smiles
stringlengths 6
131
|
|---|
CCOC(=O)c1cccc(COC(=O)C(F)(F)Oc2ccc(F)cc2)c1
|
CC(C)(CCC#N)C(=O)N[C@H]1CCC[C@@H](C(=O)N2CCCN(C=O)CC2)CC1
|
CCCCCC(=O)NC[C@@H]1CCC[C@@H](NC(=O)c2cc3c(F)ccc(Cl)c3[nH]2)C1
|
Cc1ccnn1CC(=O)N1CCC[C@@H](NC(=O)CCOCCOCCCO)C1
|
CC(=O)NC1(C(=O)N2CC[C@H]([C@@H](F)C(=O)NCC34CC(CCO3)C4)C2)CC1
|
CC1(CC(=O)N2CC[C@H]2CNC(=O)c2cc(Br)c3n[nH]cc3c2)CCCC1
|
Cc1ccc2nonc2c1C(=O)N1CC(C2(NC(=O)CC[C@@H]3CC3(C)C)CC2)C1
|
COc1n[nH]cc1C(=O)N1CCN(C(=O)C(=O)NCC(F)(F)F)[C@@H]2C[C@@H]21
|
CC1(C(=O)N2C[C@@H](NC(=O)c3cccc(F)c3O)[C@H](C(F)F)C2)CCCCC1
|
CSc1ccc(C)c(C(=O)NC[C@H]2[C@@H](C)CCN2C(=O)C(C)=CC2CC2)c1
|
O=C(N[C@H](C(=O)N1CC(c2cc[nH]n2)C1)C1CC1)c1cnn(C2CC2)c1
|
Cn1cccc1C(=O)COC(=O)C(C)(C)Oc1cccc(Br)c1
|
Cc1oc(Br)cc1C(=O)N[C@@H](CNC(=O)[C@H]1C[C@H]1F)C1CCCC1
|
CCO[C@H](CC)C(=O)N(C)C(C)(C)CC(=O)N1CC(SCC)C1
|
C=C[C@@](C)(O)CC(=O)NCCCCCCC(=O)Nc1cc(C)cc(C#N)c1
|
C[C@@H]1C[C@H](NC(=O)CN(C)CC(C)(C)C)CN1C(=O)Cn1ncc2cccnc21
|
CCn1nc(C(=O)N2CC(O)(CCNC(=O)[C@@H]3O[C@H]4CC[C@H]3C4)C2)cc1O
|
CN(C)[C@H](CO)C(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CN1C(=O)CC(C)(C)C1=O
|
CN1CCC(OCC(=O)N2CCCC[C@H]2CCCNC(=O)CCF)CC1
|
C=CC[C@@](C)(O)C(=O)N[C@@H]1CCC[C@H](CC(=O)NC[C@H]2CC23CC3)C1
|
Cc1nc(C(=O)NC[C@H](O)C(=O)N(C)[C@H](C)CC2CC2)c(C)o1
|
CC[C@H](C)N1C(=O)N[C@H](c2ccnc(F)c2O)C2=C1C[C@@H](C(=O)O)NC2=O
|
Cc1cncc(C(=O)NC[C@@H]2CCCN(C(=O)c3ncnc4c3ccn4C)C2)n1
|
CC(=O)NCC(=O)N[C@]12CCC[C@@H]1N(C(=O)Cn1ccc(=N)[nH]1)CC2
|
COc1cccc2[nH]nc(C(=O)N3CCC[C@@H]3C3(NC(=O)[C@@H](C)CO)CC3)c12
|
C=CC[C@@]1(C(=O)N[C@H](CC)C(C)C)CCCN1C(=O)c1nnccc1C
|
CCCCS(=O)(=O)CC(=O)NC1CCC(N(C)C(=O)[C@H]2CCCC23CCC3)CC1
|
CCCCCCOCC(=O)N[C@@H]1CN(C(=O)[C@@H](O)CC(N)=O)C[C@H]1O
|
CC[C@@]1(C)CC[C@@H](CS(=O)(=O)Oc2ccccc2COC)O1
|
CC[C@]1(C(=O)N2[C@H]3CC[C@H]2[C@@H](C)[C@H](NC(=O)c2sccc2F)C3)CC1(F)F
|
CC[C@H]1CN(C(=O)CONC(=O)c2c(C#N)ncn2C)C[C@@H]1O
|
C=C[C@@H](CC)CC(=O)N(C)CC1CN(C(=O)c2ccnc(F)c2OC)C1
|
CC(C)(OCC(F)(F)F)C(=O)NC1CN(C(=O)c2cc(CF)on2)C1
|
C#CCn1cccc1C(=O)N[C@]12CCN(C(=O)c3cc(C)nc(C)c3)C[C@@H]1C2
