smiles stringlengths 6 131 |
|---|
CC[C@@H](C(=O)N(C)C1CN(C(=O)[C@@H](CC)SC)C1)C(F)(F)F |
Cc1cc(C(=O)N2CC(NC(=O)[C@@H]3CCCCC(=O)N3)C2)ccc1C(C)C |
CON(CC1CC1)C(=O)[C@@H](F)C1CC(NC(=O)c2cc(C)sc2C)C1 |
CN(C(=O)CCC1CCCC1)[C@H]1CN(C(=O)c2ccc(CO)o2)CC12CC2 |
CC[C@H](CC(=O)N[C@H]1C[C@@H](CNC(=O)C2(n3cccn3)CC2)C1)CC(F)(F)F |
CC[C@H](N=c1[nH]c(=NCc2ncc(C)cn2)[nH]c2c1SCC2)C1CCCCCC1 |
CC(C)(O)CCNC(=O)[C@@]1(F)CCN(C(=O)CC[C@H]2CCC(=O)C2)C1 |
CCc1conc1CC(=O)N(CCC(=O)N1C[C@H]2CC[C@H]1[C@H](O)C2)C(C)C |
CN1CCC(C)(C(=O)N2CC[C@@H]3C[C@@H](NC(=O)C4=COCCC4)CC[C@@H]3C2)CC1 |
O=C1C[C@@H](C(=O)N2CC[C@H](F)C[C@@H]2C(=O)N2CCCC3(CC3)C2)CCN1 |
COc1ccc(NC(=O)[C@@](F)(CNC(=O)C2(NC(N)=O)CC2)C(C)C)c(C)n1 |
CS[C@H](C)C(=O)N1CCCC2(CC(NC(=O)c3c(C)[nH]c4ccc(F)cc34)C2)C1 |
CC[C@H](C)NC(=O)[C@@H](CC1CCC1)N1CC(=O)NCC12CC2 |
Cc1cnc(C(=O)N2CC[C@@H]3CN(C(=O)c4ccc(Cl)c(Cl)n4)C[C@@H]3C2)cc1Br |
CC[C@H](O)c1cn(CCC(F)(F)C(=O)N[C@H](c2ccccn2)C(F)F)nn1 |
CCOC(=O)C1(C(=O)N[C@@H](C)CN(C)C(=O)CN2C[C@H]3C=C[C@H]2C3)CC1 |
O=C(N[C@H]1CCN(C(=O)C#C[C@@H]2CCCO2)C12CC2)c1cccc(OCCF)c1 |
C[C@H]1CCO[C@@H]1CC(=O)NC(C)(C)CNC(=O)c1cccc(Cn2ccnn2)c1 |
C[C@H](CC(=O)N(C)CC1(CNC(=O)c2ccc([N+](=O)[O-])[nH]2)CC1)[C@@H]1CCCO1 |
C#C[C@H](NC(=O)[C@@H](C(C)C)[C@@H](C)NC(=O)CN1CC(C)(C)C1)C(C)(C)C |
CCOC(=O)N1CC[C@H](Nc2nccc(=NCCCc3cccc(OC)c3)[nH]2)C1 |
C=CC[C@H](CNC(=O)c1cn2cc(Cl)cnc2n1)NC(=O)c1c(Cl)nn(C)c1C |
CC(C)(C)OC(=O)CC(=O)NC[C@@H]1C[C@H]1NC(=O)C#CC1CC(F)(F)C1 |
C#C[C@]1(C(=O)N[C@H](CO)CN(C)C)CCN(C(=O)[C@@H](F)CCCCC)C1 |
Cc1c(-c2noc(-c3c(F)c(F)c(I)c(F)c3F)n2)nn(-c2ccccc2)c1N |
Cc1cc(C(=O)N[C@H]2CCCN(C(=O)C=Cc3ccccc3C)C2)cnn1 |
COC(=O)c1cnccc1C(=O)N1CCC[C@@H](CNC(=O)[C@]23C[C@@H](C)[C@H]2C3)CC1 |
Cc1nc(N2CCN(CC(=O)Nc3cccc(O)c3Br)CC2)c2sccc2n1 |
CCCC[C@@H](CNC(=O)[C@]1(C(C)C)CCCO1)NC(=O)c1cn(C)cn1 |
O=C(Cc1ccc(Cl)s1)NC12CC(NC(=O)c3ccccc3-c3cnco3)(C1)C2 |
O=C(NC12CC(C(=O)NC[C@@H]3CC[C@@H](O)C3)(C1)C2)[C@H]1CC(c2ccccc2)=NO1 |
CN(C(=O)c1cc2cccnc2o1)[C@@H]1CC[C@H](NC(=O)Cc2ccsc2)C1 |
Cn1cc(CN2C[C@@H](O)[C@H](NC(=O)c3ccc(-n4cnnn4)cc3)C2)nn1 |
