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smiles
stringlengths 18
55
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|---|
COC(=O)NCCC(=O)Nc1c(OC)ccc(Br)c1F |
NC1CCCCC1NC(=O)Cn1ncc2ncccc21 |
CCC(C(=O)N1CCC(C(=O)OC)(C(F)F)CC1)C(C)O |
CC(C)CC(C)N(C)C(=O)COC(=O)C1(C)CC(=O)C1 |
CNC(=O)C1(NCc2ccc(Cl)s2)CCOCC1 |
CC(C)(C(=O)NCC12COC(CF)(C1)C2)C1CCCCN1 |
COC(=O)c1c(NC(=O)Cc2conc2C)c(C)nn1C |
Cc1ccn(C)c(=O)c1NC(=O)NC(C)c1cnc(Cl)s1 |
CCc1ncoc1C(=O)N1CC2CCOC2(COC)C1 |
COc1ccc(C(C)NC(=O)OCC2CC2)cc1C(=O)O |
Cn1cc(-c2cnc(N)cc2N2CCOCC2)ccc1=O |
CC1Cc2c(Cl)cccc2C1NC(=O)NCC(=O)N(C)C |
O=C1CC2(CCN(C(=O)C3CCNC34CCC4)C2)CN1 |
Cc1csc(C2C(C(=O)N3CNC(=O)C3)C2(C)C)n1 |
CC1CN(C)CCN1C(=O)C(O)(C(C)C)C(F)(F)F |
CC1(C(=O)OCC2CC3C(C2)C3(F)F)CCC(=O)CC1 |
O=C1COCCN1CC(=O)N1CCc2ccc(F)cc21 |
CC(C)(C)OCc1cc(CNS(=O)(=O)C2CCC2)no1 |
O=C(NCc1n[nH]c(Br)n1)C1NCCc2ccccc21 |
CC(CC(=O)O)CC(=O)N(C)C1CCCC1S(C)(=O)=O |
CCN(Cc1ccccc1)S(=O)(=O)NCc1nonc1C |
CCc1ocnc1C(=O)N(C)C(C)CS(=O)(=O)CC |
CC(=O)Nc1ccc(NCc2nc(C)cn2C)cc1C |
CN1C(=O)CC(C(=O)NN2CCOCC2)c2ccccc21 |
COCCC1(S(=O)(=O)N2CC(O)C(O)CC3(CC3)C2)CC1 |
COC(=O)c1ccc2nc(NC3COC(=O)C3)oc2c1 |
CCC(CCO)CNC(=O)c1nc2nc(C)cc(C)n2n1 |
CNCC1CN(CC(=O)c2cncc(OC)c2)CC12CC2 |
CCOc1ccc(NC(=O)C(C)(O)C(F)(F)F)cc1 |
COC(CNC(=O)C1CCCn2nccc21)CSC |
CC(C)(CO)CNc1cccc(Oc2ncccn2)c1 |
CC(=O)N(C)C(C)CN(C)C(=O)C(C)(C)C(C)(C)C |
CCC1CCCCC1NC(=O)NCc1cnn(CCO)c1 |
CC(CCNC(=O)c1cccn1C1CCNCC1)N(C)C |
CCC(F)(F)CCNC(=O)c1cnc(C2CCOC2)s1 |
CCc1nc2c(s1)CN(C(=O)CCOC1CCCC1)CC2 |
CN(CC1CCCCN1)C(=O)Cn1nnc2ccccc21 |
O=C(NC1CCCC1(F)F)C1CCCC12CCOCC2 |
CC(C)CNC(=O)CCNc1ncccc1-c1cc[nH]n1 |
COC(=O)C1CC1CNC(=O)c1ccc(Cl)cc1Br |
CN1CC2(CN(C(=O)C3CCC(=O)N3)C2)C(F)(F)C1=O |
Cc1ccc(C(=O)NC2CCONC2)cc1Br |
O=C(CCC1CCCC(O)C1)N1CCCn2nncc2C1 |
CCCCC1CCCC1NS(=O)(=O)N1CCC(C#N)CC1 |
O=C(NC(CO)C1CC(F)(F)C1)C(F)(F)OC(F)(F)F |
CN(C)CC(C)(C)CN(C)C(=O)C1CC12CCC(N)CC2 |
CCC1COC(C)(C)CN1C(=O)C1CC2(CCC2O)C1 |
CC(O)CCNC(=O)CC(c1ccc(O)cc1)C1CC1 |
