smiles stringlengths 6 131 |
|---|
CC[C@@H](CC(=O)N1CC(C)(C(=O)N2CC[C@]3(CCSC3)C2)C1)CC(C)C |
CCN(C(=O)Cc1nocc1C)[C@@H]1CCN(C(=O)Cc2coc(C(F)F)n2)C1 |
CCN(CCNC(=O)c1cc(N(C)C)ccc1F)C(=O)CCc1ccc(N)cn1 |
COCCCCC(=O)N1CCC[C@@]1(C)C(=O)NCC[C@@H](O)C1CCC1 |
CC(C)Oc1ccccc1CC(=O)NC12CC(NC(=O)[C@@H](C)C(C)C)(C1)C2 |
COc1csc(-c2ccc3cc(C(=O)N[C@H]4CC4(F)F)[nH]c3c2)c1 |
C[C@H](C(=O)N1CC(CN(C)C(=O)c2ccnnc2Cl)C1)S(C)(=O)=O |
C#C[C@@H]1C[C@H]2CC[C@H]1N(C(=O)[C@H](CC=C)CNC(=O)COc1ccsc1)C2 |
CC(C)Nc1cccc(C(=O)N2CC3(CC3)C[C@H]2CNC(=O)C2=CCCCO2)c1 |
CC[C@@H](NC(=O)[C@H]1[C@H](C)CCN1C(=O)c1cc2cccnc2[nH]1)C1CC1 |
Cc1cccc(C)c1CC(=O)N1CCCC(C)(C)[C@H]1CNC(=O)C1(F)CCC1 |
CCn1cc(C(=O)N[C@@H](CNC(=O)C=Cc2cocn2)c2ccccc2)cn1 |
Cc1cc(CN=C(NCc2noc(C)n2)NC[C@]2(C)C[C@H]2c2ccccc2)no1 |
CCC1(C(=O)N[C@@H]2CCC[C@H]3CN(C(=O)C4(Cc5ccccc5)CC4)C[C@H]32)CC1 |
C=C[C@H](CC)C(=O)N1C[C@@]23CCC[C@]2(CN(C(=O)COC2CCCC2)C3)C1 |
O=C(c1csc(CO)n1)N1CCN([C@@H]2CCN(C(=O)C3(F)CC=CC3)C2)CC1 |
Cc1ncc(C(=O)N2CCC[C@@](C)(C(=O)N3CC(=O)N(C)C(=O)C3)C2)c(=N)[nH]1 |
CC(=CC(=O)N[C@H]1COC[C@H]1NC(=O)C12CC(C1)S(=O)(=O)C2)c1cccs1 |
O=C(Cc1ccc(Br)c(Cl)c1F)NNc1ncnc(C2CC2)c1Br |
O=C(N[C@@H]1CCN(C(=O)CSCc2ccccn2)C1)c1nccc2[nH]ccc12 |
Cc1ncc(CC(=O)N2C[C@H](F)[C@H](NC(=O)CC(F)(F)C(F)F)C2)s1 |
CCOC(=O)[C@@H](CC)SCc1c(C(=O)OC)oc2ccccc12 |
C#CCCN=C(NCCc1ccc(F)cc1F)N1CC[C@@H](C2CCC2)C1 |
CC(C)[C@H](NC(=O)c1cc(C(F)(F)F)ncn1)c1cn(CCCC(=O)O)nn1 |
O=C(CC1CN(C(=O)/C=C/c2cnc[nH]2)C1)NCc1ccc(F)cn1 |
Cc1nc(-c2ncc[nH]2)sc1C(=O)N1CCOC[C@H]1CNC(=O)C12CCC1CC2 |
CC1CCN(CCC(=O)N2CCO[C@@H]3CCN(C(=O)/C=C/C(C)(C)C)C[C@@H]32)CC1 |
O=C([C@H]1C[C@](O)(c2ccccc2Cl)C1)N1CCCC2(C1)N=N2 |
CCCCCC[C@@H](C)C(=O)NC12CCC(NC(=O)[C@H](C)OCCC(C)C)(CC1)C2 |
CCCC1CN(C(=O)c2ncoc2CNC(=O)[C@H]2CCNC2=O)C1 |
O=C(CC1(O)CC1)NCC[C@H]1CN(C(=O)[C@@H]2CC(C3CCOCC3)=NO2)CCO1 |
CCOC(=O)[C@H]1CCCN(C(=O)COc2cc(NC(C)=O)c(Br)cc2Br)C1 |
C/C=C/C[C@@H](CC)C(=O)NC[C@@H]1CC[C@@H]1NC(=O)c1nc2ccc(Br)cn2n1 |
Cc1conc1C(=O)N1CC(OC2CCN(C(=O)CN3CC[C@](C)(O)C3)CC2)C1 |
CCO[C@@H](CNC(=O)[C@]1(OC)CCN(C(=O)C2CC(F)(F)C2)C1)C1CCC1 |
