smiles stringlengths 6 131 |
|---|
C[C@@H](O)c1cn(CC(=O)N(C)C[C@@H]2CCCN2C(=O)[C@H]2CC[C@H]3C[C@H]3CC2)nn1 |
CC[C@@H](CN(C)C(=O)[C@H]1CCC[C@H]1NC(=O)C1(CC)CCCCC1)OC |
Cc1ccc(C(=O)NC[C@@H](NC(=O)Cn2cnnn2)C(C)C)c2c1CCC2 |
CCC[C@H]1CCCN1C(=O)[C@H](CC(C)C)N(C)C(=O)c1cc(C)nn1CC |
Cn1cncc1CCC(=O)NC[C@@H]1CC[C@H]1NC(=O)COc1ccc(Br)cc1 |
O=C(NC[C@H]1C=CCN1C(=O)c1ncc2cc(Br)ccc2n1)c1cscn1 |
C[C@H]1C[C@H](NC(=O)c2n[nH]c3c2CN(C(=O)CN(C)C2CC2)C3)CC(C)(C)C1 |
CC(C)(C#N)CNC(=O)[C@H]1CCOCCN1C(=O)[C@H]1CCC1(F)F |
CC(C)[C@H](CCN(C)C(=O)C[C@@H]1C[C@H](O)C12CCC2)NC(=O)C1=C[C@@H]2CCC[C@H]12 |
CCOCCCC(=O)N1CC[C@@H](NC(=O)[C@@H]2CCc3nnnn3C2)C[C@@H](O)C1 |
CCOc1ccc(-n2ncc(C(=O)O[C@H]3CCCC34CCOCC4)c2C)nn1 |
C=CC[C@@H](C)C(=O)N[C@H](CN=c1nc2c(c[nH]1)ncn2C)CC(C)C |
Cc1ccc(C)c(C(=O)N(C)CCCCCNC(=O)c2cccc(=S)n2O)c1C |
CC[C@@H](CC(=O)N[C@@H](C)[C@@H](CO)NC(=O)[C@@H]1C[C@H]2CCC[C@H](C2)C1)C(C)C |
Oc1cc(F)c(CN2CCO[C@H](c3ncno3)C2)c(F)c1 |
CC(C)CCOCC(=O)N[C@H](CC1CC1)C(=O)N[C@@H](C)c1c[nH]ccc1=O |
COCCCC(=O)N1[C@@H]2CN(C(=O)c3ccc(SC(F)(F)F)s3)C[C@@H]2C[C@H]1C |
Cc1cccc(NS(=O)(=O)c2cnc(=N)[nH]c2)c1C(N)=O |
C=C[C@@H](C)CC(=O)NC[C@H](C)NC(=O)CCCc1cccnc1 |
C[C@@H]1OCCC[C@@H]1c1nc(-c2ccco2)nn1C1CCC(F)(F)CC1 |
Cc1cccc(CCC(=O)N2CCC[C@@H](NC(=O)c3cn(C)nn3)C2)c1 |
CC(C)C[C@@H]1CN(C(=O)[C@@H](NC(=O)Cc2cc[nH]c2)[C@@H](C)O)CCO1 |
CC[C@@H](C(=O)N[C@H](CO)CCCCNC(=O)Cc1nonc1C)C(C)C |
CN1N=C2C=C(Br)C=CC2=C1C(=O)NC1CCCC1C(N)=O |
Cc1c(Cl)cccc1OCC(=O)N[C@@H](C)C1CN(C(=O)c2cc3sccc3[nH]2)C1 |
O=C(N[C@H]1CCOC[C@H]1C(=O)NCCOC1CCCCC1)c1ccc(O)cc1F |
Cc1ccc(C(F)(F)C(=O)NCC[C@H]2CCNCC2(F)F)nc1 |
CC[C@@H](C(=O)NC[C@H](F)CNC(=O)c1ccc(C)c(OC)c1)n1cccn1 |
Cc1nc[nH]c1C(=O)N1[C@H]2CC[C@H]1CC(c1cn(C[C@H]3[C@H](C)C3(F)F)nn1)C2 |
COC(C)(C)[C@H](C)NC(=O)[C@]1(NC(=O)c2ccc(C)nc2O)CCN(C)C1 |
O=C(NCCCN(Cc1ccccc1Br)C1CC1)C1(c2ccccc2F)CCC1 |
COC[C@@]1(C(=O)NCC2(CSC)CC(F)(F)C2)CCCN(C(=O)OC(C)(C)C)C1 |
CCOC(=O)C[C@H](C)NC(=O)C(C)(C)[C@H](C)NC(=O)c1cc(C)cc(C)c1 |
CCc1ccc(C(=O)N2CC[C@@H](NC(=O)c3cc(Cl)ns3)[C@@H]2c2ccccc2)[nH]1 |