|
C[C@@H](CCCNC(=O)C(C)(C)c1sccc1Cl)NC(=O)[C@@H]1C=CCCC1
|
CCOC1CC(CNC(=O)[C@]23CCC[C@@H]2CCN3C(=O)c2cc([N+](=O)[O-])n[nH]2)C1
|
CCN=c1[nH]c(C(=O)N[C@@]2(CNC(=O)C[C@@H]3CCC4(CCC4)O3)CCOC2)cs1
|
CCc1ccc(C(=O)N[C@]2(C(=O)NCC3CC4(CC[C@H]4O)C3)C[C@H](O)C2)o1
|
CC(C)(C)C[C@@H](F)C(=O)N1C[C@H]2C=C[C@H]1[C@@H](C(=O)N1CCN(CCO)CC1)C2
|
CC[C@H](CC(C)C)C(=O)NC[C@H]1CC[C@@H](C(=O)NCCCCCOC)C1
|
CC#CCCC(=O)N[C@H](C(=O)NC[C@@H](CC(C)C)N(C)C)c1ccco1
|
CCN1CCOC[C@H]1C(=O)NC[C@H]1CCCCN1C(=O)CCN1CCCCC1=O
|
Cn1nc(C(=O)N[C@@H]2CCC[C@@H]2NC(=O)Cc2cncnc2)cc1C1CC1
|
CCc1nc(C)ncc1C(=O)N[C@@H](c1ncccc1C)C1CCCC1
|
C[C@@H]1C[C@@H](CNC(=O)C(C)(C)C(C)(C)C)CN1C(=O)c1ccc(CCO)cc1
|
CCCCCc1nc(-c2cc3c(OC)cccc3[nH]2)n(C[C@@H]2C[C@@H]2C)n1
|
COC(=O)[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@@H]2N1C(=O)C1(F)CC1)c1ccccc1Cl
|
Cc1ccc(I)c(CNC(=O)N(Cc2cccnc2)C2CCN(C)CC2)c1
|
O=C(NC12CCC(NCc3ncccc3O)(CC1)C2)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1
|
CC(C)C=Cc1cn(CC(=O)N[C@H](COc2ccccc2F)C(C)(C)C)nn1
|
CCc1cc(F)ccc1C(=O)N[C@@H]1C[C@@H]1CNC(=O)[C@H]1CCc2n[nH]cc2C1
|
Cc1cnc(F)cc1C(=O)N1CCN(C(=O)C2(C(F)F)CC2)C[C@H]1CCO
|
COC[C@]1(NC(=O)c2ccnc3c2CCC3)CCN(C(=O)c2ccncc2N)C1
|
C[C@@H](CNC(=O)C1CCC1)[C@]1(O)CCN(C(=O)c2ccn3ccsc23)C1
|
C#Cc1cnc(C(=O)NC[C@@H]2CCCC[C@H]2NC(=O)Cc2nnc(O)s2)c(C)c1
|
CCC[C@H](NC(=O)CC(=O)OC(C)(C)C)C(=O)N1CCN(C)C[C@@H]1CCO
|
CS[C@@H](C(=O)NC[C@H](NC(=O)CC1=Cc2ccccc2C1)C(C)C)C(C)(C)C
|
CC[C@H](CC(F)(F)F)C(=O)N1CC([C@H](C)NC(=O)c2ccnn2C2CC2)C1
|
C[C@@H](C(=O)N1CC=C[C@H]1CNC(=O)CCn1ccc(O)nc1=O)C1CCCC1
|
C#Cc1cnc(C(=O)NC[C@H](C)NC(=O)CCc2nccn2CC)c(C)c1
|
C[C@]1(C(=O)N2CCc3ccncc3C2)CCCN1C(=O)C[C@H]1COC(=O)C1
|
C=CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2CCN(C(=O)c3ccc(CNC(C)=O)c(F)c3)[C@H]21
|
CC1(C)C[C@@H](CNC(=O)C2(CO)CCCC2)CN(C(=O)CCc2cnco2)C1
|
COCC[C@@H](C)N=c1nc(N2CC[C@@]3(COC(=O)N3)C2)c2cc(Cl)ccc2[nH]1
|
COc1cccc2cccc(C(=O)N3CCC[C@H]4CN(C(=O)C(N)=O)CC[C@@H]43)c12
|
C=CCC1(C(=O)N2C[C@H]3CN(C(=O)c4cc5oc(C)cc5[nH]4)C[C@@]3(C)C2)CCC1
