smiles
stringlengths 7
778
|
|---|
Cc1cccc(OCC(=O)Oc2ccc3c(c2)OC([NH3+])=C(C#N)C3c2ccc(C(C)C)cc2)c1C
|
CNC(=O)C1CCCN1c1cc2c(cc1N)OCCO2
|
Cc1nc2c(n1C)C=CC(C=CC(=O)NO)C2
|
N#CCc1nc(C(F)F)c(CCl)cc1OC(F)(F)F
|
COCC[NH+](C)CCn1cc(C(=O)NN)nn1
|
CC(C)COc1cccc(C(=O)NCCCn2cnc3ccccc32)c1
|
CC(=O)c1nnc2scc(c3cc(C)ccc3C)n12
|
COc1nc2ccc(C(O)(c3ccc(C)nc3C)c3ncnn3C)cc2c(Cl)c1OCC1(C)COC1
|
COc1ccccc1C(=O)Nc1cc(NC(=O)C2CCCN2C(=O)C2CC[NH+](C(C)C(=O)Nc3cccc(C(=O)Nc4ccc(F)cc4)c3C)CC2)ccc1C
|
CCOCC(C)Nc1ccc(OCC(F)(F)F)cc1
|
CCCNc1cc(C(=O)Nc2ccccc2C(=O)OC)nc(C)n1
|
CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)OCn3nnc4ccccc4c3=O)c2)cc1
|
CC(C)C(C)C(=O)NC1(C(N)=S)CCCCCC1
|
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C[NH+]1CCC(C(=O)NCCC(=O)Nc2cccc(C(=O)Nc3ccc(F)c(F)c3)c2)CC1
|
Cc1c(C#N)c2nc(C3CC3)oc2c(F)c1c1cc(F)ccc1F
|
CCC([NH3+])=CCN(Cc1ccc(CN(CC(C)(C)C[NH3+])C(=O)CCC(=O)OC)cc1)C(=O)CCC(=O)OC
|
Cc1ccc(n2c(C)cc(C=NNC(=O)c3ccc(C)c(Cl)c3)c2C)cc1
|
O=C(CSc1nnc(c2ccccc2)o1)Nc1cc(=O)[nH]c(=O)n1CCc1ccccc1
|
Cc1c(NC(=O)C(C)[NH+]2CCC(C(=O)NC(C)C(=O)Nc3cc(NC(=O)C(C)C)ccc3Cl)CC2)cccc1C(=O)Nc1ccc(F)cc1F
|
Cc1sc(NC(=O)c2ccccc2)c(C(=O)N(Cc2ccccc2)Cc2ccccc2)c1C
|
Cc1noc(C2CCCN(C(=O)CSCc3nc4ccccc4s3)C2)n1
|
CC(C)C1CCCN1CC[NH2+]C1CCCCC1C
|
O=NN(CC1(O)OCC(O)C(O)C1O)C(Cc1c[nH]c2ccccc12)C(=O)[O-]
|
CN(C)c1cccc(c2ccc(C(F)(F)F)cc2)c1F
|
O=C1NC2C(=O)N(S(=O)(=O)C3CC3)C2C=CCCCCCCC(=O)N2CCCC12
|
CC(=O)OCC1CC1(COC(C)=O)n1c(C)nc2nc(N)nc(Cl)c21
|
O=[N+]([O-])c1ccccc1c1nnc2c3ccccc3nc(N3CC[NH+](Cc4ccc(Cl)cc4)CC3)n12
|
Cn1c(N)c(C(=O)[O-])c2ccc(Cl)cc21
|
NC(=O)COCC([NH3+])c1ccc(Cl)s1
|
COC(=O)c1ccc(OCC2[NH2+]C3C4C=CC(C4)(O2)C3C2CN=CS2)c(Cl)c1
|
[NH3+]C1C(OC2C(C(=O)[O-])OC(OC3C(CO)OC(O)C(NS(=O)(=O)[O-])C3O)C(OS(=O)(=O)[O-])C2O)OC(COS(=O)(=O)[O-])C(O)C1O
