smiles
stringlengths 6
131
|
|---|
O=C(CC[C@@H]1CCCN1c1nccc(Br)n1)Nc1cnoc1
|
COCC=CC(=O)N1CC[C@H](CNC(=O)CC2C[C@@H]3C[C@H]3C2)[C@@H](C)C1
|
CN1CC[C@@H](C(=O)N[C@@H]2CCC[C@H](CC(=O)NC3(C)CCC4(CC4)CC3)C2)C1
|
CCC[C@@H](CC)C(=O)N[C@H](C)CNC(=O)c1ccncc1C(=O)OC
|
C=CC1CN(C(=O)c2conc2CNC(=O)CCCC(=O)C2CC2)C1
|
CN1CC(CC(=O)N2CCN(C(=O)c3cc(-c4ccccc4)[nH]n3)[C@@H](CO)C2)C1
|
CC=CC(=O)NC[C@H]1CC(C)(C)CN1C(=O)CC12C[C@H]3C[C@@H](CC(F)(C3)C1)C2
|
CCNC(=O)CCN=c1[nH]c(=NC2CC[C@@H]3[C@@H](CC2)C3(F)F)[nH]c2c1SCC2
|
CCCS(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)CN(C)C(=O)CCCC(=O)OC
|
O=C(CCCc1cnn[nH]1)NCC1(N=c2[nH]cnc3cnccc23)CCCC1
|
C=C=CCC(=O)NCC[C@H](C)CCNC(=O)[C@H]1Cc2ccccc2C1(C)C
|
C=CCCCN(C)C(=O)[C@@H](CCC1CCC1)NC(=O)[C@H](C)c1ccsc1
|
CC[C@H](C)CNc1ccc(S(=O)(=O)N[C@H](CS(C)(=O)=O)C(C)(C)C)c(Br)c1
|
Brc1c[nH]nc1CN1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1
|
C[C@H](N[C@@H]1CCCN(C)[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1
|
O=C(N=c1nc[nH]n2cccc12)[C@H]1CCN(Cc2c(O)ccc(Cl)c2Cl)C[C@@H]1O
|
COc1nn(C)cc1C(=O)N[C@H]1CCN(C(=O)[C@H]2CCCN(C(=O)N(C)C)C2)C1
|
C[C@@H]1[C@H](C(=O)NCC2C[C@H]3CC[C@H](C2)C3)CCCN1C(=O)[C@H](CO)C(F)(F)F
|
CCc1c[nH]nc1C(=O)N1C[C@H]2COCC[C@@]2(NC(=O)C=Cc2cscn2)C1
|
CCCCCN(CCC(=O)N[C@@]1(C)CCN(C(=O)[C@@H](O)c2ccco2)C1)C(C)C
|
C[C@H](C[C@@H]1CCCO1)C(=O)NCC1(F)CN(C(=O)C(=O)NCCC(N)=O)C1
|
CC[C@@H]1CN(C(=O)C2=CCOC2)CCN1C(=O)[C@H]1CNC(=O)N1C
|
CC(C)C=C(C#N)C(=O)N1CCC(F)(CNC(=O)c2ccc(F)cc2F)CC1
|
C=CCCC(=O)N[C@@H](C)CN(C)C(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1
|
CC(C)(CNc1c[nH]nc1Br)c1ccccn1
|
C=C(Br)CCC(=O)N(C)CCCCCNC(=O)[C@@H]1CCO[C@H]1CC
|
C=C=C[C@H](C)C(=O)N1CC2(CC2)C[C@@H]1CNC(=O)c1ccc(C2CC2)cc1F
|
CCN(CCCNC(=O)C1(C2CCC2)CCC1)C(=O)c1cc2cccnc2cn1
|
C[C@H]1CN(c2ncnc(Cl)c2Br)CC[C@H]1NC(=O)c1cn(CC2(C)COC2)nn1
|
CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC(=O)N2CC)CCN1C(=O)CSCCOC
|
Cc1cc(C2CC2)ncc1C(=O)N[C@@H]1CN(C(=O)c2ccnc(C)c2N)C[C@@H]1C
|
CCCC(=O)NCC(=O)N(C)CC1(NC(=O)[C@H]2CC[C@H]2C#N)CC1
|
C=CCCCCC(=O)N[C@H](CCC)CC(=O)N[C@@H]1CCCCC12CCC2
