smiles
stringlengths 6
131
|
|---|
CCN(CC)C(=O)CCC(=O)NC[C@H](C)NC(=O)CC1=NNC(=O)C1
|
COCc1cc[nH]c1C(=O)NCCCN(C)C(=O)c1cnc(N(C)C)nc1
|
Cc1ccnc(C(F)(F)C(=O)N[C@@H]2C[C@@H](O)CN(C(=O)C(C3CC3)C3CC3)C2)c1
|
Cn1nc(C(=O)N2CCN(C(=O)[C@@H](CO)NC(N)=O)C3(CCC3)C2)c(Cl)c1Cl
|
C[C@@H]1CN(C)C[C@@H](C(=O)N2CCO[C@@H](CN(C)C(=O)c3cc(Cl)on3)C2)O1
|
O=C(N[C@H]1C[C@H](NC(=O)[C@H]2CCCCO2)C1)c1cccc(N=S2(=O)CCCC2)c1
|
CCc1c[nH]cc1C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)C1(COC)CCCCC1)C2
|
CN1CCN(C(=O)Cc2cccc(N)c2)[C@H](CNC(=O)c2cn(C)ccc2=O)C1
|
CCc1cc(C(=O)N[C@@H]2C[C@H](CNC(=O)CCCCOC)C[C@H]2O)oc1CC
|
CSCC[C@@H](O)C(=O)N1CC2(C)CC1(C(=O)Nc1cn(C)nc1C(N)=O)C2
|
CSc1cccc(C(=O)N2CC[C@@](C)(NC(=O)[C@@H](CN(C)C)C(C)C)C2)c1Cl
|
Cc1cc(C)c(C(=O)N2CC(CO)(NC(=O)[C@@H](C)C(C)C)C2)c(C)n1
|
COC(=O)c1c(NC(=O)COc2ccc(Cl)c(C)c2)sc2c1CCCC2=O
|
COc1ccccc1O[C@@H](C)C(=O)NC1(C)CN(C(=O)C2(C)COC(=O)OC2)C1
|
CCN(C(=O)COc1ccsn1)[C@H]1CCN(C(=O)[C@H]2COCCO2)C1
|
CC(C)[C@@]1(C2CC2)NC(=O)N(Cc2cc(Cl)cc3cccnc23)C1=O
|
C[C@@H]1C[C@@H](C(=O)N2CCCC3(CC(NC(=O)c4cc[n+]([O-])cc4)C3)C2)CCO1
|
CN(CCCCNC(=O)[C@H]1CC2(CCCCC2)CO1)C(=O)[C@@H]1CCCC(F)(F)C1
|
CN(C(=O)c1cc(C#N)c[nH]1)[C@@H]1CCCCN(C(=O)[C@@H]2OCCC2(C)C)C1
|
CNS(=O)(=O)CCC(=O)N1CCO[C@](C)(CNC(=O)[C@H]2CCC[C@H]2OC)C1
|
CC[C@H](Nc1cc(NCC[C@]23CCC[C@H]2C3)ncn1)c1ncccn1
|
COc1cc(CN2C[C@@H](C)C[C@H]2C(=O)N[C@@H](C)c2ccno2)ccc1I
|
C[C@@H]1CN(Cc2ccccc2)C[C@@H]1CNC(=O)C(=O)N1C[C@@H]2OCO[C@@H]2C1
|
CCn1ccnc1C=CC(=O)N(C)C[C@@H](C)N(C)C(=O)c1nccc(Cl)c1C
|
Cc1ccsc1C=CC(=O)N1CC(C)(NC(=O)c2snc(C)c2N)C1
|
CC(C)[C@H](CC1CCCCC1)C(=O)N1CC[C@@H](C)[C@H](NC(=O)c2ncn(C)n2)C1
|
CCCC=C(CC)C(=O)NCCC1CC(C(=O)N[C@H](C)C2(O)CCC2)C1
|
CC[C@@H]1CCN(C(=O)c2cnncc2NC)[C@H]1C(=O)N(C)OC
|
CC[C@@H](C(=O)NCC1(F)CCN(C(=O)C2(C)CCC(C)CC2)CC1)C(C)(C)CC
|
CC[C@H](C)C(=O)NCC(=O)N1CC(C)(OCC(=O)NC[C@@H](C)CC(F)(F)F)C1
|
C=CCOCC(=O)N(C)C[C@@H]1CN(C(=O)C(=Cc2ccccc2)OC)CC12CC2
|
C[C@@H](CC(=O)N[C@@H]1[C@@H]2CC[C@H]1N(C(=O)C1=CCC1)C2)NC(N)=O
|
COCC1(NC(=O)C2[C@H]3CCCCCC[C@H]23)CN(C(=O)c2cc(Cl)ccn2)C1
|