|
Cc1cc(C(N)=O)ccc1NC(=O)C[NH+]1CCC(C(=O)NCC(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)CC1
|
NN1C(=C[NH3+])c2ccccc2C1CC(O)C1CCC2(CC1)OCCO2
|
CC(=O)Nc1ccc(c2nc(C(=O)N3CC[NH+](C)CC3)c(C)s2)cc1
|
O=C(CSc1cn(Cc2ccccc2)c2ccccc12)c1ccccc1
|
CCCCCCc1oc(C)cc1O
|
Cc1ccccc1NC(=O)C1CCN(c2cccc(Cl)c2)CC1
|
CCC(C)NC(=O)CSc1n[nH]c(C(C)C)n1
|
CC(=O)c1ccc(OCCCC(=O)OCC(=O)N2c3ccccc3CC2C)cc1
|
O=C([O-])C1CSCN1C(=O)Cn1cnnn1
|
CC(=O)SCC(C)C(=O)[N+]1(C(=O)[O-])CC(Cc2ccc(C)cc2)CC1C
|
CCC(CC)C(NN)C(F)(F)F
|
Cc1noc(CSCC(=O)NCc2c[nH+]c3cnccn23)n1
|
CNC(c1cc(Br)c(F)cc1OC)C(F)(F)C(F)F
|
Cc1occc1C(=O)N(C)Cc1ccc(C#CC[NH3+])cc1
|
COc1cc(C=C2SC(=S)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1C#N
|
CC(C)C1[NH2+]CC(=O)N1CC(C)[NH+]1CCCC1
|
C=CCn1c(CC(C)(C)C(=O)[O-])c(Cc2ccc(Cl)cc2)c2ccc(OCc3ccc4ccccc4n3)cc21
|
[NH3+]C(Cc1ccc(F)c(Cl)c1)C1Cc2ccccc2S1
|
CCC(Sc1cccc(NC(=O)c2cccc3cccc(C(=O)[O-])c23)c1)C(=O)Nc1ccc2c(c1)OCCO2
|
CC(=O)OC(C(C)=O)n1c(=O)n(CC2CO2)c(=O)n(CC2CO2)c1=O
|
CC1(C(=O)[O-])CCCN1C(=O)c1ccc2c(c1)NC(=O)CO2
|
C[NH+]1CCOC(CNC(=O)Cc2ccccc2N)C1
|
CCN(C(=O)c1cc(C(C)C)n(C)n1)C(C)COC
|
O=C(C1CCCC(C(F)(F)F)C1)N(Cc1cccc(Br)c1)C1CC1
|
CCC(O)C1CCN(C(=O)CC2(c3ccccc3Cl)CC(=O)N(CCOC)C2=O)CC1
|
CN1C(=O)COc2ccc(NC(=O)N3CCC(NC(=O)Cc4ccc(F)cc4)CC3)cc21
|
N#Cc1ccc(N2CCCCCC2CO)c(F)c1Br
|
COc1cc2ncnc(Sc3cccc(NC(=O)Nc4cc(C(C)(C)C(F)(F)F)on4)c3)c2cc1OC
|
CCOC(=O)c1nn(c2ccc(C)cc2)c2c1CN(C(=O)Nc1ccc(C(C)(C)C)cc1)CC2
|
O=C(OC(=O)c1c(I)c(I)c(I)c(I)c1S(=O)(=O)[O-])c1ccccc1
|
CC(C)(C)c1csc(COc2c(N)cccc2C(=O)[O-])n1
|
O=C(C=C(O)c1c(Cc2ccncc2)coc1Cl)c1ncn[nH]1
|
CCc1nncn1CCNC(=[NH+]CCC[NH+]1CCOCC1)N(C)Cc1ccccc1C
|
O=C(NC(CCCc1ccccc1)C(=O)NO)C1CCCCC1
|
O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1
|