Cc1cnn(C2CCN(C(=O)c3ncc(F)cn3)C2)c1 |
CCc1ccc(S(=O)(=O)NC(C)(C)c2nccs2)o1 |
O=C1NCC2(CCN(C3CC3c3ccccc3)CC2)N1 |
Cc1cc(NC(=O)N2CCC(O)CC2CO)c(Cl)cc1F |
CS(=O)(=NC(=O)C(F)(F)C1(O)CCC1)c1ccccn1 |
O=C(NCc1cc2n(n1)CCCO2)C12CCC(F)(CC1)C2 |
Cc1ccc(CC(=O)NCC(F)(F)CO)c(Br)c1 |
CCC(C)N1CCC(CNc2ccnc(C(N)=O)c2)C1 |
CC1(CNC(=O)c2n[nH]c(=O)[nH]2)CC1c1ccccc1 |
CCc1conc1CSc1[nH]c(=O)nc(C)c1C(=O)OC |
CC(NC1CC1)C(=O)N1CCCc2oc(Br)cc2C1 |
Fc1ccc(F)c(CNC2(C3CCCO3)CCOCC2)c1 |
COc1cc(Br)ccc1NC(=O)C1CN(C(C)=O)C1 |
COC(=O)C1CC(N2CCc3c(Br)cccc3C2)C1 |
CNC(=O)CSC1CN(C(=O)OC(C)(C)C)C(C)(C)C1=O |
CCOC(=O)NC1CCC(NC(C)CCCN)CC1 |
CSCC(C)(C)NC(=O)C12CCCN(CC1)S2(=O)=O |
O=C(O)C1CN(C(=O)C2C3CCCOC32)CC1(F)F |
Cc1ccc(CN(CCO)CC2CCC3(CCC3)O2)o1 |
CCCC(O)C(=O)Nc1ccc2oc(COC)nc2c1 |
Cc1c(C(=O)N2CC(O)(C3CCC3)C2)cc(C2CC2)n1C |
Cc1nc(CO)sc1C(=O)N1CC(C)CCC1C(=O)O |
CC(=O)c1cc(Br)cnc1NC(=O)C1CCCC(=O)C1 |
CNc1cnc(C(C)C)nc1C(=O)N1C2CCCC1C2 |
Cn1ccc(CC(=O)N2CCn3c(nnc3C3CC3)C2)n1 |
CC(C)OC1(C(=O)N2CC(Nc3ncccn3)C2)CCC1 |
CC(C)n1ncnc1Cn1cc(C2CCNCC2)nn1 |
CCN1CCC(NC(COC)C(=O)OC(C)(C)C)C1=O |
Cc1ccccc1C1CCN(C(=O)Cn2cc(N)cn2)C1 |
OCC1CCN(CC(O)COc2ccc(F)cc2)CCO1 |
CC(CC(O)c1cccs1)NC(=O)CCCn1cncn1 |
CCn1ncnc1C(C)NC(=O)C1(CC(=O)O)CCCC1 |
Cc1nc(Cl)cc(NC(=O)N2CCC3(COC(=O)N3)C2)n1 |
CN(CCNc1ccncc1CO)Cc1ccccc1 |
CC(C)n1cncc1CNc1cc(CN(C)C)ccn1 |
Cc1ncc(CC(=O)N2CCCCC2C2CCOCC2)o1 |
CC(C)COC(=O)N1CCN(c2nnc(C3CC3)s2)CC1 |
CSC(C(=O)OC1CNC(=O)CC1(C)C)c1ccccc1 |
Cc1ccccc1CCN(C)C(=O)C1COCCN1C |
COCCC(COC)NC(=O)N1CC(C)C(CCN)C1 |
COCC1CCC(NC2CN(C)C3(CCCC3)C2)CC1 |
CC(C)(C)CC(O)CC(=O)OCc1conc1Br |
CCn1cnnc1CNS(=O)(=O)N(C)CC1CC1 |
CC(C)(C)CCNC(=O)c1ncc(C(N)=O)cc1Cl |
CNC(=O)c1cccc(CN(CC(=O)O)C2CCCC2)c1 |
CC(F)(F)CCCS(=O)(=O)NC(=O)C1C2COCC21 |
CN(CCc1ccc(F)cc1)Cc1nc(C2CC2)nn1C |
CCn1nnc(C)c1COC(=O)c1cncnc1C1CC1 |
CC(C(=O)N1CCN(CCF)CC1)c1cccc(C#N)c1 |
CC(C)CCC(N)C(=O)Nc1ccc2c(c1)CC(N)C2 |
CC(C)C(OC(=O)CS(=O)(=O)C1CC1)c1nccn1C |
Cc1ncc(C(=O)O)cc1C(=O)NC(C)C12CC(C1)C2 |
Subsets and Splits