=O)CC,-0.83,1,2
CCCC(=O)CCC,-1.3,1,2
CCCC(=O)Nc1ccc(OC[C@@H](O)CNC(C)C)c(c1)C(C)=O,-2.4375,0,1
CCCC(=O)OC,-0.82,0,0
CCCC(=O)OCC,-1.28,0,0
CCCC(C)(C)CO,-1.52,0,1
CCCC(C)(C)O,-0.49,1,2
CCCC(C)(COC(N)=O)COC(N)=O,-1.807,1,2
CCCC(O)CCC,-1.4,1,2
CCCC1(CC)C(=O)NC(=O)NC1=O,-1.491,1,2
CCCC1(CCC)C(=O)NC(=O)NC1=O,-2.527,1,2
CCCCC(=O)CCCC,-2.583333333,1,2
CCCCC(=O)OC,-1.36,0,1
CCCCC(=O)OCC,-1.75,1,2
CCCCC(C)(C)O,-1.08,0,0
CCCCC(C)=O,-0.8,1,2
CCCCC1(CC)C(=O)NC(=O)NC1=O,-1.686,0,0
CCCCC1(CC=C)C(=O)NC(=O)NC1=O,-2.172,0,0
CCCCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1,-4.391,1,2
CCCCCC(=O)OC,-1.913333333,0,0
CCCCCC(=O)OCC,-2.336666667,0,0
CCCCCC(C)(C)O,-1.72,0,1
CCCCCC(C)=O,-1.44,1,2
CCCCCC1(CC)C(=O)NC(=O)NC1=O,-2.34,0,0
CCCCCC=O,-1.3,1,2
CCCCCCC(=O)OCC,-2.73,0,1
CCCCCCC(C)=O,-2.05,0,0
CCCCCCC1(CC)C(=O)NC(=O)NC1=O,-3.049,0,0
CCCCCCC=O,-1.7,0,0
CCCCCCCC(C)=O,-2.58,0,1
CCCCCCCC1(CC)C(=O)NC(=O)NC1=O,-3.218,1,2
CCCCCCCC=O,-2.36,0,1
CCCCCCCCC1(CC)C(=O)NC(=O)NC1=O,-3.943,0,1
CCCCCCCCCC1(CC)C(=O)NC(=O)NC1=O,-4.462,1,2
CCCCCCCCC[C@@H](C)O,-2.94,0,1
CCCCCCCCO,-2.385,1,2
CCCCCCCN(CC)CCC[C@@H](O)c1ccc(NS(C)(=O)=O)cc1,-1.81,0,1
CCCCCCCO,-1.8175,0,0
CCCCCCCOC(N)=O,-2.62,0,0
CCCCCCC[C@@H](C)O,-2.74,0,0
CCCCCCO,-1.2375,0,0
CCCCCCOC(C)=O,-2.46,0,1
CCCCCCOC(N)=O,-1.92,0,0
CCCCCC[C@@H](C)O,-1.99,1,2
CCCCCO,-0.60225,0,1
CCCCCOC(=O)CC,-2.25,0,1
CCCCCOC(C)=O,-1.8875,0,0
CCCCCOC(N)=O,-1.47,0,1
CCCCC[C@@H](C)O,-1.55,0,1
CCCCC[C@@H](O)CC,-1.98,0,1
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O,-3.67,0,1
CCCCC[C@H](O)\C=C\[C@H]1[C@H](O)CC(=O)[C@@H]1C\C=C/CCCC(O)=O,-2.47,0,0
CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N1CCOCC1,0.098,0,1
CCCCN1CCCC[C@@H]1C(=O)Nc1c(C)cccc1C,-3.511,0,1
CCCCNC(=O)NS(=O)(=O)c1ccc(C)cc1,-3.4665,0,0
CCCCNC(=O)OC[C@@](C)(CCC)COC(N)=O,-2.739,0,1
CCCCNc1cc(cc(c1Oc1ccccc1)S(N)(=O)=O)C(O)=O,-3.562,0,1
CCCCNc1ccc(cc1)C(=O)OCCN(C)C,-3.011,0,1
CCCCOC,-0.99,0,1
CCCCOC(=O)c1ccc(N)cc1,-3.131,1,2
CCCCOC(=O)c1ccc(O)cc1,-3.101,1,2
CCCCOC(C)=O,-1.29,0,0
CCCCOC(N)=O,-0.66,0,0
CCCCOCCCC,-1.885,0,1
CCCCOCCO,-0.42,0,1
CCCCOc1cc(C(=O)NCCN(CC)CC)c2ccccc2n1,-4.39,0,1
CCCCOc1ccc(OCCCN2CCOCC2)cc1,-3.5,0,1
CCCC[C@@H](C)O,-0.89,0,0
CCCC[C@@H](CC)C=O,-2.13,0,1
CCCC[C@@H](CC)CO,-2.11,0,1
CCCC[C@@H](O)CC,-1.47,0,0
CCCC[C@H](C)[C@H](C)O,-1.72,0,1
CCCC[C@](C)(O)CC,-1.6,0,1
CCCCc1oc2ccccc2c1C(=O)c1cc(I)c(OCCN(CC)CC)c(I)c1,-8.174,0,1
CCCCn1c(=O)n(C)c2ncn(C)c2c1=O,-1.625,1,2
CCCCn1c(C)nc2n(C)c(=O)n(C)c(=O)c12,-1.745,0,1
CCCCn1cnc2n(C)c(=O)n(C)c(=O)c12,-1.805,0,0
CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O,-4.888,0,1
CCCNC(=O)NS(=O)(=O)c1ccc(Cl)cc1,-3.2745,0,1
CCCNC[C@@H](O)COc1ccccc1C(=O)CCc1ccccc1,-5.2,0,1
CCCOC(=O)CC,-1.34,0,0
CCCOC(=O)CCC,-1.92,0,1
CCCOC(=O)c1ccc(O)cc1,-2.557,0,0
CCCOC(=O)c1ccccc1,-2.67,0,1
CCCOC(C)=O,-0.72,0,1
CCCOC(C)C,-1.34,0,1
CCCOC=O,-0.49,0,1
CCCOCC,-0.66,0,1
CCCOCCC,-1.446666667,1,2
CCCOc1ccc2[C@@H]([C@H]([C@@H](c2c1)c1ccc(OC)cc1OCC(O)=O)C(O)=O)c1ccc2OCOc2c1,-6.771,0,1
CCCSCCC,-2.58,0,1
CCC[C@@H](C)O,-0.29,0,1
CCC[C@@H](O)CC,-0.8,0,0
CCC[C@@H](O)[C@H](CC)CO,-0.54,0,1
CCC[C@@]1(CCc2ccccc2)CC(=O)[C@@H]([C@H](CC)c2cccc(NS(=O)(=O)c3ccc(cn3)C(F)(F)F)c2)C(=O)O1,-6.3,1,2
CCC[C@H](C)C1(CC)C(=O)NC(=O)NC1=O,-2.41,1,2
CCC[C@H](C)C1(CC=C)C(=O)NC(=O)NC1=O,-2.333,0,1
CCC[C@H](C)CO,-1.11,0,0
CCC[C@H](O)C=C,-0.59,1,2
CCC[C@](C)(O)CC,-0.986666667,0,0
CCC[N+]([O-])=O,-0.8,0,1
CCC[S@](=O)CCCN(CC)C[C@@H](O)COc1ccc(cc1)C#N,-1.17,0,1
CCC\C(=C(/C)O)C(C)=O,-0.88,0,1
CCC\C=C(\CC)C=O,-2.46,0,1
CCCc1cc(=O)[nH]c(=S)[nH]1,-2.185,0,1