Cc1cnn(C[C@@H](C)NC(=O)[C@@H]2CCN2C(=O)[C@H](C)C(F)(F)F)c1 |
COCc1ccc(C(=O)NC[C@](C)(NC(=O)[C@@H]2CCN(C3CC3)C2=O)C2CC2)o1 |
C#CCCO[C@@H](C)C(=O)N[C@H]1C[C@H]1NC(=O)CCSc1nnnn1C |
C=CCNC(=O)[C@@H](c1cccc(Br)n1)N1CCN(Cc2ccccc2)C[C@H]1CC |
Cc1cc(C)c(C(=O)N[C@H](CN(C)C)C(=O)N2CCO[C@H](C)[C@H]2C)cn1 |
CSc1ccc([C@@H](C(=O)Nc2ccc(Cl)cc2F)N(C)[C@@H]2CCC(=O)N(C)C2)o1 |
CC1=CC=C(C(=O)N[C@@H]2C[C@H]2CNC(=O)CSCCC(F)(F)F)C2=CC=CN=C12 |
C[C@H](C(=O)NCC1=CCN(c2nc3cccc(Br)c3o2)CC1)N1CCC(O)CC1 |
C[C@H]1CCO[C@H](C(=O)N2CCC([C@@H](C)CNC(=O)C3=NN(C)C(=O)CC3)CC2)C1 |
CCn1cnc2c(N3C[C@@H]4C[C@H]3C[S@]4=O)nc(N3CC[C@@H](C(F)F)C3)nc21 |
O=C(CCOCC1CC1)N[C@H]1CC[C@H](NC(=O)C23CC(C2)C3)CC1 |
COCc1sccc1C(=O)NCC1(CO)CCN(C(=O)[C@@H](C)n2cccn2)CC1 |
Cc1ccc(-c2c[nH]c(=NCc3cc(Cl)cc(Br)c3)c(C)c2)o1 |
CN(C)Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3ncc(Cl)cc3Cl)C23CC3)no1 |
COC1(CC(=O)N2CCC(CNC(=O)C=CC3CCCC3)(C3CCC3)CC2)CC1 |
C=C1C[C@@H]1C(=O)NCCCCCNC(=O)C(C)(C)CCC#N |
CC(=O)Nc1ccc(C(=O)Nc2nc(-c3c(F)cc(F)cc3F)c(C)s2)cc1Cl |
CN1CC(CCN(C)c2nc(=NCC3(N4CCCC4)CCC3)[nH]c3c2SCC3)C1 |
CCN(CC)CCC(=O)NC[C@H]1[C@@H](C)CCCN1C(=O)COCCC(C)C |
O=C(Cc1cnccn1)NCc1csc(CNC(=O)[C@H]2CCCc3scnc32)n1 |
C[C@@H]1CCCCCN1S(=O)(=O)c1[nH]c(=N[C@H](CCO)c2ccncc2)ccc1Br |
Cc1nc(C(=O)N[C@@H](C)C2(O)CN(C(=O)CC3(C)CCC3)C2)n(C)n1 |
CCCCNC(=O)[C@H](c1cc(C#N)n(C)c1)N(Cc1cccc(F)c1)C(C)C |
C[C@H]1CO[C@@H](C(=O)N2CC(CNC(=O)[C@H]3C[C@@](F)(CO)C3)(C(N)=O)C2)C1 |
COC(=O)[C@@]12C[C@@H]1CN(C(=O)C1(C3CC3)CN(C(=O)c3cnn(C)c3OC)C1)C2 |
CC1(C(=O)N2C[C@@H](NC(=O)c3c(F)ccc(F)c3N)C[C@@H](O)C2)CC(F)(F)C1 |
CCC(C)=C(C)C(=O)N[C@H]1C[C@@H]2CN(C(=O)C3(F)CCC(=O)CC3)C[C@@H]2C1 |
COc1c(Cl)cc(C(=O)N2CC=C[C@H](NC(=O)CC3(OC)CCC3)C2)nc1Cl |
Cc1c(C(=O)N[C@@H]2CC[C@H]2CNC(=O)CC2(CO)CC2)cccc1S(N)(=O)=O |
Cc1ncc(C(=O)N2C[C@@H]3C[C@@H]3[C@@H](NC(=O)c3cc(C4(C)CC4)on3)C2)s1 |
COCc1ncc(C(=O)NCC2(F)CN(C(=O)[C@@]3(C)CCNC(=O)C3)C2)s1 |
CN(CC1CCN(C(=O)c2ccc(O)nn2)CC1)C(=O)c1cc2scc(Cl)c2[nH]1 |
Cc1cc(C(=O)N[C@@H]2CCN(C(=O)c3c[nH]nc3Br)C2)nn1C1CC1 |
CC[C@@]1(NC(=O)c2cc3ccc(OC)nc3[nH]2)CCCN(C(=O)C(C)(C)CF)C1 |
