smiles stringlengths 6 131 |
|---|
Cc1cc(O)nnc1C(=O)N[C@@H](C)CNC(=O)Cc1cn2cccc(C)c2n1 |
C=C1CCN(C(=O)CN=c2cc[nH]cc2)[C@@H](C(=O)N2C[C@H]3COC[C@H]3O2)C1 |
O=C(c1cn[nH]c1)N1C[C@@H]2CC[C@H]([C@@H]1CO)N2C(=O)c1cc(Cl)cc([N+](=O)[O-])c1 |
C=Cc1ccc(CNC(=O)c2n[nH]cc2NC(=O)c2csc(C(F)(F)F)n2)cc1 |
O=C(c1cnc(Cl)c2ccsc12)N1CC[C@@H](c2cn(CC3CC3)nn2)C1 |
C[C@@H](NC(=O)C(C)(C)CCCNC(=O)[C@H]1CCCCN1C)c1ccns1 |
C[C@@H](CNC(=O)/C=C/C(C)(C)NC(=O)[C@H](CO)C(C)(C)C)N1CCOCC1 |
CCCSCCC(=O)NC[C@H](CCC)C(=O)N[C@H](C)c1nccn1CC |
O=C(CCC1OCCO1)N1CCCC[C@@H]2[C@H](NC(=O)C34CC(CC(F)F)(C3)C4)[C@H]21 |
C[C@H](C(=O)NCC1CN(C(=O)c2ncccc2S(=O)(=O)N(C)C)C1)C1CC1 |
Cc1cc(C(=O)N[C@H]2[C@H]3C[C@H](CN(C(=O)[C@@]4(C)CCCS4)C3)[C@H]2CO)sc1C |
C[C@@H](CNC(=O)[C@@H](O)Cc1c(F)cccc1Cl)NC(=O)c1cc2ncccc2o1 |
C#CC[C@H](O)C(=O)N1CCc2sccc2[C@@H]1CNC(=O)c1cnnc(C)c1 |
CCC(CC)(CNC(=O)Cn1ccc(C)n1)NC(=O)C=Cc1ncc(C)[nH]1 |
CC(C)(C)c1ncc([C@@H](NC[C@H]2COCC2(C)C)c2nnnn2C(C)(C)C)[nH]1 |
CC(C)NC(=O)C1CCN(C(=O)N[C@@H]2CCC3(CCC3)C2)CC1 |
CCc1cc(C(=O)NC[C@@H](NC(=O)c2[nH]ccc2C2CC2)C(C)C)no1 |
CC(C)(C)OC(=O)N1CC2(CC(C(=O)N3C[C@H](NC(=O)C(N)=O)[C@@H]4C[C@@H]43)C2)C1 |
Cc1cc(C(=O)N[C@@H]2C[C@H](CNC(=O)c3cc4c(cc3N)CCC4)C2(C)C)cs1 |
C[C@H](NC(=O)c1cccnn1)C1CN(C(=O)C2CC3(C2)CC3(F)F)C1 |
CCC[C@@H](C)C(=O)N1CCC(N(C)C(=O)C(C)=Cc2ccncc2)CC1 |
Cc1cccnc1CC(=O)NCC#CCNC(=O)Cc1cc(Cl)ccc1Cl |
C[C@H]1CC[C@H](C(=O)NCCOc2ccncc2)N(C(=O)CC2CCCCC2)C1 |
O=C(CCOc1ccccc1Br)N1CC[C@@]2(C1)OCc1ccccc12 |
CCN(C(=O)c1ccc(Cl)cc1O)[C@H](C)CNC(=O)[C@@H](O)Cn1cncn1 |
CC(=O)NCC(=O)N(C)C[C@@H](O)CN(C)C(=O)CN1CCC[C@@H]1C |
O=C(CCc1csnn1)NCC1(O)CC(C(=O)N2CCS(=O)(=O)CC2)C1 |
Cc1ccn(CC(=O)NC[C@@H](C)CN(C)C(=O)C2=COCC2)n1 |
CC[C@H](CC(=O)NC[C@@H]1CCC[C@H]1NC(=O)c1cc(COC)no1)C(C)C |
C[C@H](CNC(=O)C1=C[C@@H]2CCCC[C@H]12)NC(=O)[C@@H]1CN2CCC1CC2 |
CC1=CC[C@@H](C(=O)N[C@@H](COC(C)C)C(=O)N2CCC3(CCCC3)C2)CC1 |
CCOC(C)(C)C(=O)N1CC=C[C@H](NC(=O)[C@@H]2CCCN2CC(F)(F)F)C1 |
CC[C@@H](CN(C)C(=O)Cc1cc(F)ccc1Cl)NC(=O)CN1C(=O)CCC1=O |
CCc1ccc(C(=O)NC[C@H]2C[C@H]2NC(=O)[C@H]2OC(C)(C)OC2(C)C)[nH]1 |