CCCn1c(=O)n(C)c2ncn(C)c2c1=O,-1.207,0,0
CCN(CC)C(=O)C(\Cl)=C(/C)OP(=O)(OC)OC,0.523,0,1
CCN(CC)C(=O)CSc1ccc(Cl)nn1,-1.716,0,1
CCN(CC)C(=O)Nc1ccc(OC[C@@H](O)CNC(C)(C)C)c(c1)C(C)=O,-1.9,0,1
CCN(CC)C(=S)SSC(=S)N(CC)CC,-2.995,0,1
CCN(CC)CC(=O)Nc1c(C)cccc1C,-1.874,1,2
CCN(CC)CCC[C@@H](C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12,-4.35,0,1
CCN(CC)CCC[C@@H](C)Nc1ccnc2cc(Cl)ccc12,-3.89,0,1
CCN(CC)CCNC(=O)c1cc(Cl)c(N)cc1OC,-3.565,0,1
CCN(CC)CCOC(=O)c1ccc(N)cc1,-1.719,1,2
CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O,-5.79,0,1
CCN(Cc1ccncc1)C(=O)[C@@H](CO)c1ccccc1,-1.698,0,1
CCN(N=O)C(N)=O,-0.96,0,1
CCN1CCC[C@@H]1CNC(=O)c1cc(ccc1OC)S(N)(=O)=O,-2.876,0,1
CCN1CCN(CC1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1,-3.18,0,0
CCN1c2ncccc2N(C)C(=O)c2cccnc12,-2.62,0,0
CCN1c2ncccc2N(CC)C(=O)c2cccnc12,-2.86,0,1
CCNC(=O)[C@H](C)OC(=O)Nc1ccccc1,-1.83,0,1
CCNC(=S)NCC,-1.46,0,1
CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O,-2.95,0,1
CCNc1nc(Cl)nc(NC(C)C)n1,-3.489,0,1
CCOC(=O)C1=C(C)NC(C)=C([C@H]1c1cccc(Cl)c1Cl)C(=O)OC,-5.89,0,1
CCOC(=O)C=C,-0.74,0,1
CCOC(=O)CC,-0.66,0,1
CCOC(=O)CC(=O)OCC,-0.82,0,1
CCOC(=O)CCC(=O)OCC,-0.96,0,1
CCOC(=O)N(C)C(=O)CSP(=S)(OCC)OCC,-2.518,0,1
CCOC(=O)NCCOc1ccc(Oc2ccccc2)cc1,-4.719,0,1
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1CCC[C@H]1C(O)=O,-1.305,0,0
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(O)=O,-1.9,0,1
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(O)=O,-2.84,1,2
CCOC(=O)c1ccc(N)cc1,-2.41,0,1
CCOC(=O)c1ccc(O)cc1,-2.346,0,0
CCOC(=O)c1ccccc1,-2.32,1,2
CCOC(=O)c1ccccc1C(=O)OCC,-2.35,0,1
CCOC(=O)c1cncn1[C@H](C)c1ccccc1,-6.735,0,1
CCOC(C)=O,-0.035675,0,0
CCOC(C)C,-0.55,1,2
CCOC(C)OCC,-0.43,0,1
CCOC(N)=O,0.85,0,1
CCOCCOCC,-0.77,0,1
CCOP(=O)(OCC)OCC,0.43,0,1
CCOP(=S)(OCC)Oc1ccc(cc1)[S@](C)=O,-2.3,1,2
CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl,-5.244,0,1
CCOc1ccc(NC(C)=O)cc1,-2.4255,0,0
CCOc1ccc(NC(N)=O)cc1,-2.17,0,1
CCOc1ccccc1,-2.33,1,2
CCS(=O)(=O)CC,0.04,1,2
CCSCc1ccccc1OC(=O)NC,-2.09,0,1
CCSSCC,-2.42,0,1
CC[C@@H](C)C(C)(C)O,-0.89,0,1
CC[C@@H](C)C(C)=O,-0.67,1,2
CC[C@@H](C)OC(N)=O,-0.3,0,1
CC[C@@H](CO)NCCN[C@@H](CC)CO,-0.565,0,1
CC[C@@H](Cc1c(I)cc(I)c(N)c1I)C(O)=O,-4.58,0,1
CC[C@@H](O)C(C)(C)C,-1.15,1,2
CC[C@@H](O)C(C)C,-0.7,1,2
CC[C@@](C)(O)C(C)(C)C,-1.27,0,1
CC[C@@](C)(O)C(C)C,-0.85,0,1
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]12,-6,1,2
CC[C@H](C)C1(CC)C(=O)NC(=O)NC1=O,-2.333,0,1
CC[C@H](C)C1(CC=C)C(=O)NC(=O)NC1=O,-2.016,1,2
CC[C@H](C)CO,-0.47,0,1
CC[C@H](C)[C@H](C)O,-0.716666667,0,1
CC[C@H](N)C(O)=O,0.3075,1,2
CC[C@H]1NC(=O)NC1=O,-0.06,0,1
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=O)[C@H](C)[C@@H](O)[C@]1(C)O,-3.15,0,1
CC[C@]1(CCC(=O)NC1=O)c1ccccc1,-2.337,0,1
CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1,-8.02,0,1
CC\C(=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1,-4.7145,0,1
CC\C=C(/C)C1(CC)C(=O)NC(=O)NC1=O,-2.458,0,1
CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1,-6.185,0,0
CCc1cccc(C)c1N([C@@H](C)COC)C(=O)CCl,-2.73,0,1
CCc1ccccc1O,-1.36,0,1
CCc1cccs1,-2.59,0,1
CCc1nc(N)nc(N)c1-c1ccc(Cl)cc1,-4.109,0,1
CCn1c(=O)n(C)c2ncn(C)c2c1=O,-0.719,0,0
CCn1cc(C(O)=O)c(=O)c2cc(F)c(N3CCN[C@@H](C)C3)c(F)c12,-2.43291365,0,1
CCn1cc(C(O)=O)c(=O)c2cc(F)c(cc12)N1CCNCC1,-2.9065,0,0
CCn1cc(C(O)=O)c(=O)c2ccc(C)nc12,-3.4885,0,1
CCn1cnc2n(C)c(=O)n(C)c(=O)c12,-0.757,0,0
CN(C(C)=O)c1ccccc1,-0.95,0,1
CN(C)C(=O)C(CCN1CCC(O)(CC1)c1ccc(Cl)cc1)(c1ccccc1)c1ccccc1,-7.074,0,1
CN(C)C(=O)C(c1ccccc1)c1ccccc1,-2.98,0,1
CN(C)C(=O)N(C)C,0.94,0,1