Cc1ccc(C)c(C(=O)OCC(=O)NC2(C)CCS(=O)(=O)C2)c1
|
CC=CC(=O)N(CC(F)(F)F)C(C)C
|
CSc1ccc(O)c(C2(C(=O)[O-])CCCC2)c1
|
CC(C)NC(=O)Cn1c(=O)c2cc(N3CCC[NH+](C)CC3)ccc2nc1c1cccc(Cl)c1
|
CCc1ccc(OC(C)C(=O)NCc2nnc(SCC(=O)NC(C)c3ccccc3)n2CC)cc1
|
CC(=O)c1cc(C(=O)[O-])n(c2ccc(F)cc2C)c1
|
COC(=O)c1cc2ncn(C)c2c(Cl)c1N
|
CCCCCCCCCCC(NC(=O)c1cc(C(=O)NC(CCCCCCCCCC)C(=O)OCC)cc(C(=O)NC(CCCCCCCCCC)C(=O)OCC)c1)C(=O)OCC
|
Oc1c2c(ccc1c1ccccc1)CCC2
|
CCn1nc(C)cc1C(=O)N1CCCCNC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(Cc2ccccc2)NC(=O)c2ccc(cc2)C1
|
CCC(C)C1CC(=O)NC(CC[NH3+])C(=O)NC(C(C)CC)C(=O)NC(CC[NH3+])C(=O)NC(C(C)CC)C(O)[NH2+]C(CC(C)C)C(=O)NC(CC[NH3+])C(=O)NC(C(C)C)C(=O)NC2CC(C)N(C2=O)C(CO)C(=O)O1
|
CCOC(=O)c1sc(NC(=S)Nc2nn(Cc3ccc(C)cc3)cc2Br)c(C(=O)OCC)c1C
|
NC(=O)c1cc(F)cc(C(F)F)c1F
|
CONC(=O)c1cc(N2C(=O)C(C)(C)CS2(=O)=O)ccc1Cl
|
CCC(C)CC(C)[NH2+]C1CCC(OC)CC1
|
CCCCC(CC)C([NH3+])c1c(CC)oc2ccccc12
|
CCn1ncc(N(C)CC2C[NH2+]CCO2)c(Br)c1=O
|
Cl[Si](Cl)(Cl)CCCCCCCCCCCOCc1ccccc1
|
CNc1ncc(F)c(NC2CC[NH+](C)CC2)n1
|
CC(C)[NH2+]CC(O)CN1C(=O)N(C)Cc2ccccc21
|
Cn1cnc2c(N(Cc3ccccc3)OCc3ccccc3)ncnc21
|
Cc1ccc2c(CC(=O)Nc3ccc(Cl)cn3)coc2c1
|
FCCCC(Br)I
|
CC(C)[NH+]1CCCN(C(=O)C2CCCCCC(=O)C2)CC1
|
Cc1cc(Br)cnc1N1CCC(NC(=O)OC(C)(C)C)C1
|
CCn1ncc(OC)c1C([NH2+]C)c1cnc(C)cn1
|
CC1CCCCC1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-]
|
CCC1CCCC[NH+]1Cc1ccc(C[NH+]2CNc3c(c(=O)n(C)c(=O)n3C)C2)o1
|
[O-][n+]1nn(CC(O)CCl)c2ccccc21
|
Cc1ccc(F)cc1S(=O)(=O)N1CCCC(C(=O)NCC[NH3+])C1
|
CC(C)(C)[NH+]1CC(O)(C2C(=O)C[NH+]2C(C)(C)C)C1
|
O=C(C(=O)N1CCCC1c1nc(C2CC2)no1)c1c[nH]c2ccccc12
|
Cc1cc(c2ccc(c3nc4ncc(C(F)(F)F)cc4[nH]3)c(F)c2)cnc1OCC(C)(C)C(=O)[O-]
|
CCc1ccccc1NC(=O)C(=O)NCC(O)c1ccccc1Cl
|
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