|
Cc1cccc(OCCC(=O)NC[C@@H]2CN(C(=O)[C@H]3CCS[C@H](C)C3)CCO2)c1
|
CC(=CC(=O)N[C@@H]1CC12CC(NC(=O)[C@@H](C(C)C)N(C)C)C2)C(C)C
|
Cc1c(CN2CCSCC2)cccc1NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)O1
|
CNC(=O)N[C@@H]1CCN(C(=O)[C@@H]2[C@H](O)CCN2C(=O)c2cnnn2C)C1
|
COCCCn1cc(C(=O)NCC2(NC(=O)[C@@H](OC)C3CCC3)CCC2)cn1
|
CC[C@@H](CN(C)C(=O)[C@H](C)n1nccc1C)NC(=O)Cc1cccs1
|
CC(C)C(=O)N[C@H]1CN(C(=O)[C@@H](O)C(C)(C)C)C[C@H]1CO
|
CCCC(C)=CC(=O)N1CC[C@H]1CNC(=O)C1([C@H](O)C(F)(F)F)CCC1
|
COC[C@](C)(O)c1cn(CC2(CNC(=O)c3ccc(Cl)cc3C(F)F)CC2)nn1
|
Cc1ncccc1CC(=O)N1C[C@@H](C(=O)NCC2(CC(C)C)CCC2)C(C)(C)C1
|
Cc1cc2c(cc1C)O[C@H](C(=O)N1C[C@H](CNC(=O)c3cc(Br)n[nH]3)C[C@H]1C)C2
|
C[C@@H](O)[C@H](NC(=O)Cc1cccnc1F)C(=O)N1C[C@H]2CCC[C@@]2(CO)C1
|
COCC1(NC(=O)[C@H](O)C2CCCCCC2)CN(C(=O)CCN2CCCCC2)C1
|
CCO[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)c1ccc(C=NOC)cc1
|
O=C(CCOCC1CC1)N1CC2(C(=O)N3CC[C@H]([C@H]4CCOC4)C3)CCC1CC2
|
CCCc1ncoc1C(=O)N[C@H]1CN(C(=O)CSCCC#N)C[C@H]1OC
|
CCc1ncccc1C(=O)N(CC)CCC(=O)NCC1(CN(C)C)CC1
|
C=CCOCC(=O)NC12CC(CNC(=O)c3nc(OCC)ccc3Cl)(C1)O[C@H]2C
|
CC(C)c1ccoc1C(=O)N1CCC[C@H](NC(=O)Cc2ccccc2F)[C@@H](F)C1
|
C=CCCC(=O)N1CCC[C@]2(CCCN2C(=O)[C@H](CC)OCC)C1
|
O=C(NC1CC2(CCN(C(=O)[C@@H]3C[C@H]3F)CC2)C1)c1cc2cc(F)ccc2s1
|
CC1(C)[C@@H](NC(=O)C2=C(Cl)CC2)C[C@H]1CNC(=O)c1cc(CCCO)on1
|
CC(F)(F)C(=O)N1CCOC[C@](F)(CNC(=O)CC(=O)Nc2nccs2)C1
|
C=C=C[C@H](C)C(=O)N[C@H]1C[C@@](C)(NC(=O)[C@H](CC(N)=O)NC(=O)OC(C)(C)C)C1
|
CCc1nonc1C(=O)N[C@H]1CN(C(=O)Cc2ccc(OC)c(Cl)c2)C[C@H]1OC
|
Cc1c(Br)ccnc1C(=O)NC1(CO)CN(C(=O)c2cc(Cl)cn2C)C1
|
Cc1nc[nH]c1C(=O)NC[C@H](Cc1ccccc1)NC(=O)c1nccn1C(C)C
|
CC[C@H]1C[C@@H]1C(=O)NCCn1ccc(C(=O)N2CCC[C@]2(C)CCCO)c1
|
CC[C@@](C)(O)C(=O)N1CCC2(CC1)CCN(c1cc(C(F)(F)F)nc(C)n1)C2
|
C[C@H]1CCC[C@@H](n2nc(-c3cscn3)nc2-c2ccn3c2CSCC3)C1
|
NC(=O)c1ccc(C(=O)N[C@@H]2CCO[C@@H](C(=O)NCCC3CCOCC3)C2)[nH]1
|
CCOC(=O)c1ccn(CCNC(=O)[C@H](NC)c2cccc(F)c2)n1
|
COCCCCC(=O)NC/C=C/CNC(=O)c1ccc2nc(CO)[nH]c2c1
|
CC[C@H](C)NC(=O)[C@H](c1sc(Br)nc1C)N1CCC2(CC1)OCc1ccccc12
|
