SMILES,EC50-le-10um
CC[n+]1ccccc1\C=C\c2ccc(cc2)N(C)C,0
C[n+]1ccccc1\C=C\c2ccc(cc2)[N+](=O)[O-],0
CC(C)OC(=O)C1C(C2=C(CC(CC2=O)c3ccc(Cl)cc3)N=C1C)c4ccc(F)cc4,0
CCOc1ccc2nc3cc(N)ccc3c(N)c2c1,0
CCCOC(=O)C1C(C2=C(CC(CC2=O)c3ccc(OC)cc3)N=C1C)c4ccccc4Cl,0
CCCOC(=O)C1C(C2=C(CC(CC2=O)c3ccc(OC)cc3)N=C1C)c4ccc(cc4)[N+](=O)[O-],0
CCCCN1C(=N)N(CC(O)c2ccc(Br)cc2)c3ccccc13,0
CN(C)c1cc[n+](CC(=O)c2ccc(Br)cc2)cc1,0
OC(CN1C(=N)N(CC=C)c2ccccc12)c3ccc(Cl)c(Cl)c3,0
Cc1ccc(NC(=O)c2c(I)cnn2C)cc1[N+](=O)[O-],0
CCN(CC)CCN1C(=N)N(CC(O)c2ccc(Cl)c(Cl)c2)c3ccccc13,1
COC(=O)C1C=NC=C(C1c2ccc(Cl)c(Cl)c2)C(=O)OC,0
CCN(CC)CCN1C(Nc2ccccc2C1=O)c3ccc(Cl)cc3,0
CN(C)C1=C(N(C(=O)C)c2ccc(F)cc2)C(=O)c3ccccc3C1=O,1
CCCOC(=O)C1C(C2=C(CC(CC2=O)c3ccc(OC)cc3)N=C1C)c4ccccc4F,0
CCCOC(=O)C1C(C2=C(CC(CC2=O)c3ccc(OC)c(OC)c3)N=C1C)c4ccccc4F,0
CCCOC(=O)C1C(C2=C(CC(CC2=O)c3ccc(OC)c(OC)c3)N=C1C)c4cccc(C)c4,0
COc1ccc(cc1OC)C2CC(=O)C3=C(C2)N=C(C)C(C3c4ccccc4Cl)C(=O)OC(C)C,0
CCOC(=O)C1C(C2=C(CC(CC2=O)c3ccc(OC)c(OC)c3)N=C1C)c4cccc(C)c4,0
CCOC(=O)C1C(C2=C(CC(CC2=O)c3ccc(OC)c(OC)c3)N=C1C)c4cccc(Cl)c4,0
COC(=O)C1C(C2=C(CC(CC2=O)c3ccc(OC)c(OC)c3)N=C1C)c4ccccc4F,0
COCCOC(=O)C1C(C2=C(CC(CC2=O)c3ccc(OC)c(OC)c3)N=C1C)c4ccccc4F,0
CCCOC(=O)C1C(C2=C(CC(CC2=O)c3ccc(OC)c(OC)c3)N=C1C)c4ccc(F)cc4,0
CCCOC(=O)C1C(C2=C(CC(CC2=O)c3ccc(OC)c(OC)c3)N=C1C)c4cccc(Cl)c4,0
CCCOC(=O)C1C(C2=C(CC(CC2=O)c3ccc(OC)c(OC)c3)N=C1C)c4ccccc4OC,0
COC(=O)C1C(C2=C(CC(CC2=O)c3ccc(OC)c(OC)c3)N=C1C)c4ccc(F)cc4,0
CCOC(=O)C1C(C2=C(CC(CC2=O)c3ccc(OC)c(OC)c3)N=C1C)c4ccccc4C,0
COC(=O)C1C(C2=C(CC(CC2=O)c3ccc(OC)c(OC)c3)N=C1C)c4ccccc4C,0
CCOC(=O)C1C(C2=C(CC(CC2=O)c3ccc(OC)c(OC)c3)N=C1C)c4ccc(cc4)[N+](=O)[O-],0
COCCOC(=O)C1C(C2=C(CC(CC2=O)c3ccc(OC)c(OC)c3)N=C1C)c4ccc(F)cc4,0
CCCOC(=O)C1C(C2=C(CC(CC2=O)c3ccc(OC)c(OC)c3)N=C1C)c4ccccc4Cl,0
