| smiles,Hepatobiliary disorders,Metabolism and nutrition disorders,Product issues,Eye disorders,Investigations,Musculoskeletal and connective tissue disorders,Gastrointestinal disorders,Social circumstances,Immune system disorders,Reproductive system and breast disorders,"Neoplasms benign, malignant and unspecified (incl cysts and polyps)",General disorders and administration site conditions,Endocrine disorders,Surgical and medical procedures,Vascular disorders,Blood and lymphatic system disorders,Skin and subcutaneous tissue disorders,"Congenital, familial and genetic disorders",Infections and infestations,"Respiratory, thoracic and mediastinal disorders",Psychiatric disorders,Renal and urinary disorders,"Pregnancy, puerperium and perinatal conditions",Ear and labyrinth disorders,Cardiac disorders,Nervous system disorders,"Injury, poisoning and procedural complications" | |
| CNCC[C@@H](C1=CC=CS1)OC2=CC=CC3=CC=CC=C32.Cl,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1,1 | |
| COC1=C(C=C(C=C1)Cl)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3,1,0,1,0,1,1,0,1,0,0,1,1,0,1,1,1,1,0,1,1,1,0,1,0,1,1,1 | |
| C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C.[Br-],1,0,1,1,1,1,0,1,1,0,1,0,0,1,0,1,0,1,1,1,1,0,0,1,1,1,0 | |
| CC1=NC=C(N=C1)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCCCC3,1,0,1,1,1,1,0,1,0,0,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1,1 | |
| CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,0,0,1,1,1,1 | |
| CC1=CC=C(C=C1)S(=O)(=O)NC(=O)NN2CC3CCCC3C2,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1,1 | |
| CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)CC(=O)O)CCSC)CCCCN)CCCNC(=N)N)CC2=CC=CC=C2)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CO)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4C=NC=N4)C(=O)O)CC(C)C)CO)CO)CO)CO,1,0,0,1,1,1,0,1,0,0,1,0,0,1,0,1,0,0,1,0,1,0,0,1,1,0,0 | |
| CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC(=O)OC)C(=O)OC.Cl,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1,1 | |
| CCN[C@H]1CN(S(=O)(=O)C2=C1C=C(S2)S(=O)(=O)N)CCCOC,1,0,1,1,1,1,0,1,1,0,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1,1 | |
| C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1 | |
| CN1CCC23C=CC(CC2OC4=C(C=CC(=C34)C1)OC)O,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1,1 | |
| CC(C)(C)NC(=O)[C@@H]1CC2CCCCC2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)N)NC(=O)C4=NC5=CC=CC=C5C=C4)O,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1,1 | |
| C1=COC(=C1)CNC2=CC(=C(C=C2C(=O)O)S(=O)(=O)N)Cl,1,0,1,1,1,1,1,1,1,0,1,0,0,1,1,1,1,0,0,1,1,0,1,1,1,1,1 | |
| CC=C1C(=O)NC(C(=O)OC2CC(=O)NC(C(=O)NC(CSSCCC=C2)C(=O)N1)C(C)C)C(C)C,1,0,0,1,0,1,0,1,0,1,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,1 | |
| C1CCN(C1)CCOC2=CC=C(C=C2)[C@H]3[C@H](CCC4=C3C=CC(=C4)O)C5=CC=CC=C5,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1,1 | |
| CC12CCC3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)O)C1CCC2=O,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,0,1,1,1,1 | |
