smiles stringlengths 7 778 |
|---|
CCCCCCCCCCCC([NH2+]CCc1coc([Si](CC)(CC)CC)c1)OC(C)=O |
Cc1cc(C)c(NC2=[NH+]CC(C(C)C)S2)c(Br)c1 |
Nc1cccnc1S(=O)(=O)NCCc1cccc(F)c1 |
N#CC(=Cc1cc(O)c(O)c(Cl)c1)C(=O)c1ccc(F)cc1 |
CCn1cc(COc2cccc(O)c2)c2c(C[NH3+])cccc21 |
O=C(c1ccc(OC2CC([NH+]3CCCCC3)C2)cc1Cl)N1CC(O)CO1 |
CCC(C)c1cc2c(=O)c3ccc4c([O-])c5c(=O)c6c(C)ccc(=O)c-6c([O-])c5c(O)c4c3c(=O)c2c(=O)n1CC(=O)N1CC(C(=O)[O-])NC(=O)C1C |
CC(Cc1c[nH]c2ccccc12)c1c(Br)cccc1S(N)(=O)=O |
O=C(c1cc(c2ccnn2C2CCCC2)n2ccccc12)N1CCCCC1 |
Cc1cc(O)c(C(C)(C)C)cc1SC#N |
COc1cccc2c(C(=O)NCc3cccc(F)c3)cn(CCC[NH+]3C4CCC3CN(CC(=O)c3ccc(F)c(Cl)c3)C4)c12 |
CC(C)CN(CC(N)=O)S(=O)(=O)c1ccc(CC(=O)[O-])s1 |
COc1ccc([N+](=O)[O-])c(C(=O)NC2CCCN(C(=O)N(C)CC(=O)[O-])C2)c1 |
Bc1ccc(CC(=O)CCC2CCCC(c3cccc(C[NH3+])c3)CC2)c(C)c1 |
CC1CC[NH+](C(CNC(=O)c2cc(c3ccc(Cl)cc3)on2)c2ccco2)CC1 |
COc1cc(C(=O)Cc2ccc(F)c(Br)c2)ncn1 |
O=COCCc1ccc([N+](=O)[O-])cc1 |
CCC(CC)([NH2+]CC(=O)Nc1cccc(N2CCCC2=O)c1)c1ccc(Cl)cc1 |
Cc1ncsc1C(C)[NH2+]CC1(NC(=O)OC(C)(C)C)CCC1 |
Cc1nnc2ccc(C(=O)NC3CC[NH+](C4CC4)CC3)cn12 |
COCCN(CCC#N)c1nnccc1C#N |
O=C([O-])CCC(=O)N1N=C(c2ccc(Br)cc2)CC1c1ccc(F)cc1 |
O=C(C(=O)C1CCCCC1)c1ccc(OC(F)F)cc1 |
Cn1c(=O)c2c(cn(c3cnc4ccccc4c3)c2c2ccc(Cl)cc2)n(C)c1=O |
CC(O)CCCCCCCCCCCCc1cccc(S(=O)(=O)c2ccccc2)c1[O-] |
CCOC(=O)CN(C(=O)CN(C)c1ncccn1)C1CC1 |
CCc1cc2cc3c(cc2cc1CC)C1C(=O)C(=O)C3c2cc3cc(CC)c(CC)cc3cc21 |
CCOc1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCO3)cc1 |
Cc1cccc(Cn2cc3c(c2)C(=O)CCCC3)c1 |
CCc1nc(C2CN(C(=O)CNC(=O)C3CCCCC3)CCO2)n[nH]1 |
CC(C)[NH2+]CCC(=O)Nc1ccccc1OC(F)F |
COc1ccc(C(NC(=O)c2ccc(OCc3cscn3)cc2)C2CC2)cc1 |
C[NH+](C)CCCc1cccc2c1C=c1ccccc1=CO2 |
FC(F)(F)c1ccccc1c1nc2ccc(I)cc2[nH]1 |
CCCCOc1ccc(C2C(=C([O-])c3cc(OC)ccc3OC)C(=O)C(=O)N2c2cc(C)cc(C)c2)cc1 |
