smiles
stringlengths 7
778
|
|---|
COC1CN(C(=O)C([NH3+])C(C)C)CCC1C
|
Fc1cccc(Cl)c1c1noc(CCl)n1
|
Cc1ncoc1C(C)(C)CCC(N)=O
|
CCCC(C)N(CCC(=O)C1CCCC1)C(=O)OC(C)(C)C
|
CCOc1ccc(C(F)(F)Oc2ccc(c3cc(F)c(F)c(F)c3)c(F)c2)c(F)c1F
|
Cc1nnc(C(=O)CCl)o1
|
O=C(c1cccnc1)N1CC2NNC(C(=O)N3CCC(c4ccc(F)c(F)c4C(F)(F)F)CC3)C2C1
|
C=CCCCOc1ccc(C2CCC(OCc3ccc(c4ccc(C)cc4)c(F)c3F)CC2)c(F)c1F
|
COC(=O)C(C)(Cl)Cc1ccc(F)c(F)c1
|
CCCCCCCCCCCCCCCCCCCCCCSc1ccc(C(=O)C=Cc2ccc(OCCCCCC)cc2)cc1
|
BrCCOCc1ccc(Br)cc1
|
CC(CS(=O)(=O)Nc1cccc(F)c1)C(=O)Nc1ccc(N(C)C)cc1
|
O=[N+]([O-])c1c([O-])cc(C=NO)c(c2ccccc2)c1[N+](=O)[O-]
|
C=C(C)C1CCC(C)CC1OC(=O)CCCCCCCCCCCCCCC
|
CCCCCNC(=O)c1cc(C(=O)NCCc2ccccc2OC)ccn1
|
C#CCC(=O)C1([NH3+])CCOC1
|
Cc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)C(C)[NH+]1CCC(C(=O)NC(C(=O)NC(C)c2ccccc2)C(C)C)CC1
|
Cc1cccc(C)c1NC(=O)CN(CCC(F)(F)F)CC(O)CO
|
CCCCCCCC(=O)OCC(COP(=O)([O-])[O-])OC(=O)CCCCCCCCCCCCCCCCC(C)CC
|
[NH3+]CC1CCCCC([NH3+])CCC1
|
CCCCCCCCc1ccc(C=CC(O)C(CO)NC(C)=O)cc1
|
CCC1CC(CC(=O)OC)CC[NH2+]1
|
C=CCOC1C(C(C)OS(=O)(=O)c2ccc(C)cc2)OC2OC(C)(C)OC21
|
CC(=O)Nc1ccc2ncnc(Cl)c2c1
|
Fc1cc(F)c2c(c1)Oc1cccc(F)c1CC2
|
CC(C)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(NC(=O)C[NH3+])C(C)O)C(=O)[O-]
|
CC1CN(c2cccc(Br)c2)C(=O)CC[NH2+]1
|
COCC([NH3+])CCNC(=O)CCC1CCCC1
|
CC(O)C(=O)NCc1ccnn1C
|
Cc1ccc(C(=O)Nc2c(F)cccc2F)cc1NC(=O)C[NH+]1CCC(C(=O)NCC(=O)Nc2cc(Cl)ccc2C(=O)N2CCCCC2)CC1
|
CCC(CC)C(O)CNc1nc(C)c(C)nc1Cl
|
O=C(NN=Cc1c(Br)cc(Br)c([O-])c1Br)c1ccc2ccccc2n1
|
O=c1[nH]c(=O)n(C(c2ccccc2)c2ccccc2)cc1c1cn[nH]n1
|
Cc1cccc(C(=O)NCC(=O)OCC(=O)Nc2cc(C)nn2c2ccccc2)c1
|
CC(C)COc1cccc(C2C(=C([O-])c3ccc(F)cc3)C(=O)C(=O)N2c2ccc3c(c2)OCCO3)c1
|
CSc1ccc(Oc2c(Cl)cc(n3ncc(=O)[nH]c3=O)cc2Cl)cc1
|
Cc1ccc(C)c(NC(=O)CN2C(=O)SC(=Cc3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)c1
|
Cc1ccc2c(=O)n(CCCC3CCOC3)cnc2c1C
|
CC(c1ccccc1)[NH+]1CCN(C(=O)c2ccc(NSc3cccc4cccnc34)c(F)c2)CC1
|
O=C(NCCOCCO)Nc1ccc(Nc2ccccc2)cc1
|
Nc1ccccc1SCCOc1cccc([N+](=O)[O-])c1
|
Cc1cccc(N2CCN(C(=S)Nc3cccc4c(O)cccc34)CC2)c1C
|
CC1(C)CC2CC(C)(CN2C(=O)CC2CC[NH2+]CC2)C1
|
COc1ccc(C)cc1CS(=O)C(C)c1nc(C(C)C)no1
|
O=C([O-])c1ccc(Cl)c(c2ccc(C[NH2+]C34CC5CC(CC(O)(C5)C3)C4)o2)c1
|
CCOC(=O)c1c(Cl)c(c2ccccc2)c(N=[N+]=[N-])n2c1nc1ccccc12
|
[NH3+]CCc1sccc1c1ccccn1
|
CC(C)(C)CC1NC(C(=O)N2CC[NH+](CC(=O)NCCC3COC(C)(C)O3)CC2)C(c2cccc(Cl)c2F)C1(C#N)c1ccc(Cl)cc1F
|
CC(C)S(=O)(=O)c1[nH]c(Br)c[nH+]1
|
NC(=O)c1nn(Cc2cccc(F)c2Cl)cc1N
