smiles
stringlengths 6
131
|
|---|
CN(C)C(=O)CC(=O)N(C)CCCCNC(=O)c1c[nH]nc1Cc1ccccc1
|
CCN(Cc1ccoc1)[C@@H](C(=O)Nc1cccc(Cl)c1C)c1nn(CC)cc1C
|
CNC(=O)c1ccc(NNC(=O)CC(C)(C)n2cc(CN(C)C(C)C)nn2)cc1
|
C=CCC(C)(C)CC(=O)N[C@H]1CCCN(C(=O)c2c(Cl)cccc2Br)C1
|
C#CC[C@H](CC(=O)N(CC(C)C)C(C)C)NC(=O)c1cc2ccccn2c1
|
C#CCC1(O)CCN(C(=O)[C@@H]2C[C@@H]3C[C@@H]3N2C(=O)C=CC(=O)NC2CC2)CC1
|
O=S1CCC(N=c2cc(NC[C@@H]3C[C@H]4CCCC[C@@H]4O3)nc(C(F)(F)F)[nH]2)CC1
|
C[C@H](CS(C)(=O)=O)C(=O)N1CCC2(CC1)C(=O)NC[C@H]2C(=O)NCC1(O)CC1
|
CCCCC[C@@H](O)CC(=O)N1CC[C@H](NC(=O)c2ccc(OC)cc2F)[C@H](C)C1
|
CCCCOCC(=O)N1CCN(C(=O)[C@H]2CSCCS2)C[C@@H]1c1cn[nH]c1
|
CCc1nc([C@@H](C)NC(=O)CCNC(=O)C2(C#N)CC(C)C2)n[nH]1
|
C[C@@H](O)c1nc(-c2coc3c(F)cc(Cl)cc23)n(CCC(C)(C)C)n1
|
CC[C@@H](NC(=O)[C@H]1C[C@@H](N=[N+]=[N-])CN1C(=O)C[C@H]1CCCC(=O)C1)C(C)C
|
N#CCC(=O)N1CC[C@H]2CCN(C(=O)[C@@H]3CCCc4ncnn43)C[C@H]21
|
CCc1onc(C)c1C(=O)OCCCc1ccc2ccccc2c1
|
CCC(C)(C)c1cn(C[C@H](C)NC(=O)CCc2c[nH]c3c(C)cccc23)nn1
|
COC(=O)[C@H]1CC2(CCC2)CN1C(=O)[C@@H](C)n1cc(C2C(C)(C)C2(C)C)nn1
|
COC[C@@H](C)CC(=O)N1CCC2(CCN(C(=O)C(=O)NCC(F)F)CC2)C1
|
O=C(NCCO[C@@H]1CCN(c2nc3cc(F)c(F)cc3s2)C1)[C@@H]1CCC[C@H]2C[C@@H]21
|
CC1(C)C[C@@H](CNC(=O)CCCF)CN(C(=O)c2cnc3c(c2)NC(=O)CO3)C1
|
Cc1cc(C)c2c(N3CCC(O)(C(=O)N[C@H]4CC[C@H]4O)CC3)ncnc2n1
|
Cc1nc(C(=O)NCC(=O)N2CCN(C(=O)[C@]3(CF)CC3(F)F)CC2)n(C)n1
|
C=C[C@@H](C)C(=O)N[C@]1(C)CCC[C@H]1NC(=O)CN1CCCCC1
|
CC(C)(C)[C@@H](NC(=O)[C@H]1C[C@@](C)(O)C1)C(=O)N1CCc2ccsc2C1
|
CC(=CC(=O)N1CCO[C@@H](CN(C)C(=O)CSc2cccc(C)c2)C1)C(F)F
|
COC[C@](C)(OC)C(=O)NC[C@H](O)CNC(=O)c1ccnnc1O
|
C=C[C@@H]1CCCN(C(=O)[C@@H]2CCCCCN2C(=O)CCCC)C1
|
C[C@H]1CC=C(C(=O)N2CCC(F)(CNC(=O)CC[C@H]3CCCCN3C)CC2)CC1
|
COC[C@@H](O)CNC(=O)c1ccc2c(n1)CN(C(=O)CC(C)(C)C1CC1)CC2
|
CCCC(=O)N1CCC[C@H]1CC(=O)NC[C@@H](C)Cn1cccn1
|
CCc1cccnc1C(=O)NCCC1CC(NC(=O)c2cc(Br)cn2C)C1
|
CCN(C)CC=CC(=O)N1C[C@H]2C[C@@H]1[C@H]2C(=O)N(C)C[C@H](C)COC
|
COC[C@@]1(C(=O)N2CC[C@@]3(C2)NC(=O)NC3=O)CCOC1
|
CCCN(CCNC(=O)Cc1cccc(C)c1)C(=O)[C@@H]1CC12CCS(=O)(=O)CC2