C=CCO[C@H](C)C(=O)N[C@@H](C)CC1CCN(C(=O)c2ccc([N+](=O)[O-])n2C)CC1
|
CN(C)C[C@@H]1COCCN1C(=O)c1nn(-c2ccccc2)c(=O)nc1O
|
CCP(=O)(CC)c1ccccc1C(=O)NCCCN(C)C(=O)C1(C(C)C)CC1
|
CCc1cccc(C)c1C(=O)N1CCN(C(=O)[C@H](C)C(F)F)[C@H](CS(C)(=O)=O)C1
|
CCN(CC(C)(C)CNC(=O)c1cncc(N)n1)C(=O)c1csc(C)n1
|
CC[C@H]1CC[C@H](C(=O)N[C@]2(CF)CCN(C(=O)c3cc(F)c(F)cc3F)C2)CC1
|
COC(=O)CC[C@H](C)S(=O)(=O)N[C@@H](C)c1ccncc1
|
C[C@@H]1[C@H](C(=O)N[C@H]2CC23CC(NC(=O)CCCc2nc4ccccc4[nH]2)C3)[C@@H]1C
|
CCOC1(C(=O)N[C@@H]2COC[C@@H]2NC(=O)[C@H](C)NC(=O)NC)CCCC1
|
CCO[C@H](C(=O)N1CC[C@H](CC(=O)N2CCC[C@H]2C)C1(C)C)C1CCC1
|
C[C@@](O)(C(=O)N[C@H]1C[C@@H](CNC(=O)C[C@H]2CCc3sccc3C2=O)C1)C1CCC1
|
C[C@@H](C[C@@H](C)NC(=O)c1c(O)cc(Cl)cc1F)NC(=O)c1ncoc1C1CC1
|
CC(C)Oc1cccc(CN2CCN(C(=O)c3cncc(N)c3)CC2(C)C)c1
|
COC(C)(C)CC(=O)N[C@H]1C[C@@H](NC(=O)c2cc(-c3ccc(Cl)cc3)no2)C1
|
N#Cc1ccc(C(=O)N2CC[C@@H]3C[C@H](NC(=O)c4cn[nH]c4)CC[C@H]3C2)[nH]1
|
CCc1ccc(F)cc1C(=O)NC[C@H](O)CNC(=O)[C@@H](OC)C1CCC1
|
CN(C)CCC1(C(=O)NC[C@H]2COCCN2C(=O)[C@H]2CCCS(=O)(=O)C2)CC1
|
CC(C)[C@@H](C)CC(=O)N[C@H]1[C@H]2C[C@@H]3[C@H]1[C@@H]3[C@@H]2C(=O)NC1(CO)CC=CC1
|
C[C@H]1CCCCN1C(=O)Nc1ccnn1CCN(C)C
|
NC(=O)c1ccnc(NC(=O)c2ncccc2NCc2cccc(Br)c2O)c1
|
CC(=CC(=O)N[C@@H]1CCCC[C@@H]1C)CNC(=O)C(C)(C)N=[N+]=[N-]
|
CCOCCCONC(=O)C[C@H]1CCCC[C@H]1NC(=O)C1(O)CC(CF)C1
|
COc1cc(C(=O)N[C@@H](C)[C@@H](CO)NC(=O)C2CCC3(CC2)CC3(F)F)ncn1
|
CCC[C@H](C)C(=O)N1CC[C@H](C)C[C@@H]1C(=O)N(CCC(=O)OC)OC
|
Cc1cc(C)nc(N2CCC(F)(F)[C@H](C(=O)NCc3nc4ccccc4s3)C2)n1
|
CS(=O)(=O)C1CC(C(=O)NCCOCCNC(=O)C[C@@H]2OCc3ncccc32)C1
|
CCS[C@@H](C)c1nc([C@@H]2Cc3ccccc3C2(C)C)n(-c2ccc(Cl)c(F)c2)n1
|
C#CC1(C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)C3(C(F)(F)F)CCOCC3)C2)CCC1
|
CN(C)c1nccc2cc(NC(=O)c3cnc(C4CC4)s3)ccc12
|
CC[C@@H](CC(=O)N1CCC(C)(C(=O)NCc2cc(O)ns2)CC1)C(F)F
|
O=C(COC[C@H]1CCCO1)NCC[C@@]12CC[C@@H](C1)N(C(=O)COC1CC=CC1)C2
|
CN1CC(=O)N(CC(=O)NC[C@H]2CCC[C@@H]2NC(=O)C[C@@H]2CCCOCC2)C1=O
|
CCCCCC[C@H](CC)C(=O)N1CCC[C@@H]1CNC(=O)CCn1nc(C)nc1C
|
CCOC(=O)CC(=O)N1CC[C@@H](NC(=O)[C@H](C)NC(=O)C(C)(C)C)[C@H](F)C1