COc1ccc(cc1OC)C2CC(=O)C3=C(C2)N=C(C)C(C3c4ccccc4OC)C(=O)OC(C)C,0
CCOC(=O)C1C(C2=C(CC(CC2=O)c3ccc(OC)c(OC)c3)N=C1C)c4ccccc4Cl,0
CCCOC(=O)C1C(C2=C(CC(CC2=O)c3ccc(OC)c(OC)c3)N=C1C)c4ccccc4C,0
CCOc1ccc2nc(C)cc(Nc3ccc(Cl)cc3)c2c1,1
COc1ccc2S\C(=C/c3cccc[n+]3C)\N(C)c2c1,0
CCN1\C(=C\c2cccc[n+]2C)\Sc3ccc(OC)cc13,0
CCN1\C(=C\c2cccc[n+]2C)\C=Cc3cc(C)ccc13,0
CN1\C(=C\c2cccc[n+]2C)\Sc3ccccc13,0
CN1\C(=C\c2cccc[n+]2C)\Sc3ccc(C)cc13,0
Clc1ccc(Nc2nc(NCc3occc3)c4ccccc4n2)cc1,0
Fc1ccc(Nc2nc(NCc3occc3)c4ccccc4n2)cc1,1
CCOc1ccc(cc1)N(C(=O)C)C2=C(N3CCOCC3)C(=O)c4ccccc4C2=O,1
CCOc1ccc(cc1)N(C(=O)C)C2=C(N(C)C)C(=O)c3ccccc3C2=O,1
CCCN1C2=C(CCC2)C(=N)C3=C1CCCC3,0
Oc1ccc(Br)cc1CN2CCN(Cc3ccccc3F)CC2,0
Oc1ccc(Br)cc1CN2CCN(Cc3cccc(F)c3)CC2,0
CCCCOc1ccc(cc1)N(C(=O)C)C2=C(N3CCCCC3)C(=O)c4ccccc4C2=O,0
CCCCOc1ccc(cc1)N(C(=O)C)C2=C(N3CCOCC3)C(=O)c4ccccc4C2=O,1
CCCCCOc1ccc(cc1)N(C(=O)C)C2=C(N3CCCCC3)C(=O)c4ccccc4C2=O,1
CCCCCOc1ccc(cc1)N(C(=O)C)C2=C(N3CCOCC3)C(=O)c4ccccc4C2=O,0
CCOc1ccc(\C=C\C2=NC(=O)c3ccccc3O2)cc1,0
Cc1ccc(cc1)N2C(=NC(=NC2(C)C)N)N,0
CCc1ccc(cc1)S(=O)(=O)N=C2CC(=Nc3ccccc3)C(=O)c4ccccc24,1
Cc1ccccc1N=C2CC(=NS(=O)(=O)c3ccc(F)cc3)c4ccccc4C2=O,1
CC(C)(C)c1ccc(cc1)S(=O)(=O)N=C2CC(=Nc3ccc(O)cc3)C(=O)c4ccccc24,1
CC(C)c1ccc(cc1)S(=O)(=O)N=C2CC(=Nc3ccc(O)cc3)C(=O)c4ccccc24,1
CCc1ccc(cc1)S(=O)(=O)N=C2CC(=Nc3ccccc3OC)C(=O)c4ccccc24,0
COc1ccccc1N=C2CC(=NS(=O)(=O)c3ccc(cc3)C(C)C)c4ccccc4C2=O,0
CCCCCCCCCC[n+]1ccccc1,0
COc1ccccc1C2CC(=O)C3=C(C2)N=C(C)C(C3c4ccc(Cl)cc4)C(=O)OC(C)C,0
Cc1ccc2S\C(=C/c3sc4ccccc4[n+]3C)\N(CCO)c2c1,0
CN1\C(=C\c2sc3ccccc3[n+]2CCO)\Sc4ccc(C)cc14,0
Cc1ccc2N(CCO)\C(=C\c3sc4ccccc4[n+]3C)\Sc2c1,0
C[n+]1c(\C=C\2/C=CC=CN2CC=C)sc3ccccc13,0
CN1\C(=C\c2sc3ccccc3[n+]2C)\C=Cc4cc(C)ccc14,1
CCN1C=CC(=Cc2sc3ccccc3[n+]2CC=C)C=C1,0