CCOCCOC(=O)c1ccc(N2C(=O)C(O)=C(c3ccc(OC)cc3)C2c2c[nH]c3ccccc23)cc1 |
Nc1ccc(O)cc1C(=O)Nc1cccnn1 |
COC1(C=O)CCc2c(C)cccc2C1 |
O=C(NOC(=O)C(F)(F)F)C1CC(O)(Cc2ccccc2)CCC1C(=O)N1CCN(c2ccccc2)CC1 |
Cc1cc(C(=O)N2CCCC3CCCC32)ccn1 |
CCOCCCNC(=O)N1CCCC(NC(=O)Cc2ccc(OCC)cc2)C1 |
CC(C)C(C)CCc1ccncc1 |
CCCNC(=O)c1ccc(Cl)c(NC(=O)C2CC[NH+](CC(=O)Nc3cc(C(=O)NC4CCCCC4C)ccc3C)CC2)c1 |
C[NH2+]C1CCCCCC1Sc1cnn(C)c1 |
Cc1ccccc1c1nnc(SCC(=O)NC(=O)Nc2ccccc2F)n1C |
CC(C)CC(C[NH3+])CN1CCS(=O)(=O)CC1 |
CCOC(=O)CCN(CC(C)O)C(=O)C(CC)CC |
CCC1CCCCC1C(NN)c1c(Cl)cccc1Cl |
CC(C)CC([NH2+]C(C)C1CCOC1)C(=O)N(C)C |
CCOC(=O)COc1cccc(NC(=O)c2csc(c3ccc(Cl)s3)n2)c1 |
COc1ccc(N(Cc2cccnc2)c2ccc(O[Si](C)(C)C(C)(C)C)cc2)cc1OC1CCCC1 |
COc1cc(C=C2N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)cc(Br)c1OCc1ccc(F)cc1 |
CCCN(CC(=O)OC)c1c(Br)cncc1[N+](=O)[O-] |
COc1cnc2[nH+]cc(Cl)c(N3CCC(CC[NH3+])CC3)c2c1 |
CC(CCO)CNC(=O)c1cc2cc(C(F)(F)F)ccc2n1C |
Cc1cccc(NC(=O)c2ccccc2NC(=O)CSCc2noc(C)n2)c1 |
COc1ccc(COC(c2ccc(F)cc2)C(c2cccc3cccnc23)N2CCCC2=O)cc1 |
CC(=O)c1ccc(c2nccc3[nH]c(c4n[nH]c5ccc(c6c[nH+]c(C)n6C)nc54)cc32)s1 |
N#Cc1cccc(n2c3ccccc3c3cc(c4cccc(c5ccc6c(c5)c5ccc(c7cccc8c9ccccc9sc78)cc5n6c5ccccc5)c4)ccc32)c1 |
CCCCCC([NH2+]C(O)CCCC(O)OC(C(O)OC1CC2(O)C(OC(O)c3ccccc3)C3C4(OC(C)O)COC4CC(O)C3(C)C(O)C(OC(C)O)C(C1C)C2(C)C)C([NH2+]C(O)c1ccccc1)c1ccccc1)C(C)=O |
CCC(C)C(NC(=O)C[NH3+])C(=O)NC(CC(C)C)C(=O)NC(C(=O)NC(CC(C)C)C(N)=O)C(C)O |
Cc1ccccc1c1ccc2c(c1)B1c3cccc(c4ccccc4)c3Oc3c1c(ccc3c1ccccc1C)O2 |
CC#Cc1cc2[nH]c(C3CCCN3C(=O)C(NC(=O)OC)C(C)C)nc2c2ccc(c3ccc4c(ccc5[nH]c(C6CC(COC)CN6C(=O)OC(C)(C)C)nc54)c3)cc12 |
Cc1cn(C2CC(OCCC#N)C(COP(OCCC#N)N(C(C)C)C(C)C)O2)c(=O)[nH]c1=O |
O=C(c1cccc(F)n1)N1CCCC1c1ccccc1Cl |
COCCN(C(=S)Nc1cccc(C)c1C)C1CCS(=O)(=O)C1 |