| CC(CC1=CC=C(C=C1)OC)NCC(C2=CC(=C(C=C2)O)NC=O)O,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1,0 | |
| C1CC2=NC1=C(C3=CC=C(N3)C(=C4C=CC(=N4)C(=C5C=CC(=C2C6=CC(=CC=C6)O)N5)C7=CC(=CC=C7)O)C8=CC(=CC=C8)O)C9=CC(=CC=C9)O,0,0,0,1,1,1,0,0,0,0,1,0,0,1,1,1,0,1,1,0,0,0,0,0,1,1,0 | |
| CC1=CNN=C1,1,0,1,1,1,1,0,0,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1,0 | |
| C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)N=C(N3)N,1,0,0,0,0,1,0,1,0,0,1,0,0,0,0,1,0,0,1,1,0,0,0,0,1,1,0 | |
| CC(C)N1C2=CC=CC=C2C(=C1C=CC(CC(CC(=O)O)O)O)C3=CC=C(C=C3)F,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1,1 | |
| C1=C(C(=O)NC(=O)N1)F,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,1,1,1,1,0,1,0,1,1,1,1 | |
| CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)F)C,1,0,1,0,0,1,0,1,1,0,1,0,1,1,0,1,1,0,1,1,0,0,1,1,1,1,0 | |
| C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,1,1,1,1,1,1 | |
| C1CCNC(C1)C[NH2+]C(=O)C2=C(C=CC(=C2)OCC(F)(F)F)OCC(F)(F)F,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1,1 | |
| CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4,0,0,1,0,0,1,0,0,0,0,1,0,0,0,1,1,0,0,0,1,0,0,1,1,1,0,0 | |
| CC(=O)O[C@H]1[C@H](CC2[C@@]1(CCC3C2CCC4[C@@]3(C[C@@H]([C@H](C4)O)N5CCOCC5)C)C)[N+]6(CCCC6)CC=C.[Br-],0,0,0,1,1,1,0,1,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,1,1,0,0 | |
| CC12CCC3C(C1CCC2C(=O)NC(C)(C)C)CCC4C3(C=CC(=O)N4)C,0,0,0,1,1,0,0,1,1,1,1,0,0,1,0,1,0,1,1,1,0,0,0,0,1,1,0 | |
| CC(C)(C1=CC=C(C=C1)C(CCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)O)C(=O)O,1,0,1,1,1,1,0,1,1,0,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1,0 | |
| CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1 | |
| C1C[NH2+]CC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=C(C=C3)O,1,0,0,1,1,1,0,0,0,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,0,0 | |
| C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1 | |
| CCC1=CC=CC2=C1NC3=C2CCOC3(CC)CC(=O)O,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1,1 | |
| CCC1(CC(=O)NC1=O)C,1,0,1,1,1,1,1,1,1,0,1,0,0,0,1,1,0,0,1,1,1,0,0,0,1,0,0 | |
| CC1=C(C(=CC=C1)[C@@H](C)C2=CN=CN2)C,1,0,1,1,0,1,0,0,0,0,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,1 | |
| CCC(C)CCCCC(=O)NC(CCNCS(=O)(=O)[O-])C(=O)NC(C(C)O)C(=O)NC(CCNCS(=O)(=O)[O-])C(=O)NC1CCNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC1=O)CCNCS(=O)(=O)[O-])CC(C)C)CC(C)C)CCNCS(=O)(=O)[O-])CCNCS(=O)(=O)[O-])C(C)O.[Na+].[Na+].[Na+].[Na+].[Na+],1,0,0,1,1,1,0,1,0,0,1,0,0,0,0,1,0,1,1,1,1,0,1,0,1,1,0 | |
| CC12CCC3C(C1CCC2OC(=O)CCC4CCCC4)CCC5=C3C=CC(=C5)O,1,0,1,1,1,1,0,1,1,1,1,0,0,1,0,1,1,1,1,1,0,0,0,1,1,0,1 | |
| CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C,0,0,0,1,1,1,0,0,0,0,1,0,0,1,0,1,0,1,0,1,0,0,1,1,1,0,0 | |
| CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)C(=O)N3CCCC(C4=C3C=CC(=C4)Cl)O)C,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,0,0,1,0,1,0,0,1,1,0,0 | |
| CC1=CC2=C(C=C1CC(=O)C3=C(C=CS3)S(=O)(=O)NC4=C(C(=NO4)C)Cl)OCO2,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1 | |