CC[n+]1c(\C=C\2/C=CC=CN2CC=C)sc3ccccc13,0
CCCCCCCN1C=CC(=N)C=C1,0
CC(C)c1ccc(NC(=O)\C=C\c2ccccc2Cl)cc1,0
CCOc1cc2CCNC(c3cc(Cl)ccc3O)c2cc1OCC,0
C[N+](C)(C)c1nc(nc(n1)N2CCOCC2)N(c3ccccc3)c4ccccc4,0
CCOc1cc2CCNC(c3cc(C)c(O)c(C)c3)c2cc1OCC,0
CC(C)(C)C(=O)N1CCN(CC1)c2ccc(c(NC3CC3)c2)[N+](=O)[O-],0
Oc1ccc(cc1Cl)C2NCc3ccccc3n4cccc24,0
CCOC(=O)c1cnc2c(OC)cccc2c1Nc3ccc(OC)c(OC)c3,0
COc1ccc(cc1OC)C2CC(=O)C3=C(C2)NC(=O)CC3c4ccc(Br)cc4,0
COc1ccc(cc1OC)C2CC(=O)N=C3CC(CC(=O)C23)c4ccc(F)cc4,0
COc1ccc(cc1OC)C2CC(=O)C3=C(C2)NC(=O)CC3c4ccc(cc4)C(F)(F)F,0
CCOc1cc(ccc1O)C2CC(=O)N=C3CC(CC(=O)C23)c4cc(OC)ccc4OC,0
COc1cc(cc(Br)c1O)C2CC(=O)N=C3CC(CC(=O)C23)c4ccccc4Cl,0
CCOc1cc(cc(Cl)c1O)C2CC(=O)N=C3CC(CC(=O)C23)c4ccc(OC)cc4,0
COc1ccc(cc1)C2CC(=O)C3=C(C2)NC(=O)CC3c4ccc(OC)c(OC)c4,0
CCOc1cc(cc(Cl)c1O)C2CC(=O)N=C3CC(CC(=O)C23)c4ccccc4Cl,0
Cc1cc(Nc2ccc(Br)c(C)c2)n3nc(C)nc3n1,0
CCc1nc2nc(C)cc(Nc3ccc(I)cc3)n2n1,0
COc1ccc(Nc2cc(C)c3ccc(O)cc3n2)cc1,0
CCOc1ccc(Nc2cc(C)c3ccc(O)cc3n2)cc1,0
CCc1ccc(Nc2cc(C)c3ccc(O)cc3n2)cc1,0
CC(C)CN1C(C(C(=O)Nc2ccc(C)c(C)c2)c3ccccc3C1=O)c4cccs4,0
CCCN(C(=O)C(=O)Nc1ccc2N=C3CCCCCN3C(=O)c2c1)c4ccc(OCC)cc4,0
CN(C(=O)c1cc2CS(=O)(=O)c3ccccc3c2s1)c4cccc(c4)C(F)(F)F,0
CCN1N=C(N=C2C(=O)N(C)C(=O)N=C12)c3ccc(cc3)C(F)(F)F,1
CN1C(=O)N(C)c2cn(c(c3ccc(cc3)C(C)(C)C)c2C1=O)c4cc(Cl)ccc4O,0
CC(O)(C(CN1CCCCC1)c2ccccc2)c3ccc(Cl)cc3,0
CC(C)CN1C(C(C(=O)Nc2cccc(c2)C(F)(F)F)c3ccccc3C1=O)c4cccs4,0
CC(C)CN1C(C(C(=O)Nc2ccc(F)c(Cl)c2)c3ccccc3C1=O)c4cccs4,0
COc1ccc(NC(=O)C2C(N(CC(C)C)C(=O)c3ccccc23)c4cccs4)cc1Cl,0
CC(C)CN1C(C(C(=O)Nc2ccc(F)cc2F)c3ccccc3C1=O)c4cccs4,0
COc1ccc(NC(=O)C2C(N(CC(C)C)C(=O)c3ccccc23)c4cccs4)cc1OC,0
COc1cccc(NC(=O)C2C(N(CC(C)C)C(=O)c3ccccc23)c4cccs4)c1,0
COc1cc(OC)c(NC(=O)C2C(N(CC(C)C)C(=O)c3ccccc23)c4cccs4)cc1Cl,0