C[C@@H](NC(=O)C[C@H]1C[C@H](F)CN1C(=O)[C@H]1COC(=O)N1)C1(O)CCC1 |
CN(C)C(=O)COc1cccc(C(=O)NCC(C)(C)NC(=O)COC(C)(C)C)c1 |
C[C@@H](CC#N)NC(=O)[C@H]1CC2(CC2)CN1C(=O)C1(O)CCOCC1 |
O=[N+]([O-])c1ccc2[nH]nc(CN3CCn4c(nnc4-c4cncc(Br)c4)C3)c2c1 |
COc1cc(NNC(=O)c2cc3c(n2C)CCOC3)ncn1 |
COC(=O)[C@H]1CCN1C(=O)[C@H]1CCN(C(=O)[C@@]2(C)CCCS2)C[C@H]1O |
CS(=O)(=O)[C@H](CNC(=O)CC[C@H]1CC1(F)F)CNC(=O)C1(Cl)CCC1 |
C=CC1(C(=O)N[C@@H]2CCOC[C@H]2C(=O)N(C)C[C@H]2CC2(F)F)CCCC1 |
Cc1nccc(C(=O)N[C@@H]2CCN(C(=O)c3c(C)oc(C)c3C)CC(C)(C)C2)n1 |
O=C1NCCN1CCN[C@]1(c2nnnn2-c2ccc(F)cc2)CC[C@H]2C[C@H]21 |
Cc1ccc(C(=O)N[C@@H]2CCCN(C(=O)c3cnnc(O)c3)[C@@H]2C)nc1C |
Cc1ccc(C(=O)N2C[C@H](C)N(C(=O)c3cc([N+](=O)[O-])nn3C)C[C@H]2C)c(C)c1 |
O=C(Cc1c[nH]nc1O)N[C@H]1CC[C@@H]1NC(=O)c1ccc(CF)cc1 |
CN(Cc1cnc[nH]1)C(=O)C1(N(C)C(=O)c2cn(C)nn2)CC1 |
COC(=O)[C@@H]1CN(C(=O)NCCc2cccc(Cl)c2Br)CC(OC)(OC)C1 |
COc1c[nH]nc1C(=O)N1CCC[C@](O)(CNC(=O)[C@@]2(C)CCCC2(F)F)C1 |
Cc1cc(C)c(CC(=O)N2CC(O)([C@H]3CCCN3C(=O)CS(C)(=O)=O)C2)c(C)c1 |
CC(C)(C)OC(=O)N[C@@H](CO)C(=O)N1CC[C@H]2CN(C(=O)[C@H]3CCCS3)CC[C@H]21 |
Cc1ccc(C(=O)N(CCNC(=O)CC2CC3(CCC3)C2)C2CCCC2)cc1C |
CCN(CC(=O)N1CC[C@H]([C@@H]2CCCN2C(=O)c2n[nH]c(=N)[nH]2)C1)C1CC1 |
CN(Cc1cccs1)c1nc2cccnc2c(=NCCC23CC(CCO2)C3)[nH]1 |
C[C@H](NC(=O)C[C@@H](O)CC(C)(C)C)C1(C(=O)N[C@@H]2CCN(C3CC3)C2)CC1 |
CC(=O)N(C)CCC(=O)N[C@H](CC(=O)O)Cc1cn(CCCCCO)nn1 |
COc1cnc(C(F)(F)F)cc1C(=O)N1CC[C@H](CN(C)C(=O)CSC2CC2)C1 |
Cc1ncoc1C(=O)N1CC2(NC(=O)CSc3ccccc3)CCC1CC2 |
CCOc1cc(F)cc(C(=O)NC[C@@H](CO)NC(=O)C[C@@H]2CCCC[C@H]2O)c1 |
O=C(NCCN1CCN(C[C@H]2C[C@H](CO)CO2)CC1)c1ccco1 |
C[C@H](CNC(=O)[C@@H]1C=CCC1)CN(C)C(=O)c1cccc(S(C)(=O)=O)c1 |
Cc1cc(CC(=O)NC2(CCCC(=O)N3CCC[C@@H](C)[C@H]3C)CCC2)nn1C |
O=C([C@H]1[C@H](C2CC2)CCN1C(=O)c1cc(Cl)n[nH]1)N1CCCCCC1 |
COC(=O)CN(CC(F)F)[C@H](CC[C@H]1C[C@H]1C)C(=O)NCc1ccco1 |
Cc1cccc(CC(=O)N[C@@]23CC[C@@](CNC(=O)c4cccc(N)n4)(C2)OC3)c1 |
CCCC[C@@H](CNC(=O)C1=NOC2(CCC2)C1)NC(=O)[C@@H](C)C(C)C |
Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2CC[C@@H]1[C@@H]2NC(=O)CCC=CBr |