CN(C)C(=O)NC1CCCCCCC1,-2.289,1,2
CN(C)C(=O)Nc1ccc(Cl)c(Cl)c1,-3.76,0,0
CN(C)C(=O)Nc1ccc(Cl)cc1,-2.9,1,2
CN(C)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1,-2.93,0,1
CN(C)C(=O)Nc1cccc(c1)C(F)(F)F,-3.463,0,1
CN(C)C(=O)Nc1ccccc1,-1.6175,0,1
CN(C)C(=O)OC1=CC(=O)CC(C)(C)C1,-0.85,0,1
CN(C)C(=O)Oc1cc(C)nn1-c1ccccc1,-2.09,0,1
CN(C)CCC=C1c2ccccc2CCc2ccccc12,-4.55,0,0
CN(C)CCCN1c2ccccc2CCc2ccccc12,-4.3125,1,2
CN(C)CCCN1c2ccccc2Sc2ccc(Cl)cc12,-5.1455,0,0
CN(C)CCCOc1nn(Cc2ccccc2)c2ccccc12,-3.78,0,1
CN(C)CCOC(c1ccccc1)c1ccccc1,-2.947,0,0
CN(C)CCO[C@@H](c1ccccc1)c1ccccc1C,-4.1,0,1
CN(C)CC[C@@H](c1ccc(Cl)cc1)c1ccccn1,-2.659,0,1
CN(C)CC\C=C1\c2ccccc2Sc2ccc(Cl)cc12,-6.308,0,1
CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4c(ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)[C@H](C(N)=O)C1=O)N(C)C,-0.944,0,1
CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)[C@H](C(N)=O)C1=O)C(=O)c1c(O)ccc(Cl)c1[C@@]3(C)O,-2.94,0,1
CN(C)[C@H]1[C@@H]2C[C@H]3C(=C(O)[C@]2(O)C(=O)[C@H](C(N)=O)C1=O)C(=O)c1c(O)cccc1[C@@]3(C)O,-2.924,0,0
CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)[C@H](C(N)=O)C1=O)C(=O)c1c(O)cccc1[C@@]3(C)O,-3.093,0,1
CN(C)c1c(C)n(C)n(-c2ccccc2)c1=O,-0.619,0,0
CN(C)c1cnc2cncnc2n1,-0.021,0,1
CN(C)c1ncc2nccnc2n1,0.36,1,2
CN(C)c1ncnc2nccnc12,-1.021,0,1
CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1ccccn1,-5.25,0,1
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O,-4.1,0,1
CN(N=O)C(N)=O,-0.85,0,1
CN1C(=O)NC(=O)[C@@](C)(C1=O)C1=CCCCC1,-2.674,0,1
CN1C(C(=O)Nc2cc(C)on2)=C(O)c2ccccc2S1(=O)=O,-5.61,0,1
CN1C(C(=O)Nc2ccccn2)=C(O)c2ccccc2S1(=O)=O,-4.8,0,0
CN1C(C(=O)Nc2ccccn2)=C(O)c2sccc2S1(=O)=O,-3.875,0,1
CN1CCC(CC1)=C1c2ccccc2C=Cc2ccccc12,-5.9,1,2
CN1CCCC1=O,1,1,2
CN1CCN(CC1)C1=Nc2ccccc2Nc2sc(C)cc12,-4.35,0,1
CN1CCN(CC1)c1cc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1,-3.6,0,0
CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1,-4.398,0,0
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O,-3.154,0,1
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4OC(C)=O)ccc5OC(C)=O,-2.798,0,1
CN1C[C@@H](O)N(C1=O)c1nnc(s1)C(C)(C)C,-1.877,1,2
CN1C[C@@H]2C[C@H]1CN2c1cc2n(cc(C(O)=O)c(=O)c2cc1F)C1CC1,-2.9,0,1
CN1[C@@H](CCl)Nc2cc(Cl)c(cc2S1(=O)=O)S(N)(=O)=O,-3.778,0,1
CN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)[C@@H](CO)c1ccccc1,-2.004,0,1
CN1[C@H]2CC[C@@H]1C[C@H](C2)OC(=O)[C@H](CO)c1ccccc1,-1.91,0,0
CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1,-3.802,0,0
CNC(=O)O\N=C(/SC)C(=O)N(C)C,0.106,0,1
CNC(=O)O\N=C(\CSC)C(C)(C)C,-1.62,0,1
CNC(=O)O\N=C1\[C@H](Cl)[C@H]2C[C@@H](C#N)[C@@H]1C2,-2.08,0,1
CNC(=O)Oc1cc(C)cc(C)c1,-2.581,1,2
CNC(=O)Oc1cccc(C)c1,-1.802,1,2
CNC(=O)Oc1cccc2CC(C)(C)Oc12,-2.5,0,1
CNC(=O)Oc1ccccc1C(C)C,-2.863,0,0
CNC(=O)Oc1ccccc1C1OCCO1,-1.57,0,1
CNC(=O)Oc1ccccc1OC(C)C,-2.02,0,1
CNC(=O)[C@@H](C)SCCSP(=O)(OC)OC,1.144,0,1
CNC(=O)\C=C(/C)OP(=O)(OC)OC,0.651,0,1
CNCCC=C1c2ccccc2CCc2ccccc12,-4.018,0,1
CNCCCN1c2ccccc2CCc2ccccc12,-3.76,0,0
CNCCC[C@@]12CC[C@@H](c3ccccc13)c1ccccc21,-4.796,0,1
CNCC[C@H](Oc1ccc(cc1)C(F)(F)F)c1ccccc1,-3.92,0,1
CNC[C@H](O)c1ccc(O)c(O)c1,-2.74,0,1
CN[C@H]1CC[C@@H](c2ccc(Cl)c(Cl)c2)c2ccccc12,-4.83,0,1
CN\C(NCCSCc1ccc(CN(C)C)o1)=C/[N+]([O-])=O,-2.5,0,1
CNc1ccccc1,-1.28,0,0
COC(=O)C(C)=C,-0.8,0,1
COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2C,-2.26,1,2
COC(=O)[C@@H]1[C@H]2C[C@H](C=C2)[C@H]1C(=O)OC,-1.2,0,1
COC(=O)c1ccc(N)cc1,-1.59,0,0
COC(=O)c1ccc(O)cc1,-1.705,0,1
COC(=O)c1ccc(OC)cc1,-2.41,1,2
COC(=O)c1ccccc1,-1.85,0,0
COC(=O)c1ccccc1C(=O)OC,-1.66,0,1