Cc1occc1C(=O)N1[C@H](CNC(=O)CCc2cnoc2)C[C@@H]2CCC[C@@H]21 |
CC[C@](C)(CO)CNC(=O)c1nn(-c2ccc(Cl)cc2F)c2c1CCC2 |
C[C@]1(CC(=O)NOCC=CCl)CCN(C(=O)c2csc(=N)[nH]2)C1 |
COC(=O)[C@H](N[C@H](C)[C@H]1CCCC(F)(F)C1)c1cc(F)cc(F)c1 |
CCN(CC(N)=O)C(=O)[C@@H](C)CN(C)C(=O)c1cn(C)nc1C |
Cc1ccnc(NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2Br)c1C1CC1 |
C=C(C)[C@H](CC(=O)NN=c1nc(Br)[nH]n1C)OCC |
Cc1ccc(CN[C@@H](c2sc(=O)n(C)c2Cl)c2nnnn2CC2CC2)o1 |
CC(C)(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1C1CCC1)NC(=O)c1cnc(N)c(N)c1 |
O=C(C[C@H]1CCCC12CC2)NCCC1(O)CN(C(=O)CNc2nccs2)C1 |
CCC[C@@H](NC(C)=O)C(=O)N1C[C@H]2C[C@H]1[C@H]2C(=O)Nc1ncsc1C(=O)OC |
CC(C)n1cc(CC(=O)N2CC[C@@H]2CNC(=O)[C@H]2CCc3c(cnn3C)C2)cn1 |
N#CC1(C(=O)NC[C@]2(F)CCCN(Cc3c[nH]c4c(F)cccc34)C2)CCC1 |
O=C(CCc1ccccc1)Nc1cncc(C(=O)N2[C@H]3COC[C@H]2CC(F)C3)c1 |
COC(=O)C(C)(C)ONC(=O)[C@@H](NC(=O)CO[C@@H]1CCOC1)[C@@H](C)OC |
CO[C@@H](C)CC(=O)N1CCC[C@@H]1C(C)(C)NC(=O)COCc1scnc1C |
C#Cc1cc(C(=O)N[C@@H](C)[C@@H](NC(=O)C(C)=C(C)C)C(C)C)ccc1C |
C=CCCCCn1cc(CCNC(=O)C2(NC(C)=O)CCCCC2)nn1 |
CCC[C@H](NCc1ccn(-c2ccccc2)n1)c1nnnn1C1CCC1 |
COc1ccc(C(=O)NC[C@@H]2CCC23CN(C(=O)c2cc(N)ccc2C)C3)nn1 |
C#CC[C@]1(O)C[C@@H](C(=O)N[C@H]2CC[C@H]2NC(=O)c2ncccc2CC)C1 |
C[C@H](NC(=O)[C@@H]1C[C@@H]1NC(=O)c1cc(O)cc(C(F)(F)F)c1)C(F)(F)F |
Cc1nc(C(=O)N2C[C@@]3(NC(=O)[C@H]4CCc5nnc(O)cc5C4)CC[C@H]2C3)cs1 |
Cc1ccnn1CC(=O)N1CCN(C(=O)[C@H](C)c2ccnn2C)[C@H](CF)C1 |
CC(C)(CCNC(=O)C1[C@H]2CCC[C@H]12)NC(=O)c1cc(Cl)ccc1Cl |
Cc1nc(CCN(C)C(=O)[C@@H](F)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)no1 |
CSC(C)(C)C(=O)N1C[C@H](C)[C@H](NC(=O)COc2ccc(C(F)(F)F)cc2)C1 |
C[C@@H]1CC=CC[C@H]1C(=O)N1CCC(C2(NC(=O)CCCCC3CC3)CCC2)CC1 |
Cc1ccc(C)c(OCC(=O)N[C@H]2C[C@H]2NC(=O)[C@H]2C[C@@H]3C[C@@H]3C2)c1 |
CCN(C(=O)CC1(Nc2ccnc(C3CC3)n2)CCC1)C1(C(N)=O)CCNCC1 |
Cc1nc(CO)oc1C(=O)NC[C@@H](CO)NC(=O)c1ccccc1CO |
Cc1nn(C)c(Br)c1C(=O)N[C@H](CCNC(=O)C[C@@H](C)CC(C)C)C(C)C |
CCCCC(C)(C)NC(=O)[C@]1(NC(=O)C2CCCC2)CCC[C@@H]1C |
C[C@@H](CNC(=O)Cc1cocn1)NC(=O)C#C[C@H]1CCOC1 |
