smiles
stringlengths 6
131
|
|---|
C[C@@H]1CCN(C(=O)CC(F)(F)C(F)F)[C@H](CNC(=O)[C@@H](C)NC(=O)C(C)(C)C)C1
|
CCO[C@@H]1CN(C(=O)C2=NOC(C)(C)C2)C[C@H]1CNC(=O)c1ccc(N)c(N)n1
|
CCC1(CC)CCCN([C@H](C(=O)NC[C@H]2CCOC2)c2cc(C3CC3)no2)CC1
|
O=C(C1=C(Cl)CCOC1)N1CCC[C@@H]2CCN(C(=O)C3(F)CC3)C[C@@H]21
|
C#CC1CC2(C1)CC(C(=O)NC(C)(C)CCNC(=O)[C@H]1CCC[C@H]1SC)C2
|
Cc1nc(C(=O)N[C@@H]2CCCN(C(=O)c3cnc(N(C)C)nc3)[C@@H]2C)nn1C
|
Cc1cnn(CCNCc2ccc(-c3cccc(F)c3)s2)c1
|
COc1cc(SC)ccc1C(=O)N1CCC([C@H](C)NC(=O)C#CC2CCC2)CC1
|
C[C@H](Oc1cccnc1)C(=O)N[C@H]1CCC[C@@H](CNc2nccc(CC#N)n2)C1
|
C[C@H](CNC(=O)[C@@H](C)OCC1CC1)C(=O)N1CC(O)(c2cc[nH]n2)C1
|
C=CC[C@H](C)C(=O)NC1(C2CN(C(=O)[C@@H]3C[C@H]3C(C)C)C2)CC1
|
COCC(F)(F)C(=O)N[C@H]1COC2(C1)CN(C(=O)c1c[nH]c(C(=O)OC)c1)C2
|
CC(C)c1cccc(CC(=O)N2C[C@H](O)[C@H](NC(=O)[C@@H](O)c3cccnc3)C2)c1
|
C[C@@H]1CC[C@](C)(NC(=O)[C@@H]2CN(C(=O)C3(C#N)CC(F)(F)C3)CCN2C)C1
|
O=C1C[C@H]2C[C@H](C(=O)N3CCC[C@H](CC(=O)N4CCC45CC(O)C5)C3)[C@H]1O2
|
CC1(C)[C@@H](NC(=O)CC2(O)CCOCC2)C[C@@H]1CC(=O)NCC(=O)N1CCCC1
|
CCOC(=O)C[C@@H](C)C(=O)N1CCCC(C)(C)[C@@H]1C(=O)N(CCO)CCC(C)C
|
C[C@H]1[C@H](NC(=O)C(C)(C)c2ccno2)CCCN1C(=O)c1cc(Cl)cs1
|
Cc1cc(-c2ccc(NCc3cc(C)c(Br)cc3C)c(F)c2)c(C)s1
|
CCc1ccc(C(=O)N2CCC(C)(NC(=O)c3cnc(C)cn3)CC2)cn1
|
COC[C@H]1COC2(C1)CN(C(=O)[C@H]1C[C@@H]3CC[C@H]1CC31OCCO1)C2
|
CS[C@H]1CCC[C@@H]1C(=O)N1CCC2(CC1)CN(C(=O)C=Cc1cnc[nH]1)C2
|
CCN(CC)[C@H](C)C(=O)NCC1(NC(=O)Cc2ccc(C)o2)CC(F)(F)C1
|
CCC[C@H](C)CC(=O)N1CC[C@@](CF)(NC(=O)c2cc(C)n([C@@H](C)CC)n2)C1
|
CC1(C)CC[C@@H](C(=O)NC[C@@](O)(c2cccc(Cl)c2)C(F)(F)F)C1
|
CC[C@@H](F)C(=O)NCc1c(C)nn2c1CN(C(=O)c1ccnnc1O)CC2
|
COc1cc(C)cnc1C(=O)N1C[C@@H]2C[C@H](C1)C2Nc1cc(C(C)(C)C)ncn1
|
CN(C)CCCC(=O)N1CC[C@@H](N2CCN(C(=O)C[C@@H]3CCC(=O)N3)CC2)C1
|
O=C(CC1CC2(C1)CN(C(=O)CCc1ccco1)C2)N[C@@H]1CCCCC[C@@H]1CO
|
CNc1ccc(C(=O)N2CCC[C@]2(CNC(=O)CC(F)(F)C(C)C)COC)cc1
|
CCN(CC)CCc1cn(C2(C(=O)N3CC[C@H](OC)[C@H](C)C3)CCOCC2)nn1
|
CN1CC[C@@](NC(=O)[C@H]2CCO[C@@H]2C2CC2)(C(=O)N[C@H](CO)CC2CCC2)C1
|
O=C(O[C@@H]1CCN(C2CC2)C1=O)[C@H]1CCCN1C1CCOCC1
|
