smiles
stringlengths 7
778
|
|---|
CC(C)(C)c1cc(C(C)(C)C)c(P(C(=Cc2ccccc2)c2ccccc2)C(CO)c2ccccc2)c(C(C)(C)C)c1
|
O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ncnc2c1CC[NH+](Cc1ccc(C(F)(F)F)cc1C(F)(F)F)C2
|
COc1c(C)cc(C([NH3+])CCC#N)cc1C
|
C[NH2+]Cc1ccc(S(=O)(=O)Nc2cc(Br)ccc2Cl)s1
|
O=C(NC1CC1)C1CCCN1C(=O)Cc1cnc2ccccc2c1
|
CC1CN(C(=O)Oc2ccc(F)c(F)c2)CC(C)O1
|
C=CCNc1ncnc(Nc2cc(OC)ccc2OC)c1N
|
C#CCC(CO)(CC#C)COCc1ccccc1
|
O=[N+]([O-])c1ccc(Oc2c(Cl)cc(S(=O)(=O)Nc3ccc(Oc4ccc(I)cc4)c(Br)c3)cc2Cl)c(Cl)c1
|
O=C(NCc1nncn1c1ccccc1)Nc1ccc(N2CCCC2=O)cc1
|
CC(C)Cc1noc(CNc2ccccc2OC(F)(F)F)n1
|
N#Cc1ccc(c2nnc3ccc(NCC(N)=O)nn32)cc1
|
CC(C)(C)c1noc(CSc2n[nH]c(Cc3cccs3)n2)n1
|
Cc1ccc(Pc2cc(Cc3ccccc3)ccc2O)c(C(C)S)c1
|
CNc1[nH+]c(Cl)cc(N)c1C(N)=O
|
COBN1CCN(c2cc[nH+]cc2NC(=O)c2ccnc(c3csc4ccccc43)n2)CC1
|
CC(C)CC1[NH2+]CC(C)c2oc(Cl)cc21
|
CCc1cccc(N2C(=O)CSC2c2ccc(NC(=O)c3ccccc3Cl)cc2)c1
|
Cc1nccc(OC2CCCN(C(=O)Cc3cccs3)C2)n1
|
CCC[NH2+]C1CC[NH+](Cc2ccccc2C)C(C)C1C
|
COc1ccc(N)c(C(=O)NC(C)Cn2cccn2)c1
|
COC(C)(C)CNc1nc2ccc(F)cn2n1
|
CC(C)[NH2+]Cc1cnc(N2CCc3ccccc32)s1
|
O=C1CCN(c2ccc(OC(F)(F)F)cc2)C(=O)C1
|
N#CC1=C(N)C(C#N)(C#N)C(c2ccc([N+](=O)[O-])o2)C2CCCC=C12
|
COCC(C)CC(O)c1cccs1
|
CCC[NH2+]C(c1cccc(C(F)(F)F)c1)C1CCOC1
|
Cc1[nH]nc(NC(=O)Cc2csc(c3ccsc3)n2)c1C
|
CCCCCC=CCC=CCCCCCCCCOC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC
|
CN(C)c1ncccc1c1cc(Cc2ccc(OCc3ccccc3)cc2)no1
|
CS(=O)(=O)CCSc1c(F)cccc1C(=O)[O-]
|
COc1ccc(NC(=O)CN(Cc2ccco2)S(C)(=O)=O)cc1
|
COCCCc1cc(C(F)(F)F)ccc1C1CCOc2cc(S(=O)(=O)[N-]c3ncc(F)cn3)ccc21
|
Cc1ccc(c2cnc[nH]2)cc1C
|
CCNC(C#N)CCOCC(C)C
|
COC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(C)OC(C(C)CC2CCC(OCCO)C(OC)C2)CC(=O)C(C)=CC(C)C(C)C(OC)C(=O)C(C)CC(C)C=CC=CC=C1C
|
Cc1cc2c(cn1)c(=O)cc(N1CC[NH+](CC3CCCCC3)CC1)n2c1ccccc1
|
CCc1sc(=NC(=O)c2ccccc2)n(C)c1c1ccc(F)cc1
|
CC(=O)Nc1ccc(NC(=O)C(C#N)=Cc2ccc(Br)cc2)cc1
|
Cc1ccc(Cl)c2sc(N(Cc3ccccn3)C(=O)c3ccc(Cl)s3)nc12
|
O=C(c1ccccc1)c1c(Cl)ccc(c2cccc(Cl)c2OCc2ccccc2)c1Cl
|
Cc1nn(C)c(C)c1CNC(=O)c1cccc2c1ccn2C
|
Cc1ccc(c2cc(C(=O)[O-])nc(n3cnnn3)c2)cc1
|
CCCCCc1c(O)c(O)cc(O)c1C(=O)OCC
|
Cc1c(C(=O)NN=Cc2cccnc2)nnn1c1nonc1N
|
COc1cc([S-])cc2cc(C=O)sc12
|
CCCCN(CC)C(=O)N1CCC(NC(=O)c2ccccc2Br)CC1
|
[NH3+]Cc1cccc(COC2CCCCC2)c1
|
Clc1nc2ncnn2c(Cl)c1c1cccc2c1OCCO2
|
CCCn1cc(C(O)c2ccccc2CC)cn1
|
O=C(CSc1nnc(c2cccnc2)n1Cc1ccco1)c1ccc2c(c1)CCC2