COC(=O)c1ccccc1O[C@@H]1O[C@H](CO[C@@H]2OC[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O,-0.742,0,1
COC(=O)c1cccnc1,-0.46,0,1
COC(C)(C)C,-0.23875,0,1
COC1=CC(=O)C[C@@H](C)[C@]11Oc2c(C1=O)c(OC)cc(OC)c2Cl,-4.83,0,1
COC1=CC=C2[C@H]3Cc4ccc(OC)c5O[C@@H]1[C@]2(CCN3C)c45,-2.658,0,1
COCC(=O)N([C@H](C)C(=O)OC)c1c(C)cccc1C,-1.6005,0,1
COCCOc1c(OC)cc(Cc2cnc(N)nc2N)cc1OC,-2.101,0,1
COCCc1ccc(OC[C@@H](O)CNC(C)C)cc1,-1.315,0,0
CON(C)C(=O)Nc1ccc(Cl)c(Cl)c1,-3.521,0,1
CON(C)C(=O)Nc1ccc(Cl)cc1,-2.57,0,1
COP(=O)(OC)O[C@@H](Br)C(Cl)(Cl)Br,-2.28,0,1
COP(=O)(OC)[C@H](O)C(Cl)(Cl)Cl,-0.22,1,2
COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl,-3.905,1,2
COP(=S)(OC)SCC(=O)N(C)C=O,-1.995,0,1
CO[C@]12CC[C@@]3(C[C@@H]1[C@](C)(O)C(C)(C)C)[C@H]1Cc4ccc(O)c5O[C@@H]2[C@]3(CCN1CC1CC1)c45,-4.37,0,1
CO[C@]12[C@H]3N[C@H]3CN1C1=C([C@H]2COC(N)=O)C(=O)C(N)=C(C)C1=O,-2.564,0,1
CO[P@@](=O)(NC(C)=O)SC,0.54,0,1
COc1c2ccoc2c(OC)c2oc(C)cc(=O)c12,-3.017,0,1
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC,-2.87,0,0
COc1cc(N[C@@H](C)CCCN)c2ncccc2c1,-2.52,1,2
COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC,-0.944,0,1
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)[C@H]1CCCO1,-1.8,0,1
COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1,-5.086,0,0
COc1ccc(C=O)cc1,-1.49,0,1
COc1ccc(CC=C)cc1,-2.92,0,1
COc1ccc(CCN(C)CCC[C@@](C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC,-4.6,1,2
COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC,-4.103,0,1
COc1ccc(Cl)cc1,-2.78,0,1
COc1ccc(Cl)cc1C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1,-6.755,1,2
COc1ccc(NC(=O)N(C)C)cc1Cl,-2.564,0,1
COc1ccc(NC(C)=O)cc1,-1.3,0,0
COc1ccc(cc1)[C@@H]1Sc2ccccc2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O,-3.0545,1,2
COc1ccc(cc1)[C@@](O)(C1CC1)c1cncnc1,-2.598,0,1
COc1ccc(cc1)[N+]([O-])=O,-2.41,0,0
COc1ccc2COC(=O)c2c1OC,-1.8945,1,2
COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O,-4.215,1,2
COc1ccc2nc([nH]c2c1)[S@](=O)Cc1ncc(C)c(OC)c1C,-3.42,0,1
COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)c2c1,-2.788,0,1
COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CC[N@]3C[C@@H]4C=C)c2c1,-2.812,1,2
COc1cccc(Cl)c1,-2.78,1,2
COc1cccc(c1)[C@@]1(O)CCCC[C@@H]1CN(C)C,-2.24,0,1
COc1ccccc1,-1.85,0,1
COc1ccccc1Cl,-2.46,0,1
COc1ccccc1OC[C@@H](O)CO,-0.598,0,1
COc1ccccc1OC[C@@H](O)COC(N)=O,-0.985,0,0
COc1ccccc1[N+]([O-])=O,-1.96,0,1
COc1cnc2cncnc2n1,-0.91,1,2
COc1cnc2ncncc2n1,-1.139,0,0
COc1ncc2nccnc2n1,-1.112,0,1
COc1ncnc2nccnc12,-1.112,0,1
CS(=O)(=O)OCCCCOS(C)(=O)=O,-2.267,0,1
CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl,-2.154,0,0
CSCC[C@H](N)C(O)=O,-0.42,1,2
CSc1ccc2Sc3ccccc3N(CC[C@H]3CCCCN3C)c2c1,-5.362,0,1
CSc1ccccc1,-2.39,0,1
CSc1cnc2cncnc2n1,-1.551,0,1
CSc1ncc2nccnc2n1,-1.754,0,0
CSc1ncnc2nccnc12,-2.365,0,1
CSc1nnc(c(=O)n1N)C(C)(C)C,-2.253,0,1
C[C@@H](C(O)=O)c1ccc(c(F)c1)-c1ccccc1,-4.256,0,1
C[C@@H](C(O)=O)c1ccc(cc1)N1Cc2ccccc2C1=O,-4.772,0,1
C[C@@H](C(O)=O)c1ccc2c(c1)[nH]c1ccc(Cl)cc21,-4.699,0,1
C[C@@H](C(O)=O)c1cccc(Oc2ccccc2)c1,-3.699,1,2
C[C@@H](C(O)=O)c1cccc(c1)C(=O)c1ccccc1,-3.38,0,1
C[C@@H](CCc1ccccc1)NC[C@H](O)c1ccc(O)c(c1)C(N)=O,-3.41,0,1
C[C@@H](CN1c2ccccc2Sc2ccccc12)N(C)C,-4.34,0,1
C[C@@H](Cc1ccccc1)N(C)CC#C,-2.513,0,1
C[C@@H](N(O)C(N)=O)c1cc2ccccc2s1,-3.373,0,1
C[C@@H](N)C(O)=O,0.243,1,2
C[C@@H](N)CC(O)=O,1.08,0,1
C[C@@H](O)C(C)(C)C,-0.62,1,2
C[C@@H](O)C(F)(F)F,0.3,1,2
C[C@@H](O)[C@@H](N)C(O)=O,-0.09,1,2
C[C@@H](O)c1ccccc1,-0.92,1,2
C[C@@H](Oc1ccc(Cl)cc1Cl)C(O)=O,-2.827,0,1
C[C@@H]1CCCC(=O)C1,-1.87,0,1