CCCOc1cccc(-c2noc([C@H]3COc4ccc(Cl)cc4C3)n2)c1 |
CC[C@H](O)C(C)(C)C(=O)NCCN(C[C@@H](C)O)C(=O)c1ccn2c1CSCC2 |
CC#CCCC(=O)N1CCCCC[C@H]1CNC(=O)[C@H]1CCc2ncncc2C1 |
CN1[C@H]2CC[C@H]1CN([C@@H](C(=O)NC1CC1)C1CCC(C(F)(F)F)CC1)C2 |
C=Cn1nccc1C(=O)NCC12CC(CN1C(=O)C(C)=Cc1ccco1)C2 |
Cc1[nH]nc2c1CC[C@H](C(=O)N(CCNC(=O)C(C)(C)CF)C[C@H](C)O)C2 |
C[C@H]1C[C@@H](C)C[C@H](C(=O)NCC2(F)CCN(C(=O)Cn3cn[nH]c3=N)CC2)C1 |
CN(C)[C@@H](C(=O)NCCNC(=O)CCCCC(F)(F)F)c1cccnc1 |
C[C@H]1CCOCC[C@]1(NCC1=CCCCC1)c1nnnn1C(C)(C)C |
CC1CCC(F)(C(=O)N2CCC[C@H](N(C)C(=O)c3cc([N+](=O)[O-])nn3C)C2)CC1 |
CC[C@@H](C)NC(=O)CCNC(=O)C[C@@H](C)N(C)C(=O)CCCCN(C)C |
CN(CCO)CCC(=O)N1C[C@@H](C(=O)N(C)C[C@H](O)C2CC2)CC1(C)C |
CC(C)C[C@](C)(O)C(=O)NC1CC([C@H](F)C(=O)N2[C@H](CO)C[C@H]2C)C1 |
C[C@@H]1CCC[C@@H](CC(=O)N2CCOC3(C2)CN(C(=O)[C@H]2CCCNS2(=O)=O)C3)C1 |
CC1=CCN(C(=O)[C@H](NC(=O)[C@H](F)C[C@H]2CCOC2)c2ccnn2C)CC1 |
CC[C@@H](CN(CC)C(=O)C=C1CCN(C)C1)NC(=O)c1[nH]c(C)c(C(C)=O)c1C |
CN(C)CC1CC(C(=O)N2CC[C@@H]3[C@@H](NC(=O)CCCn4cccn4)[C@@H]32)C1 |
COCC[C@]1(NC(=O)CCCS(C)(=O)=O)CCN(C(=O)[C@@]2(C)C[C@@H]3C[C@@H]3C2)C1 |
COc1cc(C(=O)N[C@H]2CN(C(=O)C(F)(F)CO)CC[C@H]2C(F)(F)F)nn1C |
COc1cc(C(=O)N2CC(C(C)(C)F)C2)cc2nc(O)[nH]c12 |
CN(CC1(c2cccc(Cl)c2)CC1)C(=O)[C@@H]1CC(=O)N(c2cn[nH]c2)C1 |
O=C(COCCF)NC[C@H]1CC[C@H](NC(=O)C2CN(C3CCCCC3)C2)CC1 |
C=CC[C@H](C(=O)N1C[C@@H](C)[C@@H](NC(=O)c2ccnn2C(F)F)C1)c1ccccc1 |
CN(CC(Cl)Cl)S(=O)(=O)[C@@H]1CCC12CN(C(=O)OC(C)(C)C)C2 |
O=C(NC[C@@H]1CN(C(=O)c2cnco2)CCO1)c1cc(Br)cnc1F |
CC(=O)c1cc(C(=O)N2C[C@H](NC(=O)C[C@@]3(O)CCCN(C)C3)C3(CC3)C2)no1 |
CCc1cc(C)c(C(=O)NC2CN(C(=O)c3oc4ccccc4c3CSC)C2)o1 |
CN1CCN(C)[C@@H](C(=O)NCC[C@@H]2CN(C(=O)[C@H]3[C@H]4CCC(F)(F)[C@@H]34)CCO2)C1 |
C=C(C)CNC(=O)[C@H](c1cccc(C)c1Br)N(C)c1ccc2c(c1)OC(F)(F)O2 |
Cc1occc1CC(=O)N1CC[C@@H]2C[C@]2(C(=O)NCc2ccc(C#N)cn2)CC1 |
O=C(N[C@H]1CN(C(=O)C=C[C@@H]2CCOC2)CC(F)(F)C1)[C@@H]1CCC[C@H](O)C1 |
CCN(CCN(CC)C(=O)[C@@H](C)N1CCNC1=O)C(=O)[C@H]1CCC(=O)C1 |
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