CC(C)N1N=C(C(=O)NC[C@@H]2CCN(C(=O)C[C@@H](C)C3CC3)C2(C)C)CCC1=O
|
CCCc1cc(CN(C)CC(=O)NC2(CO)CCCCCC2)n[nH]1
|
CCOCCOCC(=O)N[C@@]1(COC)CCN(C(=O)Cn2nc(C)n(C)c2=O)C1
|
CN1C(=O)NC[C@H]1C(=O)Nc1cccc(NC(=O)c2cnoc2-c2ccco2)c1
|
O=C(Cc1ccoc1)N1CCN(CCN=c2ccn3nccc3[nH]2)CC1
|
Cc1cc(Cl)cc([C@H](C(=O)NCCCC2CC2)N2[C@@H](C)[C@@H]3CCCC[C@H]3[C@H]2C)c1
|
O=C(Cc1csc(Cl)n1)NC[C@@H]1C[C@@H]2C[C@H]1CN2C(=O)c1ncccc1Cl
|
O=C(Cc1cn(C2CC2)cn1)N1CCN(C(=O)CCc2csnn2)C2(CCC2)C1
|
Cc1ncoc1C(=O)N[C@H]1C[C@]2(C(=O)N(C)C[C@@](C)(O)C3CC3)CO[C@H]1C2
|
C=C(Cl)C(C)(C)C(=O)N1CC[C@@]2(CCCN2C(=O)[C@H](CC)C/C=C/C)C1
|
C=C[C@@H]1C[C@H]1C(=O)NC(C)(C)CCNC(=O)c1c(F)ccc(OCC)c1N
|
CCC[C@@H](OCC)C(=O)N[C@@H](CC(=O)N(CC)OC)C(F)F
|
Cc1ncn(C)c1C(=O)N[C@]1(C)CCN(C(=O)[C@@H](O)c2cncn2C)C1
|
COCCn1ccc(C(=O)N[C@H](C)C2CCN(C(=O)C3CC(F)(CF)C3)CC2)n1
|
C/C=C/C[C@H](CC)C(=O)N(C)C(C)(C)CC(=O)N1CC[C@@H](C)[C@H]1C(=O)OC
|
CC(C)c1ncc(C(=O)NC[C@H](NC(=O)c2cc[nH]c(=N)c2)[C@H]2CCOC2)[nH]1
|
CCn1nc(C)c(C(=O)N2[C@H]3CCC[C@H]2CC(NC(=O)c2cccnc2)C3)c1Cl
|
C#C[C@@H]1CCN(Cc2nnc3n(C)c(=O)c4ccccc4n23)C1
|
C[C@H](C(=O)N1CC[C@@](F)(CNC(=O)C(C)(C)c2cscc2Cl)C1)n1ccnc1
|
CCS(=O)(=O)CCN(C)C(=O)C1CCN(C(=O)C[C@@H]2CCS(=O)(=O)C2)CC1
|
COC(=O)c1cnc(NC[C@H]2CC[C@H](NC(=O)c3ccc(F)nc3)C2)c(Cl)c1
|
C[C@@]1(CNC(=O)C=Cc2ccc[nH]2)CCN(C(=O)c2cc(C(F)(F)F)ns2)C1
|
COc1cc(C)c(NC(=O)c2nc(-c3cccc(CN(C)C)c3F)cs2)cc1Br
|
Cc1cn2cc(C(=O)N[C@@H]3CCC[C@H](CNC(=O)c4coc(C)n4)C3)sc2n1
|
CC(C)[C@H](NC(N)=O)C(=O)N[C@@H](C)CNC(=O)[C@@H]1CCCc2nnn(C)c21
|
C=C[C@H](CC)C(=O)N[C@@H](CCCC)CNC(=O)c1ccc(C)c(N)c1
|
Cc1cc(=O)n(C)nc1C(=O)N1CCC[C@@H](C)[C@H]1CCNC(=O)C(C)(C)C(F)F
|
C=CCC[C@H]1CCCN(C(=O)[C@@H](CCC2CC2)NC(=O)c2nccc(C)c2F)C1
|
C=C[C@@H](CCC)CC(=O)N1CC[C@](CCOC)(NC(=O)C2=C(Cl)CC2)C1
|
C[C@H](NC(=O)[C@H](O)c1cccc(Cl)c1)C1CCN(C(=O)[C@@H]2NC(=O)O[C@H]2C)CC1
|
CCCC[C@H](C(=O)N(C)[C@H](C)CNC(=O)[C@@H](CC)c1cccc(Cl)c1)N(C)C
|
C#Cc1cccc([C@H](C(=O)NC(C)(C)CC)N2Cc3ncsc3C2)c1
|
CN(C)c1ccc(C(=O)NC[C@H]2C[C@@H]3CC[C@H](C2)N3C(=O)C2(Cl)CC2)cc1
|
CCCc1nccn1CC(=O)N(C)CCN(C)C(=O)CCNC(=O)OC
|