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(CC1)c1cc(nc(n1)N1CCCC1)N1CCCC1,-7.59,0,1
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,-3.59,1,2
C[C@@H]1Nc2cc(Cl)c(cc2C(=O)N1c1ccccc1C)S(N)(=O)=O,-4.33,0,1
C[C@@]12CC[C@@H](CC1)C(C)(C)O2,-1.69,0,1
C[C@@]12CC[C@@H]3C(=CCc4cc(O)ccc34)[C@H]1CC[C@@H]2O,-4.402,0,0
C[C@H](CN(C)C)CN1c2ccccc2CCc2ccccc12,-4.796,0,1
C[C@H](N)C(O)=O,0.25,1,2
C[C@H](NCCC(c1ccccc1)c1ccccc1)c1ccccc1,-4,0,1
C[C@H](O)Cn1cnc2n(C)c(=O)n(C)c(=O)c12,0.623,1,2
C[C@H](OC(=O)Nc1cccc(Cl)c1)C#C,-2.617,0,1
C[C@H]1CCCCC1=O,-0.94,0,1
C[C@H]1CC[C@@H](CC1=O)C(C)=C,-2.18,0,1
C[C@H]1CC[C@H](O)CC1,-0.88,0,1
C[C@H]1CCc2cc(F)cc3c2n1cc(C(O)=O)c3=O,-3.733,0,1
C[C@H]1CN(C[C@@H](C)N1)c1c(F)c(N)c2c(c1F)n(cc(C(O)=O)c2=O)C1CC1,-3.371,0,1
C[C@H]1COc2c(N3CCN(C)CC3)c(F)cc3c2n1cc(C(O)=O)c3=O,-1.266,1,2
C[C@H]1C[C@H](C)C(=O)[C@@H](C1)[C@H](O)CC1CC(=O)NC(=O)C1,-1.13,0,1
C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,-3.77,0,0
C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(=O)CO)[C@@]3(C)C[C@H](O)[C@@H]2[C@@]2(C)C=CC(=O)C=C12,-2.99,0,1
C[C@H]1Cc2ccccc2N1NC(=O)c1ccc(Cl)c(c1)S(N)(=O)=O,-3.792,0,1
C[C@H]1[C@H](NC(=O)C(=N\OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O,-1.639,1,2
C[C@H]1[C@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C(C)C,-3.803,0,1
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)O[C@]11CC[C@@H](C)CO1,-2.618,0,1
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C,-3.99,0,1
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,-3.239,0,1
C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,-3.27,1,2
C[C@]12CC[C@H]3C(=CCc4cc(O)ccc34)[C@@H]1CCC2=O,-5.282,0,1
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O,-4.064,0,1
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1CC[C@@]2(O)C#C,-4.63,0,1
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO,-3.45,0,0
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O,-4.159,1,2
C[C@]12CC[C@H]3[C@@H](CCC4=Cc5oncc5C[C@]34C)[C@@H]1CC[C@@]2(O)C#C,-5.507,1,2
C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O,-4.743,0,1
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CCC2=O,-3.955,0,0
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O,-4.845,0,0
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]2(O)C#C,-4.217,0,1
C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@@H](O)[C@@H]2O,-4.955,1,2
C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CCC2=O,-5.249,1,2
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1C[C@@H](O)[C@]2(O)C(=O)CO,-3.693,0,1
C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,-3.434,0,1
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,-3.18,0,0
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2C(=O)CO,-3.24,0,1
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO,-3.1,0,0
C\C(O)=C\C(C)=O,0.22,0,1
C\N=C(/NCCSCc1[nH]cnc1C)NC#N,-1.655,0,1
C\N=C1\CN(O)C(c2ccccc2)=c2cc(Cl)ccc2=N1,-2.176,0,1
Cc1c(N)c(=O)n(-c2ccccc2)n1C,-0.622,0,1
Cc1c[nH]c(=O)[nH]c1=O,-1.499,0,1
Cc1c[nH]c(=O)nc1N,-0.56,0,1
Cc1c[nH]c2ccccc12,-2.42,0,1
Cc1cc(=O)c2ccccc2[nH]1,-1.2,0,1
Cc1cc(=O)n(-c2ccccc2)n1C,0.48,0,0
Cc1cc(C)c(O)c(C)c1,-2.05,0,1
Cc1cc(C)cc(O)c1,-1.4,0,1
Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1,-2.73,0,0
Cc1cc(NS(=O)(=O)c2ccc(N)cc2)no1,-2.705,0,1
Cc1cc(no1)C(=O)NNCc1ccccc1,-2.461,0,1
Cc1ccc(C)c(O)c1,-1.54,0,0
Cc1ccc(CO)cc1,-1.2,0,1
Cc1ccc(Cl)c(Nc2ccccc2C(O)=O)c1Cl,-6.267,0,1
Cc1ccc(O)c(C)c1,-1.1975,0,1
Cc1ccc(O)cc1,-0.72,0,1
Cc1ccc(O)cc1C,-1.39,1,2
Cc1ccc(cc1)C(=O)c1ccc(CC(O)=O)n1C,-4.092,0,1
Cc1ccc(cc1)S(=O)(=O)NC(=O)NN1C[C@@H]2CCC[C@@H]2C1,-4.175,0,1
