smiles
stringlengths 7
778
|
|---|
CCCCCCCCCCC(Cl)Oc1c2ccccc2cc2ccccc12
|
CNc1ncc(Br)c(Oc2cccc(I)c2)n1
|
CCOC(=O)N1CCN(C(=O)C(CCC(=O)[O-])NC(=O)c2cc(OCC(=O)NC3(C(=O)NC4CC4)CCC3)n(c3ccccc3)n2)CC1
|
NNc1c(Cl)cc(OC(F)(F)F)cc1Cl
|
COCC[NH2+]Cc1c[nH+]c(c2cc3nccc(Oc4ccc(C(C(N)=O)C(=O)N(C)c5ccccc5)cc4F)c3s2)n1C
|
CCC(C)(C)NC(=O)C[NH2+]CCCCCSC
|
COc1ccc(c2nc(C[NH2+]C3CC3)n3c4cc[nH]c4ncc23)cc1
|
O=C(OCc1cc(Cl)c2c(c1)OCCCO2)C1=Cc2ccccc2OC1
|
Cc1ccc(c2csc3ncnc(SC(C)C(=O)NCC4CCCO4)c32)cc1
|
C[NH2+]CCC1C[NH+](C)CC(C)N1c1ccccc1F
|
CC(C)[NH2+]C1(CO)CCC(C(F)(F)F)CC1
|
Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1NC(=O)C[NH+]1CCC(C(=O)NC(C(=O)Nc2cc(NC(=O)C3CCCCC3)ccc2F)C(C)C)CC1
|
Cc1ccc(S(=O)(=O)NC(=O)CCNC(=O)OC(C)(C)C)cc1
|
C=CCN(CCC(N)=S)C(=O)CC
|
Nc1[nH]c(=O)ncc1c1ccoc1
|
CC(CO)(CO)[NH2+]C1CCc2c(O)cccc21
|
Cn1nc(C2CCN(C(=O)C[NH+](C)C)CC2)nc1c1cnc(N)c(n2nnc3ccccc32)n1
|
CCCC(CCO)C[NH2+]C1CC(c2cccc(C)c2)C1
|
O=C([O-])C1CCCCC1c1nnc2ccc(Br)cn12
|
CC(C)CN(CCC#N)C1CC([NH3+])c2ccccc21
|
C#Cc1cccc(NC(=O)CN(C)C(=O)C(C)n2c(=S)[nH]nc2c2cccs2)c1
|
CC(C)c1cc(C(=O)c2ccc(F)c(F)c2F)c(N)o1
|
CCC(C)NC(=O)c1ccc(OC)c(NC(=O)CNC(=O)C2CC[NH+](C(C)C(=O)Nc3cc(C(=O)N4CCOCC4)ccc3Cl)CC2)c1
|
CCC[NH2+]C(Cc1ccc(Cl)cc1)Cc1c[nH+]ccc1N
|
CC(O)C([NH3+])CNc1ncc(Cl)cc1F
|
CC1(c2ccc(F)c(F)c2)OC([NH3+])=C(O[Si](C)(C)C)C1=O
|
CC(C)(C)OOC(CC(=O)[O-])(OOC(C)(C)C)C(C)(C)C(=O)[O-]
|
c1cncc(c2cccc3[nH]c(c4n[nH]c5cnc(c6cncc(C[NH+]7CCCCC7)c6)cc54)nc32)c1
|
CCN(C)C(=O)C=Cc1cccc([N+](=O)[O-])c1
|
CCOc1ccc(CCC(=O)N(Cc2ccccc2)C(Cc2ccccc2)C(=O)NCC(C)C)cc1OCC
|
C=C(c1ccccc1)n1cncn1
|
Cc1ccc(C[NH2+]C2CCC(=O)NC2)nc1
|
O=C(Nc1ccc(N2S(=O)(=O)c3ccc(C4CC(C(=O)Nc5ccc(N6S(=O)(=O)c7ccc(C8CC8C(=O)Nc8ccc(N9S(=O)(=O)c%10ccccc%10S9(=O)=O)cc8)cc7S6(=O)=O)cc5)C4)cc3S2(=O)=O)cc1)C1CCCC1
|
Cc1cc(C(Br)c2cc3c(cc2Cl)NC(=O)C3)c(C)o1
|
N#Cc1cc([N+](=O)[O-])ccc1NCc1cn2cc(Br)ccc2[nH+]1
|
Cc1ccc(NC(=O)C(C)OC(=O)CN(c2ccccc2C)S(C)(=O)=O)cc1
|
CC(C)NC(=O)Cc1csc(SCc2ccc(Cl)cc2)n1
|
CCOc1ccc(C(=O)NCC(c2ccsc2)[NH+]2CCOCC2)cc1OCC
|
COCCC1(c2noc(C3CC3)n2)CCCN(C(=O)c2cscn2)C1
|
CCc1ccc(C(C)[NH2+]C=CC(=O)[O-])cc1
|
CC(C)c1cc(C2CCCN2C(=O)c2cn(c3ccccc3)nn2)no1
|
O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1
|
CC(C(=O)[O-])C(=O)N(C)Cc1ccc(N(C)C)cc1
|
CCCC([NH2+]CC(=O)NCc1ccc(OC(F)F)cc1)C(=O)[O-]
|
CC(C)[NH+]1CCC(CNC(=O)COc2ccc(C(=O)c3ccc(Cl)cc3)cc2)C1
|
CN=CC1CCN(c2ccc(OC)cc2)S1(=O)=O
|
CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)CN=C3NS(=O)(=O)c4ccccc43)ccc21
|
Cc1ccc(C)c(C2c3cccn3CCC[NH+]2Cc2cccnc2)c1
|
