smiles stringlengths 6 131 |
|---|
CNc1cnc(C(=O)N2CCCC[C@@H](NC(=O)C[C@@H]3CCOC3)CC2)cn1 |
CC(C)(C)O[C@@H]1C[C@H]1C(=O)N1C[C@@H]2CC[C@H](C1)N2C(=O)c1cncs1 |
CC(C)[C@@H](C)[C@H](C)CC(=O)N1CC(N(C)C(=O)CCn2ccc3cccnc32)C1 |
O=C(C=Cc1ccc(Cl)cc1)NC[C@H]1C[C@H](NC(=O)c2cc3c([nH]2)CCOC3)C1 |
C[C@]1(C(=O)N2[C@H]3CC[C@H]2CN(C(=O)c2cc4cc(Cl)ccn4n2)CC3)C[C@]1(F)Cl |
C#CCC1(C(=O)NCC2(NC(=O)C3CCC(CO)CC3)CCC2)CCC1 |
CN(C[C@H]1CN(C(=O)[C@@H]2C[C@H]3C=C[C@@H]2O3)CC12CC2)C(=O)CC1(CO)CC1 |
C[C@@H](CCNC(=O)C[C@H]1C=CS(=O)(=O)C1)NC(=O)C=CC=C(Cl)Cl |
CCOCC(=O)N1CC(C)(C)[C@@H]1C1CCN(C(=O)[C@@H]2CC(=O)N(C)C2)CC1 |
COc1ncnc(C)c1C(=O)NCCC[C@H](C)NC(=O)[C@H](C)c1cncnc1 |
C[C@H]1CC[C@H]1C(=O)N1CCC[C@@H]1CCC(=O)N1CCC(O)(C2CC2)CC1 |
CSC1(C(=O)N[C@H]2CC[C@@]3(C(C)C)C[C@@H]23)CN(C(=O)[C@@H](C)CC2CCC2)C1 |
Cn1cnc(CCNC(=O)[C@@H](CC(F)F)NC(=O)C[C@H]2CC(=O)NC2=O)n1 |
Cc1nn(-c2ccccc2)nc1CN[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 |
CCOC(=O)CC1(NC(=O)[C@@H]2CN(C(=O)C3=NO[C@H](C)C3)CC2(C)C)CC1 |
Cc1cc(O)cc(C(=O)NC[C@H]2CN(C(=O)C(C)(Cl)Cl)CC23CCOCC3)c1 |
CO[C@H](F)C(=O)NC[C@]1(C)CCCN(C(=O)c2cc(C)c(C(N)=O)cn2)C1 |
CC(=Cc1ccco1)C(=O)N1CCC(CO)(CNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)CC1 |
CCC(CC)[C@@H](CO)CNc1cc(N2CCCN(C3CC3)CC2)ncn1 |
CC[C@@H]1CCN(C(=NCCCCl)NCC2CCN(C(C)=O)CC2)C1 |
CC[C@@H](C(=O)NCc1cc(Cl)no1)N(C)C(=O)[C@@H]1CC[C@H](C(N)=O)C1 |
COC[C@H](C)[C@H](C)C(=O)N[C@@H]1CCN(CC(=O)Nc2sc(C)c(C)c2C)C[C@@H]1O |
CCC1(NC(=O)[C@H]2CCCN(c3ncccc3C(=O)OC)CC2)CCCC1 |
CCCCC[C@@H](O)CC(=O)NCCC[C@@H]1CN(C(=O)C2=CCOC2)CCO1 |
N#Cc1ccc(C=CCNC[C@@H]2CC3(CCO2)CC3)cc1 |
C[C@H](CN(C)C(=O)C1CC2(CCCC2)C1)NC(=O)COCC(=O)OC(C)(C)C |
Cc1cc(F)ccc1NC(=O)[C@H]([C@@H]1C[C@@H]1Cl)N1CC[C@@](C)(CCO)C1 |
O=C(Cc1ccc2c[nH]nc2c1)NCCN(CC1CC1)C(=O)c1cccnc1 |
CC[C@@H](C(=O)N[C@@H]1C[C@H]1CNC(=O)c1cccc(NC(C)=O)c1)C(C)(C)CC |
CC(=O)N1CSC[C@@H]1C(=O)N(C)C[C@@H](C)NC(=O)C1(c2cccc(F)c2)CCC1 |
C[C@@H](CCNC(=O)c1cccc(F)c1F)CCNC(=O)[C@@H]1[C@H]2COC[C@H]21 |
Cc1nnc(CCCC(=O)N2CCN(C(=O)CC[C@H](C)C#N)[C@@H](C3CC3)C2)n1C |
CC(=O)N(C)CCCC(=O)N1CC[C@H](NC(=O)Cc2cccc(Cl)c2Cl)[C@H](F)C1 |