Cc1ccc(cc1)S(N)(=O)=O,-1.74,0,1
Cc1ccc(cc1)[N+]([O-])=O,-2.49,0,1
Cc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O,-2.82,0,1
Cc1cccc(C)c1O,-1.296666667,0,1
Cc1cccc(CN2CCN(CC2)[C@H](c2ccccc2)c2ccc(Cl)cc2)c1,-6.481,0,1
Cc1cccc(Nc2ccccc2C(O)=O)c1C,-6.544,0,1
Cc1cccc(O)c1,-0.69025,0,1
Cc1cccc(O)c1C,-1.43,0,1
Cc1cccc(c1)[N+]([O-])=O,-2.44,0,0
Cc1cccc2sc3nncn3c12,-2.07,0,1
Cc1ccccc1-n1c(C)nc2ccccc2c1=O,-2.921,0,1
Cc1ccccc1N,-1.756666667,0,1
Cc1ccccc1O,-0.62375,1,2
Cc1ccccc1S(N)(=O)=O,-2.02,0,1
Cc1ccccc1[N+]([O-])=O,-2.33,0,0
Cc1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1,-3.1205,0,1
Cc1ccsc1,-2.39,1,2
Cc1cn([C@H]2C[C@H]([N-][N+]#N)[C@@H](CO)O2)c(=O)[nH]c1=O,-1.0645,0,1
Cc1cnc(cn1)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NC1CCCCC1,-5.454,0,1
Cc1cnc2cncnc2n1,-0.854,0,0
Cc1nc2[C@@H](O)CCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12,-4.435,1,2
Cc1ncc(n1CCO)[N+]([O-])=O,-1.2165,1,2
Cc1ncc2nccnc2n1,-0.094,1,2
Cc1ncnc2nccnc12,-0.466,1,2
Cc1nnc(NS(=O)(=O)c2ccc(N)cc2)s1,-2.779,0,0
Cc1nnc(SCC2=C(N3[C@H](SC2)[C@H](NC(=O)Cn2cnnn2)C3=O)C(O)=O)s1,-2.616,0,1
Cc1nnc2CN=C(c3ccccc3)c3cc(Cl)ccc3-n12,-3.6,0,1
Cc1nnc2CN=C(c3ccccc3Cl)c3cc(Cl)ccc3-n12,-4.095,1,2
ClC(Cl)(Cl)C#N,-2.168,0,1
ClC(Cl)C(=O)N(CC=C)CC=C,-1.62,0,1
ClCCOCCCl,-1.12,0,1
ClCCS(=O)(=O)CCCl,-1.5,0,1
ClCCS(=O)CCCl,-1.16,0,1
Clc1ccc(CC[C@@](Cn2cncn2)(C#N)c2ccccc2)cc1,-6.226,0,1
Clc1ccc(CO[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,-5.4305,0,1
Clc1ccc2oc(=O)[nH]c2c1,-2.7105,0,1
Clc1cccc(-c2c[nH]cc2C#N)c1Cl,-5.074,1,2
Clc1cccc(Cl)c1NC1=NCCN1,-0.1,0,1
Clc1cccc(N2CCN(CCCCOc3ccc4CCC(=O)Nc4c3)CC2)c1Cl,-6.585,0,1
Clc1cccc(c1)N1CCN(CCCn2nc3ccccn3c2=O)CC1,-3.1875,0,1
Clc1cnc2cncnc2n1,-0.876,0,0
Clc1cnc2ncncc2n1,-1.124,0,1
Clc1ncc2nccnc2n1,-0.699,0,0
Cn1c(=O)on(-c2ccc(Cl)c(Cl)c2)c1=O,-2.82,0,1
Cn1c2nc[nH]c2c(=O)n(C)c1=O,-1.3625,0,1
Cn1c2ncn(C[C@@H](O)CO)c2c(=O)n(C)c1=O,0.118,0,1
Cn1ccc(=O)[nH]c1=O,-0.8035,0,1
Cn1ccccc1=O,0.96,0,1
Cn1cnc(c1Sc1ncnc2nc[nH]c12)[N+]([O-])=O,-3.3255,0,1
Cn1cnc2n(C)c(=O)[nH]c(=O)c12,-2.557,0,1
Cn1cnc2n(C)c(=O)n(C)c(=O)c12,-0.951,0,1
Cn1nnnc1SCC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](O)c1ccccc1)C2=O)C(O)=O,-0.143,0,1
FC1(F)Oc2cccc(c2O1)-c1c[nH]cc1C#N,-5.21,0,1
Fc1c[nH]c(=O)[nH]c1=O,-1.028,0,1
Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O,-4.28,0,1
N#Cc1ccccc1,-1,0,1
N#Cc1ccccc1C#N,-2.38,1,2
N(Nc1ccccc1)c1ccccc1,-2.92,0,1
NC(=N)NCC(O)=O,-1.51,0,1
NC(=N)Nc1nc(CSCC\C(N)=N\S(N)(=O)=O)cs1,-2.49,0,1
NC(=O)N1c2ccccc2C=Cc2ccccc12,-3.294,1,2
NC(=O)NCc1ccccc1,-0.95,0,1
NC(=O)OCc1ccccc1,-0.35,0,1
NC(=O)c1ccccc1,-0.953,0,1
NC(=O)c1ccccc1C(N)=O,-2.771,0,1
NC(=O)c1ccccc1O,-1.836,0,1
NC(=O)c1cccnc1,0.913,1,2
NC(=O)c1cnccn1,-0.914,0,1
NC(=S)Nc1ccccc1,-1.77,1,2
NC(N)=NC(=O)c1nc(Cl)c(N)nc1N,-3.13,0,1
NC(N)=N[N+]([O-])=O,-1.37,0,1
NCCc1c[nH]c2ccccc12,-3.301029996,0,1
NC[C@@H](CC(O)=O)c1ccc(Cl)cc1,-1.696,0,1
NNC(=O)c1ccncc1,0.009,0,1
NNc1nncc2ccccc12,-2.6,0,1
NS(=O)(=O)c1cc(C(O)=O)c(NCc2ccco2)cc1Cl,-4.75,0,1
NS(=O)(=O)c1cc(ccc1Cl)[C@]1(O)NC(=O)c2ccccc12,-3.451,0,1
NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1C(F)(F)F,-2.98,0,1
NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl,-2.689,1,2
NS(=O)(=O)c1cc2c(N[C@@H](Cc3ccccc3)NS2(=O)=O)cc1C(F)(F)F,-4.298,0,1
NS(=O)(=O)c1cc2c(N[C@@H](NS2(=O)=O)C(Cl)Cl)cc1Cl,-3.354253415,1,2
NS(=O)(=O)c1cc2c(N\C(NS2(=O)=O)=C/SCc2ccccc2)cc1Cl,-4.829,0,1
NS(=O)(=O)c1ccccc1,-1.56,1,2
N[C@@H](CC(N)=O)C(O)=O,-0.74,0,0
N[C@@H](CCC(N)=O)C(O)=O,-0.55,0,1
N[C@@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O,-4.259,1,2