|
CCN(CCNC(=O)C[C@@H](C)n1cc(Br)cn1)C(=O)[C@H](C)C(F)F
|
CNS(=O)(=O)CC(=O)N(C)C[C@H]1CCCCN1C(=O)c1cn(C)nc1COC
|
CCc1cccc(CN2CCC[C@H](Oc3ccc(C(F)(F)F)cc3)C2)n1
|
Cn1cc(C(=O)NNC(=O)Cc2cccc(F)c2)c(C2CC2)n1
|
Cc1ncc(C(=O)N[C@@H]2CN(C(=O)[C@H]3C=CCC3)C[C@@H]2Cc2ccccc2)s1
|
CCn1cccc(NC(=O)[C@@](C)(CO)NC(=O)c2cc(CO)oc2C)c1=O
|
C=CCOC(=O)C(C)(C)NC(=O)CC1(OC)CN(C(=O)CCC)C1
|
C[C@@H]1C[C@H](C(=O)NCCOC2CN(C(=O)/C=C/C(F)(F)F)C2)CCO1
|
CC[C@@H]1CN(C(=O)CCCCNC(=O)Cn2ccnn2)[C@@H](C)CO1
|
C[C@H](NC(=O)c1n[nH]c2c1COCC2)[C@@H]1CCN(C(=O)CC(C2CC2)C2CC2)C1
|
CCOCCO[C@@H](C)C(=O)N[C@H]1CCN(C(=O)c2cccc(NC(=O)CC)c2)C1
|
CC(=CC(=O)N1CCOC[C@H]1CCNC(=O)CC(F)(F)C(F)(F)F)C(C)(C)C
|
Cc1[nH]nc2c1CC[C@@H](C(=O)NCCCCNC(=O)c1cc(C)n(C(C)C)n1)C2
|
CC1=C(C(=O)N2CC3(C[C@@H](C(=O)NC(C)(C)C4CCOCC4)CO3)C2)COCC1
|
Cc1cc(NC(=O)CSCc2c(C)noc2C)ccc1NC(=O)[C@@H]1CO[C@@H](C)C1
|
O[C@H]1CC[C@]2(CCCN(c3ccnc4ccc(Br)cc34)C2)C1
|
CC(C)(F)[C@@](C)(F)C(=O)N1CCC[C@H](N=c2[nH]c(Cl)ncc2F)CC1
|
CC(C)Nc1cccc(C(=O)N2CCCC[C@H](NC(=O)[C@]3(C)C[C@H]3C)C2)c1
|
Cn1nc(C(=O)N2CCC[C@@H](n3cc([C@@H]4CCC[C@H]4O)nn3)C2)c2ccccc21
|
CCSCCNC(=O)[C@H](F)C1CC(NC(=O)CCC(=O)N(C)C)C1
|
COC(=O)[C@@H]1[C@@H](c2ccccc2)CCN1C(=O)c1cn(CCF)nn1
|
Cc1csc(CC(=O)N[C@H]2C[C@]23CCN(C(=O)C2CCN(C(N)=O)CC2)C3)c1
|
O=C(COCC1CCCC1)N[C@H]1CCO[C@@H](C(=O)N2CCCC(F)(F)C2)C1
|
CC(Cl)=CC(=O)N[C@]1(C)C[C@@H](NC(=O)c2cc(S(=O)(=O)NC[C@H](C)O)c[nH]2)C1
|
CN(C)CC[C@@H]1CCN(C(=O)C[C@@H]2CCN(C(=O)CSC(F)F)C2(C)C)C1
|
O=C(OC[C@@H]1C[C@@H]2C=C[C@H]1CC2)c1ccc(CN2CCCCC2=O)cc1
|
Cc1nc(NC(=O)Cc2ccccc2Cl)sc1C(=O)N1CCC(=O)[C@@H](C)C1
|
CN(C(=O)[C@H]1COCCN1C)[C@H]1CCCN(C(=O)c2cc3ccncc3s2)C1
|
C[C@H](NC(=O)c1cc2ccncc2[nH]1)C1(O)CN(C(=O)C2(n3ccnn3)CC2)C1
|
Cc1nsc(C)c1C(=O)NCCCOCCN(C)C(=O)c1occc1C(C)C
|
CC(C)(CC[C@H]1CCCCN1C(=O)C#CC1CC1)NC(=O)Cc1cn[nH]c1
|
CCn1cc(C(=O)N2CC[C@@H]3C[C@]3(C(=O)N(C)[C@H]3C[C@H]3C)CC2)c(C)n1
|
O=C(c1cnn(CCN2CCCCC2)c1)N1CCN([C@@H]2CCC[C@@H]2O)CC1
|
Cc1ccc(C(=O)N2CC(F)(CNC(=O)[C@@H](C)NC(=O)c3ccc(Cl)cc3)C2)s1