Cn1ncc2c1CCCN(C(=O)NC1CCOC1(C)C)C2 |
[NH3+]CCNC(=O)C(=O)N1CC(=O)NC(=O)C1 |
O=C(Oc1cc(Cl)c(Cl)ccc1=O)c1ccccc1 |
CC(C)Cc1coc(C2CCCN(c3ncnc4ccccc34)C2)n1 |
COc1ccc(NC(=O)N2CCCC(NC(=O)Cc3ccncc3)C2)cc1OC |
CCCCC(NC(=O)C(NC(=O)OC)C(C)C)c1[nH]c(c2ccc3c(c2)COc2cc4c(ccc5[nH]c(C6CCC(C)N6C(=O)C(NC(=O)OC)C6CC(C)OC(C)C6)nc54)cc2-3)c[nH+]1 |
CC(C)(C=O)COCOP(=O)(CCCCc1ccccc1)CC(=O)N1Cc2ccccc2CC1C(=O)[O-] |
CC(=O)Nc1ccc(c2csc(NC(=O)c3cccnc3Sc3ccccc3)n2)cc1 |
CCC1CCCCC1N1CC2(CCCC2)[NH2+]CC1CC |
O=C(CSCC(=O)N1CCOCC1)NC(c1ccc(Br)cc1)C1CCC1 |
CCc1cccc(CC)c1NC(=O)CSc1nnc(SCC(=O)Nc2c(CC)cccc2CC)s1 |
Nc1nc(NC2CC2)sc1C(=O)Nc1ccc(I)cc1Cl |
O=C(Cl)N1CCCC1C(F)(F)F |
CC(C)C[NH2+]CC(C)NCc1ccc(Br)cc1Br |
COc1cc(C=C2NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl |
CCCOc1cccc(C(Cc2ccn(C)n2)NN)c1 |
Cc1c(Cl)cccc1Nc1c[nH]c(=O)[nH]c1=O |
CCCc1ccc(N(C(=O)C(F)(F)F)C(=O)C(F)(F)F)cc1 |
C[NH+]1CCN(C(=O)C[NH+]2CCC(CC[NH3+])CC2)CC1 |
CC(C)C1CCC(=O)N(Cc2cccnc2C#N)CC1 |
CCCCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C |
CC1(C)c2ccccc2-c2ccc(c3cc(Br)ccc3c3ccccc3)cc21 |
CCC[NH+](CCC(C)(C)OC)CC1CC[NH2+]CC1 |
CCOc1ccccc1C(=O)N1CC(c2nc(C)no2)C1 |
COC(=O)c1cccc(OCC2CCCC[NH+]2C)c1N |
CC1(C)Cc2cccc(C[NH+]3CCC4(CCN(C(=O)c5c[nH]ccc5=O)CC4)CC3)c2O1 |
CCOc1nc(C(=O)NC(Cc2ccc(c3cc(Cl)ccc3F)cc2)CC([NH3+])C(=O)[O-])co1 |
COC(=O)c1cccc(NC(=O)NCC(C)(C)CCCCOc2cccc(c3ccc(c4ccc5c(c4)OCO5)cc3)n2)c1 |
CCNC(=[NH+]CC(C)(C)c1cccs1)N(C)CC(=O)NC(C)(C)C |
CCOc1cc(=O)n(C)cc1c1cc(NS(=O)(=O)CC)ccc1OC1CCC(NC(=O)[O-])CC1 |
CNc1nc(NCC(F)(F)C(F)F)nc(n2cccn2)n1 |
O=C(OC#CCCl)c1cc(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] |
C[NH2+]C1CCC([NH+](C)C2CCOC3(CCCCC3)C2)CC1 |
CC(C)n1cc(c2ccc3cc(Cc4cc(F)cc(F)c4)ncc3c2F)c2c(N)ncnc21 |
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