N[C@@H](Cc1ccc(O)c(O)c1)C(O)=O,-1.818,0,1
N[C@@H](Cc1ccc(cc1)N(CCCl)CCCl)C(O)=O,-3.485,0,1
N[C@@H](Cc1ccccc1)C(O)=O,-0.804,0,1
N[C@@H]1CONC1=O,-0.009,0,1
N[C@H]1[C@@H]2CN(C[C@H]12)c1nc2n(cc(C(O)=O)c(=O)c2cc1F)-c1ccc(F)cc1F,-4.48,1,2
N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2,-1.854,0,1
Nc1[nH]c(=O)nc2nc[nH]c12,-3.401,0,1
Nc1cc(nc(=N)n1O)N1CCCCC1,-2.009,0,1
Nc1cc[nH]c(=O)n1,-1.159,0,1
Nc1ccc(Br)cc1C(O)=O,-3.074,0,1
Nc1ccc(C(O)=O)c(O)c1,-1.963,1,2
Nc1ccc(Cl)cc1,-1.66,0,1
Nc1ccc(O)c(c1)C(O)=O,-2.259,0,1
Nc1ccc(\N=N\c2ccccc2)c(N)n1,-4.362,0,1
Nc1ccc(cc1)C(O)=O,-1.368,0,1
Nc1ccc(cc1)S(=O)(=O)Nc1ncccn1,-3.529,0,0
Nc1ccc(cc1)S(=O)(=O)Nc1nccs1,-2.7465,0,1
Nc1ccc(cc1)S(=O)(=O)c1ccc(N)cc1,-3.094,0,1
Nc1ccc(cc1)S(N)(=O)=O,-1.361,0,0
Nc1ccc(cc1)[N+]([O-])=O,-2.37,1,2
Nc1cccc(Cl)c1,-1.37,0,1
Nc1cccc(c1)C(F)(F)F,-1.47,1,2
Nc1cccc(c1)[N+]([O-])=O,-2.19,0,0
Nc1cccc2ccccc12,-1.92,1,2
Nc1ccccc1,-0.4115,1,2
Nc1ccccc1Cl,-1.52,0,1
Nc1ccccc1O,-0.72,0,1
Nc1ccccc1[N+]([O-])=O,-1.96,0,1
Nc1cnc2cncnc2n1,-2.313,0,0
Nc1cnc2ncncc2n1,-2.343,0,0
Nc1cnn(-c2ccccc2)c(=O)c1Cl,-2.874,0,1
Nc1nc(=O)[nH]cc1F,-0.959,1,2
Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2[nH]1,-5.344,0,1
Nc1nc(=O)c2ncn(COCCO)c2[nH]1,-2.2244,0,1
Nc1nc2nc[nH]c2c(=O)[nH]1,-4.0045,1,2
Nc1ncc2nccnc2n1,-2.298,1,2
Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,-1.728,1,2
Nc1ncnc2nc[nH]c12,-2.432,0,1
Nc1ncnc2nccnc12,-2.313,0,1
O=C(C1CCCCC1)N1C[C@H]2N(CCc3ccccc23)C(=O)C1,-2.893,0,1
O=C1C=CC(=O)C=C1,-0.9345,0,1
O=C1CCC(=O)N1,0.3,0,1
O=C1CCCCC1,-0.6,0,1
O=C1CNC(=O)CN1,-0.83,1,2
O=C1CNC(=O)N1,-0.4,0,1
O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c1ccccc61,-3.33,1,2
O=C1N([C@@H]2CCC(=O)NC2=O)C(=O)c2ccccc12,-3.699,1,2
O=C1NC(=O)C(C(=O)N1)(c1ccccc1)c1ccccc1,-4.196,0,1
O=C1NC(=O)C(C2CCC2)C(=O)N1,-2.349,0,0
O=C1NC(=O)C(C2CCCC2)C(=O)N1,-3.06,1,2
O=C1NC(=O)C(C2CCCCC2)C(=O)N1,-3.168,0,0
O=C1NC(=O)C(C2CCCCCC2)C(=O)N1,-2.982,0,1
O=C1NC(=O)C(N1)(c1ccccc1)c1ccccc1,-4.125,1,2
O=C1NC(=O)C2(CC2)C(=O)N1,-1.886,0,1
O=C1NS(=O)(=O)c2ccccc12,-1.725,0,1
O=C1OC(=O)c2ccccc12,-1.39,0,1
O=CNc1ccccc1,-0.68,0,1
O=Cc1ccc2OCOc2c1,-1.63,0,1
O=Cc1ccccc1,-1.2075,0,1
O=Cc1ccco1,-0.093925,0,1
O=NN1CCCCC1,-0.17,0,1
O=c1[nH]c2[nH]c(=O)[nH]c(=O)c2[nH]1,-3.402,0,1
O=c1[nH]c2nc[nH]c2c(=O)[nH]1,-2.483,0,1
O=c1cc[nH]c(=O)[nH]1,-1.493,0,1
O=c1cc[nH]cc1,1.02,0,1
O=c1cc[nH]cn1,0.59,0,1
O=c1ccc2ccccc2[nH]1,-2.14,0,1
O=c1ccc2ccccc2o1,-1.89,0,1
O=c1cccc[nH]1,1.02,0,1
O=c1cnc2cncnc2[nH]1,-2.124,0,0
O=c1cnc2ncncc2[nH]1,-2.714,0,1
O=c1nc2nccnc2c[nH]1,-1.947,0,1
O=c1nc[nH]c2n[nH]cc12,-2.453,1,2
O=c1nc[nH]c2nc[nH]c12,-2.28,0,1
O=c1nc[nH]c2nccnc12,-1.471,0,0
OC(=O)CCC(=O)c1ccc(cc1)-c1ccccc1,-5.2455,0,1
OC(=O)Cc1ccc(OCC=C)c(Cl)c1,-3.125,1,2
OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl,-5.398,0,1
OC(=O)Cc1ccccc1Oc1ccc(Cl)cc1Cl,-3.854,1,2
OC(=O)[C@@H]1CCCN1,1.149,0,1
OC(=O)c1cc(Br)c(O)cc1O,-2.62,0,1
OC(=O)c1cc(ccc1O)-c1ccc(F)cc1F,-4.72275,0,1
OC(=O)c1cc(ccc1O)\N=N\c1ccc(cc1)S(=O)(=O)Nc1ccccn1,-6.137,0,1
OC(=O)c1ccc(O)cc1,-1.464,0,0
OC(=O)c1ccc2ccccc2c1,-3.8,0,1
OC(=O)c1cccc2ccccc12,-3.774,0,0
OC(=O)c1ccccc1,-1.58,0,0
OC(=O)c1ccccc1C(O)=O,-1.50975,0,1
OC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F,-5.33,0,0
OC(=O)c1ccccc1O,-1.931,0,0
OC(=O)c1cccnc1,-0.85,1,2
OC(=O)c1cccnc1Nc1cccc(c1)C(F)(F)F,-4.585,0,1
OC(=O)c1cn(-c2ccc(F)cc2)c2cc(N3CCNCC3)c(F)cc2c1=O,-3.131,0,1
OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O,-3.742,0,0
OC(CCl)CCl,-0.11,1,2
OC(Cn1cncn1)(Cn1cncn1)c1ccc(F)cc1F,-1.8,0,1