CCC(C)(C(O)Cc1c(F)cccc1F)[NH+]1CCOCC1
|
COc1c(O)ccc(O)c1Cl
|
C=C(C=NC(C=CC(=C)N(CC(C)CCC(C)C)c1c(F)c(CC)cc(OC)c1F)=C(C)C)c1cnn(C)c1
|
CSc1c(C(=O)[O-])cc2sccc2c1F
|
Cc1cnn(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1N
|
CC1CCC(C(C)C)C(NC(=O)C(C)Nc2ccccc2)C1
|
CCOC(=O)CC(CC(F)(F)F)(CC(F)(F)F)P(=O)([O-])[O-]
|
Cc1ccc(S(=O)(=O)OCC2(CO)CCC3(CC2)OCCO3)cc1
|
CSc1c(C#N)c(NC(=O)C2CCCO2)nn1c1ccccc1
|
COc1ccc(OC)c2sc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)nc12
|
CCC(C)CC(C[NH2+]C)c1ccc(C)cc1
|
COc1ccc(NC(=O)C[NH+](Cc2ccccc2C(F)(F)F)C2CC2)cc1OC
|
O=C(c1c(F)cccc1F)N1CC2(CC[NH+](Cc3cccc(Cl)c3)CC2)c2cc(Cl)ccc21
|
CCCCC1(C)NC(=O)N(CC(=O)OCC(=O)NC2(C#N)CCCCC2)C1=O
|
CCc1ccccc1NC(=O)C(=O)NN=Cc1cccc([N+](=O)[O-])c1
|
COc1ccc(c2noc(COc3cccnc3N)n2)c(OC)c1OC
|
CCOC(=O)C(C#N)=CNNC(=O)c1ccccc1C
|
CCOC(=O)C([NH2+]C(O)C1CCN(C(=O)OC(C)(C)C)C1)C(=O)c1ccc(Oc2ccccc2)cc1
|
C=C1CCN(C(=O)c2cc(C(C)C)nc3c2c(C)nn3C(C)(C)C)CC1
|
CN=c1scc(C[NH+]2CCN(C(=O)C(c3ccccc3)N(C(=O)[O-])C(C)(C)C)CC2)n1C
|
CCCC(C)([NH3+])C(=O)NCCc1ccc(I)s1
|
CC(C)c1ccc(Sc2ccc(C=O)cn2)cc1
|
COC(=O)N1c2cc(Cl)ccc2-n2cnc(c3noc(C(C)(C)C)n3)c2C1(C)C
|
O=C(NCC1C[NH2+]C1)c1csc(c2ccccc2F)n1
|
COc1cccc(C=c2sc3n(c2=O)C([NH3+])=C(C#N)C(c2cccc(OC)c2)C=3C(=O)Nc2cc(C)cc(C)c2)c1
|
O=CC1CCC[NH+](Cc2nnc(c3ccco3)o2)C1
|
CC([NH2+]CC1CNNC1c1ccc(F)cc1)C(C)n1cccn1
|
CCc1cc(I)cnc1Br
|
c1c[nH]c(CNc2cnc3ccccc3c2)c1
|
COc1ccc(c2cc(OC)c(c3ccccc3)cc2OC)cn1
|
Cc1c(NNc2noc(c3ccccc3)c2C)noc1c1ccccc1
|
Cc1cccc(NC(C)(C(N)=O)C2(C)CC2)c1
|
O=C(NCCCC1CC1)C1CC1
|
CCOC(=O)c1nc(Cl)c2cc(c3ccc(F)cc3)sc2n1
|
N#Cc1ccc(CS(=O)(=O)N2CCC(CC[NH3+])CC2)cc1
|
CC(C)(C)OC(=O)C[NH+]1CCN(Cc2cccc(Nc3nccc(c4ccc(Cl)nc4)n3)c2)CC1
|
CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccc3oc(=O)ccc3c2)c1
|
CCN(CC)CCS(=O)CC(=O)c1ccc(Cl)cc1
|
CC(CNc1[nH]cnc(=O)c1N)[NH+](C)C1CC1
|
COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccc(N)nc3)CC2)c1
|
N#Cc1nc(CO)cc(OC(F)(F)F)c1F
|
Cc1cc(NS(=O)(=O)CCOC(C)C)cc(C(=O)[O-])c1C
|
Cc1ccccc1CCC(=O)NCC([NH3+])C(C)C
|
O=C(Nc1ccc(F)cc1)Nc1ccc(Oc2cc(n3cccn3)ncn2)cc1
|
C[NH+]1CCCCCC1C(=O)N1CCC2(CC1)CCN(Cc1ccccc1)C2=O
|
Cc1cc(c2ccc(c3ccc(OCCOCC4OC4C)cc3)cc2)ccc1OCCOCC1OC1C
|
C[NH+](C)CC1CCCN1C1CCCC(O)C1
|
COCC(C)NS(=O)(=O)c1ccc(OC)c(Br)c1
|
CCCOc1ccc(C[NH+]=C(NCC)N2CCC(COCC)C2)cn1
|
O=C(NC1CCC1)N1CC[NH+](C2CCCC2)CC1
|
C[NH+]1CCN(c2ccc(Nc3ncc4c(n3)-c3nn5c(c3CC4)C(=O)NCC5)cc2C(F)(F)F)CC1
|
Cc1cccc(NC(=O)C(C#N)=Cc2ccc(OCc3ccc(C(=O)[O-])cc3)c(Cl)c2)c1
|
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