CC[C@@H](CCC(=O)NCC[C@@]1(C)CCN(C(=O)Cc2coc(C)n2)C1)OC |
CCC[C@H](C)CC(=O)N1CCC[C@]2(CCN(Cc3cnon3)C2)C1 |
CCNS(=O)(=O)CC(=O)N[C@@H]1CCN(C(=O)C=C2CC2)[C@@H](C)C1 |
C[C@@H](CC(=O)N1CCC[C@H]1CCNC(=O)CCc1ccc(Cl)c(Cl)c1)NC(N)=O |
C[C@@]1(CNC(=O)C[C@@H]2CC[C@H]2C(F)(F)F)CCCN1C(=O)CCC(N)=O |
CCCC(=CC(=O)N[C@@H]1CC[C@@H](CNC(=O)[C@@H](C)N(C)CC(F)(F)F)C1)CCC |
CC(C)(C)CC1CC(C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2ncc(F)cc2N)C1 |
CC(C)C[C@@](C)(CNC(=O)[C@@]1(C)CC(C(C)C)=NO1)NC(=O)CCOC1CCC1 |
COc1ccc(C(=O)NC[C@H]2[C@@H]3CN(C(=O)C[C@@H]4CCC(F)(F)C4)C[C@H]23)c(Cl)n1 |
C[C@@H]1C[C@H](CNC(=O)COCc2ccnn2C)CN1C(=O)c1nccc(N)c1Cl |
Cc1cccnc1CNC(=O)[C@@H]1CCCN(C(=O)CCOc2ccccc2)CC1 |
CC[C@H](C)C1CN(C(=O)CC[C@H]2CCCCN(C(=O)CC[C@@H](C)CN(C)C)C2)C1 |
O=C(NCc1n[nH]c2c1CN(C(=O)C1=CCSC1)CC2)[C@@H]1CCSC1 |
CC[C@@](C)(NC(=O)OC(C)(C)C)C(=O)N1CC(CNC(=O)c2ccc(O)nc2)C1 |
CC/C=C/CC(=O)NCc1ccccc1CNC(=O)c1c(CC)nn(C)c1Cl |
CCc1c(C(=O)N2C[C@H]3C[C@H](NC(=O)c4ccc(C)cn4)C[C@H]2C3)cnn1C |
CCc1nsc(N2CCC[C@]3(CN(C(=O)[C@@H]4[C@H]5CC[C@@H](C5)C4(C)C)CCO3)C2)n1 |
COCc1nocc1C(=O)N1C[C@@H](C)CC[C@H]1CNC(=O)CCCS(C)(=O)=O |
COC1=CC=CC2=C1OCC(C(=O)N[C@H]1CCCN(C(=O)CCC(C)(C)C)C1)=C2 |
Cc1cc(C[C@H](C)NC(=O)C[C@H](CC2CC2)NC(=O)c2coc3c2COC3)n[nH]1 |
Cc1cc(NC(=O)NC[C@H](O)C(F)F)ncc1I |
C[C@@H](CC1CN(C(=O)c2nnc(O)nc2O)C1)NC(=O)c1nsnc1O |
C[C@H](C[C@@H](C)NC(=O)c1cn2ncccc2n1)NC(=O)c1cc(C2(C)CC2)on1 |
C[C@]1(Br)C[C@H]1C(=O)N1CC=C(CNC(=O)[C@@H]2COc3ccc(Cl)cc32)CC1 |
CC(C)[C@H]1CN(C(=O)CC[C@H](C)O)CCN1C(=O)c1cccc2nonc12 |
CC(C)(C)C(=O)NCC(=O)NCCNC(=O)CCCNC(=O)c1ccccc1 |
C=C1[C@H](C(=O)OC)[C@H]1C(=O)N1CC2(CN(C(=O)c3cccc(CC)n3)CCO2)C1 |
CCC[C@@H](CNC(=O)c1oc(CC)nc1C)C(=O)NCc1ncc(C)cn1 |
O=C(C[C@H]1CCCN1C(=O)CCc1cncs1)N[C@@H]1C[C@H]2C[C@H](O)[C@@H]1C2 |
CC[C@H](C)[C@@H](C)C(=O)NC(C)(C)[C@H]1CCCN1C(=O)c1ccc2[nH]c(=N)[nH]c2c1 |
Cc1cc([N+](=O)[O-])ccc1C(=O)N1C[C@H]2CN(C(=O)c3cc(Br)cnc3O)C[C@H]21 |
Cc1conc1C(=O)N1CCC[C@@H]1CNC(=O)[C@H]1CCS[C@@H](C)C1 |
CC(C)CCCOCC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)C1(N2CCCC2)CCC1 |
O=C(Nc1cnc2c(c1)CCO2)NC1CCN([C@@H]2CCC[C@H]2O)CC1 |