CCOc1ccc(NC(=O)C2C(N(CC(C)C)C(=O)c3ccccc23)c4cccs4)cc1,0
CC(C)CN1C(C(C(=O)Nc2ccc(C)cc2Cl)c3ccccc3C1=O)c4cccs4,0
CC(C)CN1C(C(C(=O)Nc2cccc(c2)C#N)c3ccccc3C1=O)c4cccs4,0
CCc1ccccc1NC(=O)C2C(N(CC(C)C)C(=O)c3ccccc23)c4cccs4,0
COc1ccc(NC(=O)C2C(N(CC(C)C)C(=O)c3ccccc23)c4cccs4)cc1,0
CC(C)CN1C(C(C(=O)Nc2cccc(c2)C(=O)C)c3ccccc3C1=O)c4cccs4,0
COC(=O)c1ccc(NC(=O)C2C(N(CC(C)C)C(=O)c3ccccc23)c4cccs4)cc1,0
COc1ccc(NC(=O)C2C(N(C3CCCC3)C(=O)c4ccccc24)c5cccs5)cc1,0
CCOC(=O)c1cccc(NC(=O)CC2N(CCC(C)C)C(=O)N(C2=O)c3ccc(F)cc3)c1,0
CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O,0
OC(CNC1CCCCC1)Cn2c3ccc(Cl)cc3c4cc(Cl)ccc24,0
CC(C)NCC(O)Cn1c2ccc(Cl)cc2c3cc(Cl)ccc13,1
Cc1ccc(cc1)C2CC(n3nc(cc3N2)C(=O)N4CCN(CC4)C(c5ccccc5)c6ccccc6)C(F)(F)F,0
Nc1ccc(cc1)c2nc3cc(ccc3[nH]2)c4ccc5[nH]c(nc5c4)c6ccc(N)cc6,1
OC(CN1C(=N)N(CCN2CCCCC2)c3ccccc13)c4ccc(Cl)c(Cl)c4,1
CCN1CCN(Cc2c(O)ccc3C(=O)C(=C(Oc23)C(F)(F)F)Oc4ccccc4C(C)C)CC1,0
CC[n+]1c(\C=C\c2ccc(cc2)N(C)C)ccc3cc(OC)ccc13,1
CCN(CC)c1ccc(\C=C\c2ccc3ccc(OC)cc3[n+]2CC)cc1,1
CCN(CC)CCCOC(=O)c1c(C)oc2cc3c(C(=O)OCCCN(CC)CC)c(C)oc3cc12,1
CCCCCCN1C(=N)N(CC(O)COc2ccccc2C)c3ccccc13,1
Oc1c(cc(CN2CCN(CC2)c3cccc(c3)C(F)(F)F)c4cccnc14)[N+](=O)[O-],0
CN1CCN(CC1)c2cc(C)c3cc(NC(=S)NCC4CCN(Cc5cccc(C)c5)CC4)ccc3n2,1
CN1C(=O)\C(=C/c2ccccc2Cl)\Sc3ccc(cc13)C(=O)NC4CCN(Cc5ccccc5)CC4,0
C\C=C\c1[n+](C)c2ccccc2n1C,0
CSc1ccc2ccccc2[n+]1C,0
Cc1c2[nH]c3ccccc3c2c4CCC(C)(C)Cc4[n+]1C,0
OC(CNC1CCCC1)Cn2c3ccc(Cl)cc3c4cc(Cl)ccc24,1
OC(CNC1CCCC1)Cn2c3ccccc3c4ccccc24,0
Clc1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=S)NCc3occc3,0
Cc1ccc(C)c(NC(=O)CC2N(Cc3occc3)C(=S)N(C2=O)c4ccccc4)c1,0
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)N2CCN(CC2)C(=S)NCc3occc3,0
CCc1c2ccc(C)n2cc[n+]1CC#C,0
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)C2C(C#N)C(=N)OC3=C2C(=O)CCC3,1