|
CCOCCCCC(=O)N(CCC(=O)N[C@@H](C)C[C@@H](C)O)OC
|
CCCN1C[C@@]2(C)CN(C(=O)C3CCC=CCC3)C[C@@]2(C)C1
|
CC[C@@H](C)CCCC(=O)NC[C@@]12CN(C(=O)c3coc(Cl)c3)C[C@@H]1CCO2
|
CC[C@H](Cc1ccccc1)C(=O)N1CCN(C(=O)C(F)=C(C)C)C[C@H]1CO
|
CCOC(=O)CNC(=O)N1CC[C@H](NC(=O)[C@@H](C)Sc2ccccn2)C(C)(C)C1
|
COC(=O)C[C@@H](C(=O)N1CC(F)(CNC(=O)[C@]23C[C@H]2Cc2c[nH]nc23)C1)N(C)C
|
Cc1cccc(O)c1C(=O)N1CC(OCCNC(=O)CCc2ccon2)C1
|
O=C(CC(=O)N1CCC[C@H]1CN(C(=O)[C@@H](F)CC1CCC1)C1CC1)NCC1CC1
|
Cc1ccccc1C1(C(=O)N[C@@H](C)CN(C)C(=O)[C@@](C)(O)C2CC2)CCCC1
|
CCn1nccc1C=CC(=O)N1CC[C@@H]1CNC(=O)C1CCC1
|
CO[C@H](C(=O)NCc1nc(O)ccc1C)C1CN(C(=O)[C@]23CCC[C@H]2OCC3)C1
|
C[C@H](Sc1ccccc1)C(=O)N1C[C@H](CNC(=O)[C@H]2C[C@H](N=[N+]=[N-])C2)[C@@H](C)C1
|
Cc1nn(C)c(C)c1S(=O)(=O)N1CCN(C(=O)Nc2cccc(F)c2C)CC1
|
Cc1nc2ccccn2c1C(=O)N[C@@H]1CCN(C(=O)C(=O)C2CC2)C[C@H]1O
|
COCCCC(=O)NCCC1CC(NC(=O)c2cc(C3CCC3)no2)C1
|
N#Cc1ccc(N2CCN(C(=O)c3csc(N4CCNCC4)n3)CC2)cn1
|
C=CCCCC(C)(C)C(=O)N[C@@H]1[C@H]2C[C@@H]1N(C(=O)CCCCCC#N)C2
|
CCn1cccc1C(=O)N[C@@H](CCC1CC1)C(=O)NC[C@@H]1OC(=O)CC1(C)C
|
CCOc1ccc(NC(=O)CN(C(=O)[C@@H](C)c2ccccc2)C2CC2)cc1
|
C[C@@H](NC(=NCC1CC1)NC[C@@H]1CCC=CO1)c1cccc(C2CC2)c1
|
CCCCCCC[C@@H](O)C(F)(F)C(=O)NCCN(C)C(=O)C(C)(C)CCOC
|
CC1(C)CN(C(=O)Cc2cccs2)[C@@H](CNC(=O)c2c[nH]nc2S(N)(=O)=O)CO1
|
COc1ncc(-c2cn([C@@H]3CN(C(=O)CCSC4CCCC4)C[C@H]3SC)nn2)s1
|
CS[C@H](C)CCC(=O)NCCCNC(=O)c1cnc(O)c(Cl)c1
|
CC(C)(C)/C=C/C(=O)N1CCC(CC(=O)NOC[C@H]2C[C@H]3C=C[C@@H]2C3)CC1
|
CN(CCCCCC(=O)N(C)OCc1ccccc1)C(=O)c1cnc(=N)[nH]c1
|
CN1CC[C@@](NC(=O)CCCCC2CC2)(C(=O)N[C@@H]2CN3CCC2(F)CC3)C1
|
C[C@@H]1CCc2nc(N3CCN(CCF)CC3)[nH]c(=NC3CC(C(N)=O)C3)c2C1
|
C[C@H]1C[C@@H](CCNC(=O)c2ccncc2O)CCN1C(=O)CCCN(C)C
|
Cc1ccc(CC(=O)NCCCCCCNC(=O)Cn2nnc(=N)[nH]2)c(Cl)n1
|
CCCCOCC(=O)NC[C@]1(O)CCN(C(=O)c2cc(F)c(O)c(Cl)c2)C1
|
Cc1cccc([C@H]2[C@H](C)CN2C(=O)CS(=O)(=O)N2CCCCC2)c1
|
C=CCNC(=O)[C@@H]1CN(C(=O)c2ncc(C)cc2F)C[C@H](C)O1
|
COC[C@@](C)(O)C(=O)N1CC[C@](C)(NC(=O)Cc2c(O)ncnc2O)C1
|
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