|
COc1ccc(CNC(=O)C2CCC[NH+](Cc3nc(c4cccc(Cl)c4)no3)C2)cc1
|
CCc1nn(C)c(CN2CCC[NH2+]CC2=O)c1Cl
|
CCC1CC(=O)c2cc([N+](=O)[O-])ccc2C1
|
CC(C)(CO)NC(=S)N1CCN(C(=O)c2ccco2)CC1
|
CC(C)CC(O)CNC(=O)Nc1ccc(F)c(C#N)c1
|
CC1(C)Cc2c(sc3nc(Cc4ccccc4)[nH]c(=O)c23)CO1
|
FC(F)(F)C1=CC2C=CC1C1C=CC2O1
|
CC[NH2+]C(CC)COc1ccccc1OC
|
CN1C(=CC(=O)COC(=O)c2cccc(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)C(C)(C)c2ccccc21
|
C=C1C[NH+]2CCC1C(=O)C2c1cccc(Br)c1
|
N#Cc1cc2c(nc1N1CCCC1CO)CCC2
|
CCC(CC)C(O)CNC(=O)Cc1cc2ccccc2[nH]c1=O
|
CCc1nncn1CCNC(=O)NC(CC)CCO
|
COC(=O)CC(NC(=O)C=Cc1cccc([N+](=O)[O-])c1)c1cccs1
|
COc1cccc(CCn2cnc3sc4c(c3c2=O)CCC([NH2+]Cc2ccc(F)cc2)C4)c1
|
Clc1cc(Br)c2nc(c3ccccc3)[nH]c2c1
|
C=CCSC(N)=[NH+]C=N[NH3+]
|
C=CCn1cnc2c(c3ncnc4c3ncn4CC=C)ncnc21
|
Cc1nc(C(C)C)ccc1C(=O)NCC1CC(c2nncn2C)CC1O
|
NC(=[NH2+])c1cccnc1n1c(=O)[nH]c2cccc(F)c21
|
CC(C)(C)C1CCC(=C2CCC(C(C)(C)C)CC2)CC1
|
Cc1cc(C)cc(n2ncc(NCC[NH+]3CCOCC3)c(Cl)c2=O)c1
|
Cc1nnc(SCC2OC(c3ccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3)OC(c3ccc(CO)cc3)C2C)s1
|
CC1CC(Oc2cc(N)ccc2C(C)(C)C)CCN1C(=O)[O-]
|
CC1CCC(NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)CC1
|
CC(C[NH3+])CN(C)C(=O)c1cc(O)ccc1Cl
|
CCCCN(C(=O)c1ccccc1Cl)c1nnc(c2cc(C)c(C)c(C)c2)s1
|
Fc1ccc(F)c(NC(=S)Nc2cccc(Cl)c2F)c1
|
CC(C)C1CC(O)(Cc2nccs2)C1
|
Cc1nn(C)c(C)c1C=NNC(=O)C1COc2ccccc2O1
|
Cc1c(CO)c(c2ccc(F)cc2)c(C)n1c1ccccc1
|
O=C(c1ccc(N2CCOCC2)cc1)N1CCCC(C2OCCO2)C1
|
CN(C(=O)C1CSCN1S(=O)(=O)c1cnc[nH]1)C1CC1
|
O=[N+]([O-])c1cccc(C2CC(C3CC[NH+](Cc4ccc(C(F)(F)F)cc4)CC3)NN2)c1
|
Clc1cc(Cl)nc(c2ccc(Cl)c3cccnc32)n1
|
CCc1ccccc1C[NH+]=C(N)Nc1ccccc1OC(F)(F)F
|
COc1ccc(NC(=O)c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1Cl
|
CCCC(CCBr)CNC(=O)c1ccnnc1
|
Cc1ccc(CC(=O)NN=Cc2cccc(Cl)c2)cc1C
|
BCC(=O)Nc1cc(Cl)ccc1OC
|
c1ccc(COc2ccc3c(c2)cc2c(c4ccccc4)nc4ccccc4n32)cc1
|
COc1ccc(N2CCN(C(=O)c3cc(c4ccc(C)cc4)nc4cc(C(C)(C)C)nn34)CC2)cc1
|
Fc1ccc(F)c(OCc2ccccc2C2CC[NH2+]CC2)c1F
|
C1=Cc2c(cc3c4c2c(N(c2ccccc2)c2ccccc2)ccc4c2c(c4ccccc4)c4cc5c6ccccc6c6cccc(c65)c4c(c4ccccc4)c32)CC1
|
O=C1c2ccc(S(=O)(=O)[O-])cc2C(=O)c2cc(S(=O)(=O)[O-])ccc21
|
CCC1(C(=O)NCC2CCCCC2C)CCC[NH2+]C1
|
Cc1sc(C(N)=O)cc1S(=O)(=O)Nc1ccc(NC(=O)c2ccccc2)cc1
|
O=C(c1ccc(Cl)cc1F)C1Cc2ccccc21
|
CC1(c2ccc(O)cc2)C(=O)c2c(N3CC[NH2+]CC3)cc(Cl)cc2N(Cc2ccc(O)cc2)C1=O
|
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