OC(c1ccccc1)c1ccccc1,-2.55,0,0
OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1,-4.3645,0,1
OC1CCCCC1,-0.44,0,0
OC1CCCCCC1,-0.88,1,2
OC1CCCCCCC1,-1.29,0,1
OCC(O)CO,1.12,1,2
OCCCc1ccccc1,-1.38,0,1
OCCN(CCO)c1ccccc1,-0.73,0,1
OCCN(CCO)c1nc(N2CCCCC2)c2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO,-5.332,0,1
OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1,-4.3875,0,1
OCCN1CCN(CC\C=C2/c3ccccc3Sc3ccc(cc23)C(F)(F)F)CC1,-4.0185,1,2
OCCOc1ccccc1,-0.703333333,0,1
OCCc1ccccc1,-0.74,0,0
OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)c1ccc(cc1)[N+]([O-])=O,-2.111,0,1
OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)CO,0.64,1,2
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C=O,0.74,0,1
OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,0.05845,1,2
OC[C@@H](O)[C@H]1O[C@@H]2O[C@@H](O[C@@H]2[C@H]1O)C(Cl)(Cl)Cl,-1.84,0,1
OC[C@@H]1CC[C@@H](O1)n1cnc2c1[nH]cnc2=O,-0.937,0,1
OC[C@H](O)COC(=O)c1ccccc1Nc1ccnc2cc(Cl)ccc12,-4.571,0,1
OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO,1.148,0,1
OC[C@H](O)[C@H](O)CO,0.7,0,1
OC[C@H](O)[C@H]1OC(=O)C(O)=C1O,0.277,1,2
OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](O[C@H](C#N)c3ccccc3)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O,-0.77,0,1
OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O,-0.85,0,1
OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O,0.74,0,1
OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1[nH]cnc2=O,-1.23,1,2
OC[C@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O,0.64,0,1
OCc1c(Cl)cccc1Cl,-2.1,1,2
OCc1ccccc1,-0.4,0,0
OCc1ccccc1O,-0.29,0,0
O[C@@H](C(=O)c1ccccc1)c1ccccc1,-2.85,0,1
O[C@@H]([C@@H](O)c1ccccc1)c1ccccc1,-1.93,0,1
O[C@@H]1CCOC1,1.05,0,1
O[C@@H]1CO[C@H](O)[C@@H](O)[C@@H]1O,0.39,0,1
O[C@@H]1C[C@@H](O)[C@H](O)C(O)[C@H]1O,-0.17,0,1
O[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O,-3.952,0,0
O[C@@H]1N=C(c2ccccc2Cl)c2cc(Cl)ccc2NC1=O,-3.604,0,1
O[C@@](CCN1CCCC1)(C1CCCCC1)c1ccccc1,-4.7,0,0
O[C@@](CCN1CCCCC1)(C1CCCCC1)c1ccccc1,-5.2,0,1
O[C@H](Cc1ccccc1)c1ccccc1,-2.52,0,1
O[C@H]1CO[C@H](O)[C@H](O)[C@H]1O,0.39,0,0
Oc1ccc(Cl)cc1,-0.7,0,1
Oc1ccc(I)cc1,-1.714,0,1
Oc1ccc(O)cc1,-0.1695,0,1
Oc1ccc(cc1)C1(OC(=O)c2ccccc12)c1ccc(O)cc1,-2.9,1,2
Oc1ccc2CCCCc2c1,-1.99,0,1
Oc1ccc2C[C@H]3N(CC=C)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O,-2.898,1,2
Oc1ccc2ccccc2c1,-2.159,0,0
Oc1cccc(Cl)c1,-0.7,0,1
Oc1cccc(O)c1,0.81,0,1
Oc1cccc2C(=O)c3cccc(O)c3C(=O)c12,-5.187,0,1
Oc1cccc2ccccc12,-1.9715,0,1
Oc1ccccc1,-0.00835,0,1
Oc1ccccc1C=O,-0.86,1,2
Oc1ccccc1O,0.62,1,2
S=C1NCCN1,-0.71,0,1
S=c1cnc2cncnc2[nH]1,-2.706,0,1
S=c1nc2nccnc2c[nH]1,-2.629,1,2
S=c1nc[nH]c2nccnc12,-2.646,0,1
[O-][N+](=O)C(Cl)(Cl)Cl,-2,1,2
[O-][N+](=O)OCC(CO[N+]([O-])=O)O[N+]([O-])=O,-2.22,0,1
[O-][N+](=O)O[C@@H]1CO[C@@H]2[C@H](CO[C@H]12)O[N+]([O-])=O,-2.63,0,1
[O-][N+](=O)c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O,-2.89,1,2
[O-][N+](=O)c1ccc(Cl)cc1,-2.92,1,2
[O-][N+](=O)c1ccc(\C=N\N2CC(=O)NC2=O)o1,-3.26,0,1
[O-][N+](=O)c1cccc(Cl)c1,-2.77,0,1
[O-][N+](=O)c1cccc(c1)[N+]([O-])=O,-2.316666667,0,1
[O-][N+](=O)c1ccccc1,-1.8,0,1
[O-][N+](=O)c1ccccc1Cl,-2.55,0,0
[O-][N+](=O)c1nccn1CC(=O)NCc1ccccc1,-2.81,1,2
c1[nH]nc2ccccc12,-2.16,0,1
c1cc2ccccc2[nH]1,-1.416666667,0,1
c1ccc(nc1)-c1ccccn1,-1.42,1,2
c1ccc2n[nH]nc2c1,-0.78,1,2
c1ccc2ncccc2c1,-1.3,0,1
c1cn(cn1)[C@H](c1ccccc1)c1ccc(cc1)-c1ccccc1,-6.27,0,1
c1cnc2c(c1)ccc1cccnc21,-1.618,1,2
c1cnc2ncncc2n1,0.0205,0,1
c1nc(cs1)-c1nc2ccccc2[nH]1,-3.484,1,2
c1nc2ccccc2o1,-1.16,0,1
c1nc2ccccc2s1,-1.5,0,1