COCc1noc([C@@H]2C[C@@H]2C(=O)NC2(C)CN(C(=O)[C@H]3[C@@H](C)[C@H]3C)C2)n1
|
C[C@@H]1CC[C@@H](C(=O)N2CCN(C(=O)c3cc(O)nc(O)c3)CC3(CC3)C2)O1
|
Cc1ncnc(C)c1CC(=O)NCCCC[C@H](C)NC(=O)C=C1CC[C@@H](C)C1
|
Cc1csc(C(=O)NCCC2(C(=O)N3CC[C@@](C)(C4CC4)C3)CCC2)c1
|
Cc1ncc([C@H](C)N=c2nc(N3CCN(C)C(=O)C3)c3c([nH]2)CCCCC3)s1
|
COCCC1CN(C(=O)CC2C=CCC2)CCN1C(=O)CC1=C(Cl)C(F)=CC=C1
|
Cc1ncc(N)cc1C(=O)N1CCC(N(C)C(=O)/C(Cl)=C/Cl)CC1
|
C[C@H](CO)CN(C)C(=O)c1ccc(CNC(=O)[C@H]2CCC[C@H](F)C2)cn1
|
CC[C@H](C)[C@@H](CC(=O)NCc1ccc(F)c(O)c1)NC(=O)[C@H](F)C(C)(F)F
|
CCc1cc(C(=O)N[C@@H](CNC(=O)C23CC(C)(C2)C3)C2CCC2)nn1C
|
CC(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCCC[C@@H]1NC(=O)c1cnc(C)[nH]1
|
Cc1ncsc1C(=O)N1CCCN(C(=O)CCc2ccsc2)[C@H](C(C)C)C1
|
COc1cc(F)cc(OC)c1[C@@H](NC1(CF)CC1)c1nnnn1CCCC1CC1
|
Cc1cc2c(c(C(=O)N3C[C@H]4[C@H](N(C)C(=O)[C@H](C)c5ccsc5)[C@H]4C3)c1)OCC2
|
CC(C)c1sc(Cl)nc1C(=O)N1CCC(CNC(=O)CN2C(=O)CNC2=O)CC1
|
O=C(C[C@@H]1CCCOC1)N[C@H]1C[C@@H](NCCc2ccc3c(c2)CCO3)C12CCC2
|
C[C@@]1(Br)C[C@H]1C(=O)N1[C@H]2CCC[C@H]1CC(NC(=O)c1c[nH]c(C(N)=O)c1)C2
|
COc1nc(Br)ccc1C(=O)N[C@H]1CCCN(Cc2cccs2)C1
|
Cc1cc(C(=O)N(C)[C@H]2CN(C(=O)Cc3cc(F)ccc3Cl)C[C@H]2F)c(C)s1
|
COCC(C)(C)C(=O)N[C@H]1COC2(C1)CN(Cc1ccc(OC)c(C#N)c1)C2
|
N=C(N)SCC(=O)N[C@H]1COCCN(C(=O)CCCc2ccc(N)cc2)C1
|
Cc1ccc(C(=O)NCC(=O)N[C@H](C)C2(O)CN(C(=O)C(F)(F)C(F)(F)F)C2)s1
|
CO[C@](C)(C(=O)NCC[C@H]1C[C@H](NC(=O)[C@@H](F)CC2CC2)C1)C1CC1
|
CCCCSCC(=O)N[C@H]1COCC[C@H]1C(=O)N(C)[C@@H]1CCC[C@@H]1C
|
CCC[C@H](CC(C)C)C(=O)N1CC[C@](CO)(NC(=O)CCC(F)(F)F)C1
|
C#CC[C@]1(C(=O)N(C)C[C@@]2(O)CCN(C(=O)C(F)(F)CO)C2)CCOC1
|
CC[C@H](C(=O)N[C@@H](C(=O)N=c1ccn(CC)[nH]1)c1ccoc1)N(C)C
|
CCC[C@](C)(O)CC(=O)NC1[C@H]2CC(NC(=O)c3cnc(C4CC4)[nH]3)C[C@H]12
|
Cc1cc(C(=O)NCCn2cc(-c3cccc(C)c3Cl)nn2)c(C)cn1
|
CO[C@](C)(CNC(=O)C[C@@H](C)CNC(=O)CC[C@@H](C)CN(C)C)C1CC1
|
CC1CCC(O)(C(=O)N2CC(O)(CCNC(=O)[C@@H]3CC3(Cl)Cl)C2)CC1
|
CO[C@@H]1CCN(C(=O)[C@@H]2CC(F)(F)CN2C(=O)c2ccc(F)cc2C(F)(F)F)C1
|
CC[C@]1(C(=O)N[C@H]2CC[C@H]2NC(=O)c2nc(C)ncc2Cl)CCNC1=O
|
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