CN(CCCOCCNC(=O)C1C[C@@H]2C[C@H]2C1)C(=O)[C@@]1(C)Cc2ccccc2N1 |
CC(=O)c1cn(CC(=O)N2C[C@H]3CC[C@H]2CN3C(=O)c2cc(C)nnc2O)nn1 |
COc1cc(C(=O)NCCCC(C)(C)NC(=O)c2oc(CO)nc2C)ccc1C |
O=C(NCCOC1CN(C(=O)[C@H]2CC[C@H]([N+](=O)[O-])CC2)C1)[C@@H]1CC12CC(O)C2 |
O=C([C@H](F)OC(F)(F)F)N1CCC[C@H]1C1(C(=O)N2Cc3ccccc3C2)CC1 |
CN(C)c1ccc(C=CC(=O)N2CC=C[C@@H]2CNC(=O)C(=O)NCC2CC2)cc1 |
CC[C@H](CC(=O)NC[C@H]1CCN(C2CC2)C1)NC(=O)CC1CCSCC1 |
Cc1cc(C(=O)NCCC[C@@H]2CCCCN2C(=O)c2cnc(S)[nH]2)c(O)c(C)n1 |
Nc1nonc1C(=O)N[C@H]1CC[C@H](NC(=O)CCc2c(Cl)cccc2Cl)C1 |
COc1ccnc(C(=O)N2CCC[C@H]([C@@H]3CCCN3C(=O)/C=C/C(C)C)C2)c1F |
C=C(C)C[C@H](NC(=O)CC1CC(C)C1)C(=O)NCC(=O)NC1CCC1 |
C[C@H](NC(=O)[C@@H]1CN(C)C(=O)N1)[C@@]1(O)CCN(C(=O)[C@@]2(C)CCC(=O)C2)C1 |
CCCc1[nH]ccc1C(=O)NC[C@H](C1CC1)N(C)C(=O)c1cccnc1 |
COCC1(NC(=O)[C@@H]2C[C@H]2C(C)C)CCN(C(=O)Cn2cc([N+](=O)[O-])cn2)CC1 |
CC[C@H](C)[C@@H](C)C(=O)N1CC[C@@H](C)N(C(=O)c2ccccc2N=NN(C)C)CC1 |
CCNC(=O)c1ccc(-c2cncnc2C(=O)N[C@H](C(=O)OC)[C@@H](C)O)c(F)c1 |
CCCCS(=O)(=O)CC(=O)N1CCC(CNC(=O)CC[C@]2(C)CCC(=O)N2)CC1 |
CC[C@@]1(C(=O)NCC2(CN(C)C(=O)c3cnc(CO)nc3C)CC2)CCNC1=O |
O=C(NC1CN(C(=O)c2cc3c(=O)[nH]ccn3n2)C1)[C@@H]1C[C@@H](F)C(=O)N1 |
C[C@H](CCCNC(=O)C[C@H]1CCOC1)NC(=O)c1csc(CC(F)F)n1 |
COc1cc(N2CC[C@@H](NC(=O)[C@H]3C=C3C)C2)c([N+](=O)[O-])cc1OC |
C=C[C@@H](O)C(=O)N1CCC[C@](CO)(NC(=O)c2cc(-c3ccccc3F)[nH]n2)C1 |
CCCC(O)(CCC)CC(=O)N1CCCN(C(=O)[C@@]2(COC)CCC(=O)N2)CC1 |
CN(CC(C)(C)NC(=O)C[C@H]1CCSC1)C(=O)C=Cc1cncn1C |
CC(C)=CCCC(=O)N[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CN3CCN2C[C@@H]3C)C1 |
COc1cncc(-c2cn([C@H]3C[C@@H](NC(=O)C4C[C@@H](C)C[C@H](C)C4)C3)nn2)c1 |
Cc1c(C(=O)N2C[C@H]3C[C@@]3(NC(=O)[C@@H]3CCC4(CC4)C3)C2)cccc1S(N)(=O)=O |
CC(C)C[C@H](C#N)NC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 |
Cc1cc(F)ccc1-n1ccc(C(=O)N2CC[C@H]2CNC(=O)C[C@H](C)C(C)C)n1 |
C=C1CC(C(=O)N2CCC[C@@H](NC(=O)[C@]34C[C@H]3CN(Cc3ccccc3)C4)C2)C1 |
C[C@H]1CN(C(=O)C2CCCC2)C[C@H]1NC(=O)c1cnn(C(F)(F)F)c1 |
COC1CCC(C(=O)N(C)CCCCCNC(=O)[C@@H]2CCc3c[nH]nc3C2)CC1 |
Cc1nc(CSCC(=O)N(C)CCCN(C)C(=O)[C@@]2(Cl)CC2(C)C)cs1 |