|
C[C@@H]1O[C@H](C)C[C@@H]1C(=O)N1CC[C@H](CNC(=O)[C@@]2(C3CCCC3)CCNC2=O)C1
|
C#C[C@](C)(NC(=O)C[C@H](NC(=O)[C@H](O)CC1CCCC1)C(F)F)C1CCCC1
|
C[C@@H](CCNC(=O)c1cnc2n(c1=O)CCS2)NC(=O)C1=CCCC(C)(C)C1
|
CC(C)c1ccc(CC(=O)N[C@H]2C[C@@H]2NC(=O)c2cc(C#N)cn2C)cc1
|
C=CCCCC(=O)N1CCN(C(=O)CCNC(=O)CC(C)C)C[C@@H]1C(C)(C)C
|
CCCCCCCN(C)C(=O)[C@@H](C(C)C)[C@H](C)NC(=O)c1csc(CO)n1
|
Cc1ccc(C(=O)NCC[C@H](C)CCNC(=O)COCP(C)(C)=O)s1
|
CCOC(=O)NCCC(=O)NC(CC)(CC)CNC(=O)C1CC2(CCCCO2)C1
|
C#C[C@]1(C)CCN(C(=O)[C@](C)(Br)CC)C1
|
CCOC(=O)C(=O)N1CCC2(CC1)C[C@@H]2C(=O)N[C@@H](C)c1cccs1
|
Cc1ncc2ccc(C(=O)N[C@H]3CS(=O)(=O)C[C@H]3N=c3cc[nH]c(C#N)n3)cn12
|
C=CCn1nnnc1[C@@H](NCCc1cccnc1OC)c1occc1C1CC1
|
CSc1ccc(C(=O)NC[C@H](C)CN(C)C(=O)c2cnn(CC3CCCC3)c2)s1
|
COCCN(CC(C)C)C(=O)C1(CCNC(=O)[C@@H]2C[C@H]2OC(C)(C)C)CC1
|
COc1ccc(C)c(NC(=O)c2cc(CNC(=O)[C@H]3CCCS[C@@H]3C)[nH]n2)c1
|
Cn1ncnc1C(=O)N[C@@H]1C[C@H]2CN(C(=O)c3cccc(NC(N)=O)c3)C[C@@H]21
|
CC(C)(C)CCCCCC(=O)N1C[C@H](O)[C@H](NC(=O)[C@@]2(C)CCCCC2(F)F)C1
|
CC[C@H](C)[C@H](NS(C)(=O)=O)C(=O)N(C)CC1(NC(=O)c2cccc(CO)n2)CC1
|
C=CC[C@@H](NC(=O)CN(C)C(=O)[C@](C)(O)C(F)(F)F)C(=O)OCC
|
COc1ncc(C(=O)N[C@@H]2CN(c3nc(C(C)C)ns3)CCC23CCC3)cn1
|
Cc1noc(C)c1C(=O)N1CCN(C(=O)C2(O)CCC2)CC12CCC2
|
CC1=CC[C@@H](C(=O)N[C@@H]2[C@H]3C[C@@H]2N(C(=O)C2C=CC=CC=C2)C3)CC1
|
C#Cc1nc(C(=O)N2C[C@H]3[C@H](CNC(=O)C45CCCN(CCC4)C5)[C@H]3C2)cs1
|
CCN(CC)C(=O)CCC(=O)NC[C@](C)(NC(=O)CSc1nnnn1C)C(C)C
|
CC[C@@H](O)C(=O)NC[C@@H]1CN(C(=O)c2ccc(N)c(C(F)(F)F)n2)C[C@H]1C
|
CCC[C@H](CNC(=O)[C@H](CO)NC(=O)[C@@H]1CCN(CC)C1)OCC
|
Cc1ccc(F)c(O)c1C(=O)N1CC[C@H](CNC(=O)C2(C)CCCCC2)[C@@H](C)C1
|
O=C(N=c1cc(C2CC2)[nH][nH]1)N1CCOc2ccncc21
|
C=C(C)C(C)(C)C(=O)N1C[C@@H](NC(=O)[C@@H]2CC23CCCCCC3)C2(CC2)C1
|
O=C1NC[C@H]2CN(C(=O)[C@@H]3CCC4(CC4)N3C(=O)C3(C4CC4)CC3)CC[C@@H]12
|
CN=C(NCCOc1ccc(OC)cc1)N[C@@H]1CC12CC(C)(C)C2
|
O=C(NC[C@@H](F)CNC(=O)[C@@H]1C[C@H]1CF)c1ncc(F)cn1
|
C=CCSCC(=O)N1CCC2(CC(NC(=O)c3cc4ccc(F)cc4[nH]3)C2)C1
|
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