C[C@@H](Nc1[nH]c(=NC2CC(CCF)C2)nc2c1cnn2C)c1ccc(F)c(Cl)c1 |
CCC[C@@H](OCC)C(=O)N[C@@H]1CN(C(=O)C(=O)NCCC(N)=O)CC1(C)C |
C#CC(C)(C)NC(=O)C1(OC)CCN(c2cnc(C(=O)O)cn2)CC1 |
C[C@@H]1CN(C(=O)[C@H](C)C2CCOCC2)C[C@@H]1CN=c1ccn2nccc2[nH]1 |
C[C@@H](CO)n1cc(CC[C@@H](NC(=O)c2ccsn2)C(=O)O)nn1 |
CCN(CC)CC(=O)NC[C@@H]1C[C@H]1CNC(=O)c1cc(F)ccc1C |
CC=CCCC(=O)N(C)CCOCCCN(C)C(=O)[C@@]1(C)CCC(=O)C1 |
CC(C)[C@](C)(CNC(=O)c1cc(C(N)=O)cs1)NC(=O)[C@@H](C1CC1)N1CCCC1 |
CCN(C)[C@H]1C[C@@H](C(=O)N2CC[C@]3(C(=O)N[C@@H](CO)COC)CCC[C@H]23)C1 |
CN1C[C@@H](O)CC[C@H]1C(=O)NC1CC(C)(C(=O)N2CCC(C)(O)CC2)C1 |
CCC=C(F)C(=O)NC[C@@H](NC(=O)CCc1ccc(C)s1)c1cc(F)cc(Cl)c1 |
CC(C)[C@@H](O)Cc1cn([C@H]2C[C@@H](NC(=O)c3sc4ccccc4c3Br)C2)nn1 |
N#Cc1ncc(C(=O)NCC2(NC(=O)c3ccnc4ccsc34)CC2)s1 |
C=CCC1(NC(=O)c2ccc(C3(C)CC3)cc2)CN(C(=O)[C@H](O)CC)C1 |
CCC(C)(C)C(=O)N[C@H]1CCCC[C@H]1CC(=O)N1CC[C@@H](CCOC)C1 |
CC(=O)c1ccsc1C(=O)NCCN(C[C@@H](C)O)C(=O)c1ccccc1F |
COc1cc2[nH]ncc2cc1C(=O)NC[C@H]1C[C@H](CO)CO1 |
CO[C@H](CN=c1nc(N(C)CC(F)(F)Br)c2ccccc2[nH]1)C(C)C |
Cc1cc(C(=O)N2CC[C@]3(CNC(=O)[C@@H]4CCCCC4(F)F)CCCC[C@@H]23)c[nH]1 |
O=C(NC[C@H]1CCC[C@H]1C(=O)N1CCCCCO1)c1ccn(C(F)F)n1 |
Nc1ccc(C(=O)NC[C@@H](NC(=O)C2C[C@H]3CC(O)C[C@H](C2)C3)C2CC2)c(Cl)c1 |
O=C(Nc1ccc(OC(F)(F)F)cc1Cl)C(=O)N[C@@H]1C[C@H]2[C@@H]1C[C@H](O)[C@@H]2O |
CC(C)[C@H](C)[C@@H](CNC(=O)c1csc(Cl)c1)NC(=O)Cc1cc(F)c(N)cc1F |
CCc1cnc(N2CC[C@H](N(C)C(=O)c3sc(C)nc3CC)C2)nc1 |
O=C(C1=COCCC1)N1C[C@@H]2CCN(C(=O)c3ccc(Cl)c4c3OCCO4)[C@@H]2C1 |
C#C[C@H]1C[C@H]1C(=O)N[C@H]1C[C@@H](NC(=O)[C@@H]2CCCN(S(=O)(=O)C(F)(F)F)C2)C1 |
COC[C@@H](NC(=O)OC(C)(C)C)C(=O)N1C[C@H]2C[C@H]1C[C@@H]2NC(=O)[C@@H](C)Br |
NS(=O)(=O)NCC(=O)N1CCCCC[C@H]1CNC(=O)CC(=O)NCC(F)(F)F |
COc1ccc(CN2CCC[C@@]2(C)C(=O)Nc2cc(C)no2)cc1OC(C)=O |
CN(C[C@@H]1CCn2ccnc2C1)C(=O)[C@]1(O)CN2CCC1CC2 |
C[C@H](N)C1(CNC(=O)C(=O)Nc2cc(-c3ccccc3)ns2)CC1 |
O=C(CCn1cc(-c2cc([N+](=O)[O-])ccc2Cl)nn1)N1C[C@H]2C[C@@H]3C[C@H]1[C@@H]2C3 |
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