|
CCC1=C(C(=O)N[C@H](C(=O)N(C)CCN(CC)CC)C2(O)CCC2)CCCO1
|
Cc1ccc(C)n1CC(=O)N1CC[C@@H](N(C)C(=O)Cc2nc3c([nH]2)CCCC3)C1
|
Cc1cc(CC(=O)N2CC[C@H]3CO[C@H](CC(=O)N4C[C@@H]5[C@@H](C4)C5(C)C)[C@H]3C2)n[nH]1
|
C=CC[C@H](C(=O)N1CCC[C@@]1(CNC(=O)c1cnn(CC=C)c1)COC)C(C)C
|
N#CCCCC(=O)N[C@@H]1C[C@@H](NC(=O)c2cnc3ncccn23)C12CCC2
|
C[C@H](CC(=O)N[C@H]1CCN(C(=O)c2cc(-c3ccoc3)on2)C12CC2)C(F)(F)F
|
Cn1nccc1[C@@H]1CN(C(=O)c2sccc2Cl)C[C@H]1NC(=O)[C@@H]1[C@H]2CNC(=O)[C@H]21
|
CC[C@H]1CN(C(=O)c2cc3c(nn2)CCCC3)CCN1C(=O)c1cccc(Cl)c1
|
Cc1nc(C(=O)NC[C@H]2CC[C@@H](C)N(C(=O)c3nnn(C(C)C)c3C)C2)nn1C
|
C[C@H]1CC[C@@H]1C(=O)N1CCO[C@@H](C)[C@@H]1C(=O)N[C@H]1C[C@H](CO)C1
|
Cn1ccnc1CCC(=O)NC1CC(CN=c2[nH]ccc(C#N)c2[N+](=O)[O-])C1
|
Cc1ccc(C=CC(=O)N2CCCN(C(=O)C(C)(F)F)C[C@@H]2CO)o1
|
Cc1cc(C(=O)NC[C@H]2CCN2C(=O)C23C4C5C2C2C3C4C52C(N)=O)n(C)n1
|
CC1=C(C(=O)N[C@H]2CCC[C@H](NC(=O)CSc3nccn3C)CC2)CCC1
|
C[C@@H]1CCN(C(=O)[C@H]2CC23CCC3)C[C@@H]1N(C)C(=O)c1nc(C(C)(F)F)cs1
|
COc1cccc(C(=O)N2CCN(C(=O)c3cn(C4CC4)cn3)C[C@@H]2CF)n1
|
CCCC=CC(=O)NC[C@@]1(C)COCCN(C(=O)c2cc(O)n(CC)n2)C1
|
CN(C[C@@H]1CCCCO1)C(=O)[C@H](NC(=O)C=Cc1nccs1)c1ccccc1
|
NC(=O)C1CCN(CC(=O)N2CCC[C@@H](C(=O)NCc3ccccn3)C2)CC1
|
C[C@@H]1CCC(=CC(=O)N(C)CCOCCCNC(=O)c2ccc(Cl)c(N)c2)C1
|
CSC(C)(C)C(=O)NCC1([C@H](C)NC(=O)CCCCCCCCCO)CC1
|
C=C(C)C[C@H](NC(=O)CC[C@H]1CCCO1)C(=O)N1C[C@H]2C[C@H](C[C@@H]2CO)C1
|
C[C@H](c1ccco1)c1nc([C@@H]2COc3ccccc32)nn1-c1ccc(F)nc1
|
CC1=CC(C)=NS(=O)(=O)N1CC(=O)OC1COCC1(F)F
|
COC(C)(C)CC(=O)N1CC2(F)CC(CNC(=O)[C@H]3CCOC4(CCC4)C3)(C1)C2
|
CC(C)CONC(=O)C[C@H](C)C(C)(C)NC(=O)C[C@@H]1CC1(C)C
|
CSC1=C(C(=O)NCCCN(C)C(=O)[C@H]2CCCN2c2ncccn2)CCCC1
|
Cc1cccc(C(=O)N2CCC[C@H](CC(=O)N3CCO[C@@H](C)CC3)C2)c1F
|
Cc1nc(C(C)C)sc1C(=O)N1CC(CNC(=O)[C@@H]2CCC[C@H]2O)(C(C)(C)O)C1
|
CC(=CC1CCC(C)CC1)C(=O)N1CCC[C@@](C)(NC(=O)C2C(C)(C)C2(C)C)C1
|
CN(Cc1cn(C)nn1)c1ncccc1S(=O)(=O)NC[C@@H]1CCCOC1
|
O=C(C[C@]12CCC[C@@H]1C2)N[C@H]1CCO[C@H](C(=O)NCc2cnn[nH]2)C1
|
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