Cc1cc(Cl)c(Cl)cc1C(=O)N[C@H]1C[C@H](NC(=O)[C@H]2CCc3ncncc3C2)C1
|
CC(C)(C(=O)NCCC[C@@H](CO)NC(=O)C[C@H]1CCCSC1)c1ccccc1
|
CC[C@H](NC(=O)[C@@H]1CCO[C@H]1CNC(=O)C1(CO)CCC1)[C@@H](C)CN(C)C
|
C=C[C@]1(C(=O)N2CCC(C#N)CC2)CCN(C(=O)c2sncc2CC)C1
|
CC=C[C@H](O)C(=O)N1CCO[C@@H](CCNC(=O)CCc2nc(C)c(C)o2)C1
|
COC[C@@H](O)Cc1cn(CC2CN(C(=O)C[C@@H](C)c3ccc(F)cc3)C2)nn1
|
CC(C)(C(N)=O)C(=O)NC[C@@H]1C[C@H]1CNC(=O)[C@]12CCC[C@@]1(C(N)=O)C2
|
C=C(Cl)C(C)(C)C(=O)N1C[C@H](NC(=O)[C@@H](C)c2ccc(N(C)C)cc2)C2(CC2)C1
|
C#Cc1ccc(C(=O)NC[C@H]2CCN(C(=O)c3cccc(OC(C)C)c3)C2)cc1
|
CCn1cnnc1C(=O)N1CCC[C@H]1CN(C(=O)C[C@@H](C)SC)C1CC1
|
CN1C(=O)CC[C@H]1C(=O)N(CCc1ccc(F)cc1)C(C)(C)C
|
CO[C@H](C)C(=O)NCC[C@@H]1COCCN1C(=O)Cn1ncc(C#N)c1N
|
CCN1CCOC[C@@H]1C(=O)N1CC2(CC(CC(=O)NC[C@]3(F)C[C@H](CO)C3)C2)C1
|
CO[C@H](C(=O)N[C@](C)(CNC(=O)c1ccc2c(c1)COC2=O)C(C)C)C(C)(C)C
|
CCOc1ccc(C(=O)N2CCN(C(=O)c3nnc(C)s3)CC2)c(F)c1F
|
CC[C@@H](C)CCC(=O)NC[C@H]1CCN(C(=O)c2[nH]nc3c2COC3(C)C)C1
|
C=C(C)[C@@H](CC(=O)N1CC[C@]2(C=C(C(=O)NCCOC3CCCC3)C2)C1)OCC
|
CCCCC(F)(F)C(=O)N[C@H](C)[C@@H]1CCCN(C(=O)c2cccc(N(C)C)n2)C1
|
O=C(Nc1cc(F)c(F)cc1[N+](=O)[O-])[C@]1(O)CCN(Cc2ccc(O)cc2Cl)C1
|
Cc1nnc(CCC(=O)NCC2CC(NC(=O)[C@H](C)CC(C)(F)F)C2)n1C
|
CC(C)NC(=O)NCCNc1nccc(=NCC[C@@H]2CCCO2)[nH]1
|
COc1cc(C)c(C(=O)N2CCN(C(=O)C3=C[C@H]4CC[C@H]3C4)C[C@H]2CCO)cn1
|
C=C[C@H]1CN(C(=O)C=CC=CC)C[C@H]1NC(=O)[C@@H]1CCC[C@H](CF)C1
|
COCC(=O)N1CCN(C(=O)CNC(=O)c2ccc(C)s2)[C@@H](C2CC2)C1
|
CNC(=O)C[C@@H]1CN(C(=O)C2(O)CCC2)CCN1C(=O)c1cc(Cl)c(F)cc1F
|
CC[C@H](O)C(=O)NCC[C@@H]1C[C@H](OC)CN1C(=O)[C@H](CO)N(C)C
|
C[C@@H]1CCc2c(C(=O)NC[C@H]3[C@H](C)CCN3C(=O)Cc3cnsc3)csc2C1
|
CC(C)C[C@H]1CCN1C(=O)C[C@@H]1C[C@@H](O)CN1C(=O)c1cnnc(O)c1
|
Cc1nn(C)c(C)c1C(=O)N[C@H](CNC(=O)c1c[nH]c(=O)cn1)C(C)(C)C
|
Cc1cc(C2(C(=O)N(C)[C@H]3CC[C@H](NC(=O)COC4CC=CC4)C3)CC2)on1
|
CC(C)[C@@](C)(CNC(=O)CCn1cccnc1=O)NC(=O)[C@@H]1CC(C)(C)CN1C
|
CCC[C@@](C)(CC)NC(=O)[C@H]1CN(C(=O)COC2CC2)CC(C)(C)C1
|
Cc1ccc(-n2cc([C@@]3(C)CCCN3C(=O)C3CS(=O)(=O)C3)nn2)c(F)c1
|
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