|
NC(=O)COC(=O)NCCC1CCN(c2nccc3ccccc23)CC1
|
[NH3+]C1CCCC1C(=O)N1CCCC2CCCC21
|
CCOc1cc(F)cc2scc(CBr)c12
|
Cc1ccc(c2ccc3ncc4c(c3n2)N(c2ccc(C(C)(C)C#N)cc2)C(=O)N(C)C4)cn1
|
O=C(Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1)c1cccs1
|
CC[NH+](CC)CCCc1cc(C(N)=O)ccc1F
|
Cc1cc(C)cc(NC(=O)C(C)NC(=O)C2CC[NH+](C(C)C(=O)Nc3ccc(C(=O)N4CCCC4)cc3C)CC2)c1
|
CCCCCCOc1ccc(Cl)cc1C=C1C(=O)NC(=S)NC1=O
|
COc1ccc2sc(CN3CC[NH2+]CC3)cc2c1
|
CCCN(CCC)C(=O)CS(=O)CCCC(N)=O
|
NS(=O)(=O)c1ccc2cccsc1-2
|
CC(C=CCC(=O)N1Cc2ccccc2CC1CO)C1(O)C(=O)N(Cc2cccc(N3N=C(c4ccccc4)CCC3=O)c2)c2ccc(N3N=C(c4ccccc4)CCC3=O)cc21
|
Cn1nc(c2ccncc2)c2c1OC([NH3+])=C(C#N)C2c1ccc(n2ccnc2c2ccccn2)cc1
|
CC1C[NH+](CC(O)c2cccc(Cl)c2)CCN1CC(F)(F)F
|
O=C(NCc1ccc(Cl)nc1)Nc1cccc(c2nc3ccccc3s2)c1
|
CC(C)C[NH2+]Cc1cccnc1Oc1cccc(F)c1F
|
CCN(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)C1CCS(=O)(=O)C1
|
Cc1nc(N)c(C(C)c2cccc(c3cnn(C)c3)c2)c(c2ccccc2)n1
|
COP(C)(=O)OCC(=O)CCCCCO
|
O=C1OC(=O)c2cc(C#Cc3ccccc3)c3c4ccc5c6c(cc(C#Cc7ccccc7)c(c7ccc1c2c73)c64)C(=O)OC5=O
|
Cc1nn(C)c(C)c1NC(=O)Cn1nc(C(F)F)c(Br)c1C
|
Cc1c(C(=O)N(CC#N)CC#N)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2
|
CN(C)S(=O)(=O)c1cc(C(=O)NC2CCCCC2)ccc1Br
|
CC(C)Oc1ccc(CCNC(=O)CS)cc1
|
Cc1cccc(NC(=O)c2sc(=S)n(C3CCCCC3)c2N)c1
|
CCCCC(Oc1ccccc1C(=O)[O-])C(=O)[O-]
|
CCCOc1c(Cl)cc(CNc2ccccc2CO)cc1OC
|
Cc1csc(C[NH3+])c1S(=O)(=O)NC(C)CCCC(C)C
|
CC[NH+](CCOP(OC(C)(C)C)OC(C)(C)C)CCC(CSc1ccccc1)Nc1ccc(S(N)(=O)=O)cc1S(=O)(=O)C(F)(F)F
|
CCC(CC)CC(=O)C1(O)CCCC1
|
O=C(Nc1nnc(C2COc3ccccc3O2)o1)c1ccc([N+](=O)[O-])cc1
|
COc1ccc(N2C(=O)CC(Nc3cccc(S(N)(=O)=O)c3)C2=O)cc1OC
|
[NH3+]CCCc1ccc(n2cccn2)c(Cl)c1
|
Cc1nn(C)c2c1nc(C(C)Cl)n2CC1(C)CCC1
|
Cc1cn(Cc2ccc(F)cc2F)c2nc(Cl)ccc12
|
NC(=O)CC(NC(=O)C1CCCN1C(=O)Cc1ccccc1)C(N)=O
|
Cc1ccc(n2nc(C(=O)NCc3cccnc3)cc2C)cc1
|
C[NH+]1CCC(C2CC2CNc2nnccc2C#N)CC1
|
CCc1ccccc1NC(=O)CSc1nnc(c2ccccc2OC)o1
|
CC(C)(C)COCCOCCOC1CCCCO1
|
COc1cc(OC)c(C(=O)c2ccccc2)cc1C=C1C(=O)N(C)C(=S)N1C
|
Cc1ccc([N+](=O)[O-])c2[nH]cc(C=O)c12
|
CCc1ccccc1NC(=O)C[NH+]1CCN(C(=O)c2cc(C)ccc2O)CC1
|
C=CCOc1c(Br)cc(C=C2N=C(C)OC2=O)cc1OC
|
CCNC(NCCCc1nnc2n1CCCCC2)=[NH+]Cc1ccccc1F
|
Cc1ccc(CNC(=O)c2cn(c3ccc(F)c(C)c3)nn2)cc1
|
COc1ccc(CCNc2cc(C(=O)NCC[NH+]3CCOCC3)nc(C)n2)cc1
|
COCC(C)(NC(=O)C1=Cc2cccc(OC)c2OC1)C(=O)[O-]
|
Cc1ccc(NC(=O)N2CCC(C)(C)CC2)nc1
|
CCC(=O)C1C(=O)CC(c2c(C)cc(C(C)=O)c3ccccc23)CC1=O
|
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