C=C1CC(CNC(=O)c2ccc(NC)cc2)(C(=O)N2CC3(CCCCCC3)C2)C1 |
CCO[C@@H](C(=O)NCC(=O)N1CCN(C(=O)c2sccc2C)CC1)[C@H]1CCOC1 |
C#CC[C@]1(C(=O)NC[C@@H]2CN(C)CCN2C(=O)c2cnc(NC)cn2)CCCO1 |
CCC(=O)NCC(=O)N[C@@H](C)C[C@H](C)NC(=O)Cc1cc(C(F)(F)F)c(O)nn1 |
CC1(C)C[C@@H](C(=O)N[C@@H]2CC23CC(NC(=O)CCc2nccs2)C3)CNC1=O |
CC[C@](C)(CCC(C)C)C(=O)N[C@@H](CNC(=O)COC(F)(F)F)C(C)(C)C |
C[C@H](NC(=O)[C@H](Cc1ccoc1)NC(=O)[C@H](F)C(C)(F)F)c1ncccn1 |
Cc1cn2c(n1)C[C@H](C(=O)N[C@@H](C)CN(C)C(=O)C1(C)CC(F)C1)CC2 |
C[C@@H](CC1CC1)C(=O)N1CC[C@H](C(=O)N2CCC(F)(F)[C@@H](F)C2)[C@H](C)C1 |
CN(C(=O)[C@@H]1CCCCN(C(=O)CC2(C)CCCCC2)C1)c1cccn(C)c1=O |
CSCC1(CC(=O)N2CC[C@@H](NC(=O)c3ncc(F)cn3)[C@@H]2C(C)(C)C)CC1 |
O=C(N[C@@H]1[C@@H]2CN(C(=O)c3nccnc3Cl)C[C@@H]21)c1cnn2cccc(F)c12 |
Cc1ccc(CCC(=O)N2CCC[C@@H](CCNC(=O)CCc3ccoc3)C2)o1 |
CC(=O)CCCC(=O)N1C[C@@H](NC(=O)C2C(C)(C)CCCC2(C)C)CC[C@H]1C |
C[C@]1(NC(=O)Cc2cccc3cnccc23)CCCN(C(=O)C2CC(=O)C2)C1 |
CCCCn1nnnc1CSCC(=O)N[C@@H](c1ccccc1)C1CC1 |
CCC[C@@H](CCO)CNC(=O)c1ccc(S(N)(=O)=O)cn1 |
CC(C)C[C@@H](C(=O)NC1(C)CC(F)C1)N(C)C(=O)c1ccc(CF)cc1 |
COc1ccc(SCCCC(=O)NCC2CN(C(=O)[C@H]3CC(=O)N(C)C3)C2)cc1 |
COc1cc(C(=O)Nc2cnc(Cl)cc2C(=O)N2CCC(C)(O)CC2)ccc1Br |
O=C(N[C@H]1CN(C(=O)C2CC(F)(F)C2)CC2(CC2)C1)c1ccnc2ccsc12 |
C[C@@](CNC(=O)C1=C(Cl)CCOC1)(NC(=O)[C@H]1CCCc2nn[nH]c21)C1CC1 |
C=CCC1(NC(=O)[C@H]2CN(C(=O)[C@H]3C[C@@H]3C3(C)COC3)CCC2(C)C)CC=CC1 |
C=C(C)CCCC(=O)NC1[C@@H]2CCN(C(=O)c3cccc(NC(N)=O)c3)CC[C@@H]12 |
CC=CCCC(=O)N1C[C@H]2CC[C@@](C(=O)NCc3cc(C)cc(C)n3)(C2)C1 |
CC1(C)CC[C@H](C(=O)N2[C@H](CNC(=O)CCc3cnco3)C[C@@H]3C[C@@H]32)C1 |
CCC=C(CCC)C(=O)N1CC2(CCN(C(=O)[C@](C)(O)C3CC3)CC2)C[C@@H]1C |
CCN(CCNC(=O)[C@H]1CCCC(F)(F)C1)C(=O)c1ccnc(C)c1Cl |
O=C(N[C@@H]1CCCN(C(=O)c2noc3c2COCC3)C1)c1ccnc2c1CCO2 |
CCc1cc(C)c(C(=O)NCc2csc(C(=O)N3CCC[C@H](C)[C@@H]3CCO)c2)o1 |
Cc1ccc(C(=O)N2[C@@H]3CN(C(=O)[C@]45CCC(=O)N4CCS5)C[C@@H]3C[C@H]2C)cn1 |
CCN(C[C@@H](C)NC(=O)CN1CC[C@H](C)C1)C(=O)CC1CC(C)(C)C1 |
CCc1nc[nH]c1C(=O)NC1CCC(NC(=O)C2(C)SCCCS2)CC1 |
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