CC[C@H](CC(=O)N1C[C@@H]2C[C@H]1[C@@H]2NC(=O)CCOc1cc(F)cc(F)c1)C1CC1 |
C=CC[C@]1(NC(=O)C[C@@H]2CCS(=O)(=O)C2)CCCN(C(=O)[C@@H]2CCC[C@@H]3C[C@H]32)C1 |
O=C1NC[C@@H](C(=O)N[C@H]2COC3(CCN(C(=O)C(=O)c4ccco4)CC3)C2)O1 |
CCc1cscc1C(=O)NCc1nnn(C)c1C(=O)N1CCC[C@H](C)[C@H]1C |
Nc1c(Cl)cc(Cl)cc1C(=O)NCCCCNC(=O)CCN1CCOCC1 |
CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C(=O)N1CCN(Cc2cn[nH]c2)[C@@H]2C[C@H]21 |
COc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)N3C(=O)[C@@]2(OC)CCSC2)cc1Cl |
CC(C)(C)[C@H]1[C@H](NC(=O)c2cnc(C3CC3)o2)CCN1C(=O)C1CC2(CC2)C1 |
CC(=Cc1ccncc1)C(=O)N1CC[C@H](NC(=O)[C@H]2C[C@@H]3C[C@@H]3C2)C12CCC2 |
CCOc1ccccc1NC(=O)N1C[C@@H]2[C@@H](C1)N2C(=O)Cc1cccc(SC)c1 |
FC(F)(F)C[C@H](Cc1ccccc1)NCCCOc1cncc(Cl)n1 |
C[C@@H](C#N)C(=O)NC[C@@H]1CC[C@@H]1NC(=O)COCc1nccn1C |
C[C@@H](CNC(=O)c1c[nH]c(=O)cn1)N(C)C(=O)[C@@H]1CC[C@H](C(F)(F)F)O1 |
COc1nc(Cl)ccc1C(=O)N1CCC[C@H]2CN(C(=O)[C@@H]3C[C@@H]3C)C[C@H]21 |
CCS(=O)(=O)CC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)c1cc(N)cnc1C |
CO[C@@H](CN(C)c1ccc(S(=O)(=O)N[C@]2(C)CC2(C)C)cc1Cl)C1CCC1 |
CCc1cnoc1C(=O)N(C)C1(CC(=O)N2CC[C@@](C)(C(N)=O)C2)CC1 |
C[C@@H](CNC(=O)CC1CC(C)(C)C1)CNC(=O)c1cscc1C1CC1 |
CN(C)c1cc(CN2C(=O)CCN(CC[C@@H]3CC[C@H]4C[C@H]34)C2=O)ccn1 |
CCN(C(=O)CNS(N)(=O)=O)[C@@H]1CCN(C(=O)c2cccc3cnnc(O)c23)C1 |
CNC(=O)OCCCNC(=O)C[C@]12CC[C@H]1CN(C(=O)c1ccc(C)c(C)n1)C2 |
CCOc1cc(/C=C/C(=O)NC[C@@H]2C[C@H](F)CN2C(=O)[C@@H]2C[C@H]2C)ccc1OC |
CCC1(C(=O)N[C@H]2C[C@@H]2C(F)(F)F)CN(C(=O)c2cc(C)ccc2F)C1 |
CN(C(=O)Cc1cc(Cl)cc(Cl)c1)[C@@H]1CC[C@@H](NC(=O)C2(CF)CCOCC2)C1 |
N#Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc3c(c2)OCO3)c(F)c1 |
C[C@H](C#N)C(=O)N(C)CCCOCCNC(=O)[C@@H]1CCCCc2ccccc21 |
Cc1ccc(F)c(C(=O)NC2(CNC(=O)[C@@H]3CC34CC4)CCCCC2)n1 |
O=C(CC1(O)CCC1)NC[C@@]12CC[C@H]1CCN2C(=O)CCN1CCCC1=O |
COCC[C@H](C)C(=O)NCCC(C)(C)NC(=O)c1cc(O)nc2cnccc12 |
NC(=O)CCCC(=O)N1CCC2(CCOCC2)[C@@H](NC(=O)CO[C@H]2CCOC2)C1 |
COc1c(F)cccc1C(=O)N1CCC[C@@H](CN(C)C(=O)[C@@H]2CCC[C@H]2CF)C1 |
CC(C)C1(C(=O)NC[C@@H](CO)NC(=O)CN2CCCC2=O)CCC1 |
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