CN(C[C@@H](O)CNC(=O)c1cc(C2CC2)ns1)C(=O)C[C@H]1CCCO1 |
CS[C@@H]1CN(C(=O)C(=O)c2cc(F)cc(Cl)c2)C[C@H]1NC(=O)C1(C)CCCC1 |
CO[C@@H](F)C(=O)N[C@H](C)C(C)(C)NC(=O)CCC(=O)c1ccc(C)c(C)c1 |
C=CCCCC(=O)N[C@@]1(CF)CCN(C(=O)C2(NC(C)=O)CCC2)C1 |
Cc1ccnn1[C@H](C)C(=O)N[C@H]1C=CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C2 |
CCC(CC)(CNC(=O)C[C@@H]1OCC[C@@H]1C)C(=O)N1CC[C@]2(CC[C@@H](OC)C2)C1 |
Cc1cc[nH]c1C(=O)NC1(CCC(=O)NC2(c3ccccc3)CC2)CCCC1 |
CC[C@H]1[C@H](CC(=O)N[C@H](C)CNC(=O)c2ccnc3ncnn23)C1(F)F |
C[C@H]1CCC[C@@H]1C(=O)N1CC(C2CCN(C(=O)c3cccc4scnc34)CC2)C1 |
O=C(NCC1(CNC(=O)c2cccc(F)c2F)CCC1)c1csc(Cl)n1 |
CCN(C(=O)[C@@H]1CC(=O)N(CC(C)C)C1)[C@@H]1CCN(C(=O)c2ccc(=O)oc2)C1 |
O=C(N[C@]1(CO)CCCN(C(=O)[C@H]2CC=CCO2)C1)[C@@H]1CCCOCC1 |
CCN(CCNC(=O)C(=O)NC1CC1)C(=O)c1cnn(CCF)c1 |
C/C=C/C[C@@H](C)C(=O)N[C@@H]1CC[C@H]1NC(=O)COc1ccccc1Cl |
CCCn1ccc(C(=O)NC23CC(CNC(=O)[C@]4(C)CCC[C@H]4O)(C2)O[C@H]3C)n1 |
O=C(CNS(=O)(=O)c1cccc(F)c1)N1CCCc2cc(Br)cc(F)c21 |
Cc1cccc(C(=O)N[C@@H]2C[C@H]3C[C@H]2CN3C(=O)c2cc(Cl)c(Cl)n2C)n1 |
C[C@@H](NC(=O)COCC1CC1)C1(CNC(=O)c2cncc(CO)c2)CC1 |
Cc1cc(CC(=O)Nc2cnc(F)cc2C(=O)NC[C@H]2CNC(=O)CO2)no1 |
O=C1C[C@@H](CC(=O)N2CC(NC(=O)CCCc3ccc4nc(O)[nH]c4c3)C2)CN1 |
CCCCC(=O)N(C)C[C@@H]1COCCN1C(=O)c1cc(C#N)ccn1 |
C[C@]1(CNC(=O)C2(CO)CC(F)(F)C2)CCN(C(=O)c2cc3c([nH]2)CCCC3)C1 |
Cc1nc(C(=O)N[C@@H](C)CNC(=O)[C@@H]2C[C@H]2c2sccc2C)n(C)n1 |
C#CCSCC(=O)N1C[C@H](N=[N+]=[N-])C[C@@H]1C(=O)N[C@@H](C)C(C)(C)O |
Cc1ncc(C(=O)N2CC[C@@H](C3CC(NC(=O)CCn4ccnc4)C3)C2)cc1N |
CC(C)OC[C@H](NC(=O)C1C[C@H]2COC[C@@H]2C1)C(=O)N1C[C@H]2CCC[C@H]2C1 |
CC(=O)Nc1cnc(O)c(C(=O)N[C@H]2C[C@H](C)N(C(=O)c3cc(C)ccn3)C2)c1 |
Cc1nc2nccc(C(=O)N3C[C@@H]4CC[C@]4(NC(=O)[C@@H]4CC(=O)N(C)C4)C3)n2n1 |
COc1ccc(F)c(C(=O)N2CC[C@H]3CN(C(=O)c4sccc4SC)C[C@H]3C2)c1 |
O=C(CSc1cccc(Cl)c1)N1CC2(CCN2C(=O)[C@H]2CC[C@H]([N+](=O)[O-])CC2)C1 |
C[C@H](CF)CC(=O)N1CC2(CCC(NC(=O)[C@]3(C)C=CCCC3)CC2)C1 |
COC(=O)[C@H]1CCCC[C@H]1C(=O)NC[C@@H]1CCCN1C(=O)[C@@H]1CC(=O)NC(=O)N1 |
CC[C@@H](C)c1nc(-c2cccc(S(=O)(=O)C(F)(F)F)c2)n(C(COC)COC)n1 |
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