COc1ccc(O)c(CN2CCN(CC2)c3cc(C)ccc3C)c1,0
Oc1ccc(Cl)cc1CN2CCN(CC2)c3cccc(c3)C(F)(F)F,0
CCOc1ccccc1N2CCN(Cc3cc(Br)cc(OC)c3O)CC2,0
Cc1cccc(N2CCN(Cc3ccccc3O)CC2)c1C,0
Cc1cccc(N2CCN(Cc3cc(Br)ccc3O)CC2)c1C,0
Oc1ccc(Br)cc1CN2CCN(Cc3ccccc3)CC2,0
Cc1ccc(C)c(c1)N2CCN(Cc3cc(Br)ccc3O)CC2,0
Cc1ccc(C)c(c1)N2CCN(Cc3cc(Cl)ccc3O)CC2,0
CCN(C(=O)C)C1=C(N2CCOCC2)C(=O)c3ccccc3C1=O,1
CCOC(=O)C1=C(C)N=C2S\C(=C/c3cc(Cl)ccc3O)\C(=O)N2C1c4ccc(cc4)N(C)C,0
Fc1ccc(Nc2nc(NCc3ccccc3)c4ccccc4n2)cc1,1
CCOc1ccc(Nc2nc(NCc3ccccc3)c4ccccc4n2)cc1,1
CC(C)c1ccccc1OC2=C(Oc3c(CN4CCN(C)CC4)c(O)ccc3C2=O)C(F)(F)F,0
ClC(Cl)(Cl)C(=O)Nc1ccccc1N2CCN(CC2)C(=O)c3ccccc3,0
Clc1cccc(NC(=O)C(Cl)(Cl)Cl)c1N2CCOCC2,0
CC(C)c1ccc(CNCC(O)c2ccccc2)cc1,0
CCOC(=O)C1(Cc2cccc(F)c2)CCN(Cc3ccccc3O)CC1,0
CCOC(=O)C1(Cc2ccc(Cl)cc2)CCN(Cc3ccccc3O)CC1,0
CCOC(=O)C1(Cc2cccc(c2)C(F)(F)F)CCN(Cc3ccccc3O)CC1,0
CCOC(=O)C1(Cc2ccccc2)CCN(Cc3cccc(OC)c3O)CC1,0
CSC(=S)N=NC(c1ccccc1)c2ccccn2,0
Brc1ccc(cc1)N=C2C(C(=O)c3ccccc3C2=O)n4nnc5ccccc45,0
CCOC(=O)C1=C(C)N=C2S\C(=C\c3ccccc3O)\C(=O)N2C1c4ccccc4,0
CC(C)CCNC(=O)c1c(C)oc2C(=O)c3ccccc3C(=O)c12,0
CCOc1ccc(\C=C\2/Oc3c(CN4CCCCC4)c(O)ccc3C2=O)cc1,0
COc1ccc(Nc2cc(C)nc(Nc3ccc(NS(=O)(=O)c4ccc(OC)cc4)cc3)n2)cc1,0
COc1ccccc1Cn2ccnc2SCC(=O)Nc3cc(ccc3Cl)C(F)(F)F,0
Cc1ccc(cc1)C(O)(CNCc2ccccc2)c3ccc(Br)cc3,0
CCCCN(CCCC)CC(O)COc1ccccc1C(=O)Nc2ccccc2,0
Oc1ccc(Br)cc1CN2CCN(CC2)C3CC4CCC3C4,0
C(Cc1ccccc1)Nc2ccnc3cc4ccccc4cc23,1
Cc1ccc(cc1)C2(CC2C(=O)Nc3ccc(cc3O)[N+](=O)[O-])c4ccc(C)cc4,0
Cc1cc(C)nc(N=C(N)Nc2ccccc2O)n1,0
CC(C)(C)c1cc(cc(c1O)C(C)(C)C)N=NC(=O)c2ccncc2,0
Oc1ccccc1Cn2c3ccccc3c4cc(ccc24)[N+](=O)[O-],0
CC(C)(C)NC(=O)C1=CN(C=C(C(=O)NC2CCN(Cc3ccccc3)C2)C1=O)C4CCCCC4,0
CC(CNC(=O)C1=CN(C=C(C(=O)NC(C)(C)C)C1=O)C2CCCCC2)c3ccccc3,0