| C1C2C3=CC=CC=C3CC4=CC=CC=C4N2C(=N1)N,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,1,0,1,1,0,0,0,0,0,1,0,0 | |
| CCOCCN1C2=CC=CC=C2N=C1N3CCCN(CC3)C,0,0,1,1,0,0,0,0,0,0,1,0,0,1,0,1,0,1,0,1,0,0,0,1,1,0,0 | |
| C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1 | |
| CC1=C(C(=C2C3C4C5C6=C(C(N4C(C(N3C)CC2=C1)O)COC(=O)C7(CS5)C8=CC(=C(C=C8CCN7)O)OC)C9=C(C(=C6OC(=O)C)C)OCO9)O)OC,1,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,0,0,0,1,1,1,1 | |
| C1CN(CC=C1N2C3=CC=CC=C3NC2=O)CCCC(=O)C4=CC=C(C=C4)F,1,0,1,1,1,0,0,1,1,0,1,1,1,1,0,1,0,0,1,1,0,0,0,1,1,0,0 | |
| COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4)N)OC,1,0,1,1,1,1,1,1,1,1,1,0,0,1,1,1,1,1,1,1,1,0,1,1,1,1,1 | |
| CCN1CC(C(C1=O)(C2=CC=CC=C2)C3=CC=CC=C3)CCN4CCOCC4,0,0,1,1,0,1,0,0,0,0,1,0,0,1,1,1,0,0,1,1,1,0,0,1,1,1,0 | |
| CN(C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31,1,0,1,1,0,1,1,1,1,0,1,1,0,1,1,1,0,0,0,1,1,0,0,1,1,1,1 | |
| C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)NC4=CC=CC(=C4)C(=O)O)C(=O)O)[C@@H](C)O,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1 | |
| CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCN.C1=CC=C(C=C1)S(=O)(=O)O,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1,1 | |
| C1CN(CCC1N2C3=C(C=C(C=C3)Cl)NC2=O)CCCN4C5=CC=CC=C5NC4=O,0,0,0,1,1,1,0,0,1,0,1,0,0,1,0,1,0,1,0,1,1,0,0,1,1,0,0 | |
| C1C2CC3CC(CC1N3CC2=O)OC(=O)C4=CNC5=CC=CC=C54,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1,1 | |
| CC(C1=CC2=CC=CC=C2S1)N(C(=O)N)O,0,0,0,1,1,1,0,1,1,0,1,0,0,0,1,1,0,1,1,1,0,0,0,0,1,1,1 | |
| C1CCN(CC1)C2=NC(=NC3=C2N=C(N=C3N4CCCCC4)N(CCO)CCO)N(CCO)CCO,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1,1 | |
| CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CC[NH+](C)C)C3=CC=C(C=C3)OC,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1,1 | |
| CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CC6C(CC7=CNC8=CC=CC6=C78)N(C5)C,1,0,1,1,1,1,1,1,1,0,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1,0 | |
| CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(CC4)O,0,0,0,1,0,1,0,1,0,0,1,0,0,1,0,1,0,0,1,1,1,0,1,0,1,1,1 | |
| CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CC(C7(C6(CCC7C8=CC(=O)OC8)O)C)O)C)C)C)O)O,1,0,1,1,0,1,0,0,1,0,1,0,0,0,1,1,0,0,0,1,0,0,0,1,1,1,0 | |
| C1CC(OC1CO)N2C=NC3=C2NC=NC3=O,1,0,1,1,1,1,1,1,0,0,1,0,0,0,1,1,0,1,0,0,1,0,0,0,1,1,1 | |
| CCN(CC)CCOC(=O)C1(CCCCC1)C2CCCCC2,1,0,1,0,1,1,0,1,1,0,1,0,0,1,0,1,0,0,1,1,1,0,0,1,1,0,0 | |
| C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)C[C@@H](CC3=CC(=C(C=C3F)F)F)N,1,0,1,1,1,1,0,1,1,0,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1,1 | |
| CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)C)C(=C1)O,1,0,0,0,1,1,1,1,0,0,1,0,1,1,0,1,0,1,1,1,0,0,1,1,1,1,0 | |
| CC1=C(C(=O)C=CN1C)O,1,0,1,1,1,1,1,1,0,0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,1 | |
| C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)N,1,0,1,1,1,1,0,0,1,0,1,0,0,0,0,1,1,1,1,1,1,0,1,1,1,1,0 | |
| C1C(=O)N=C(N1N=CC2=CC=C(O2)C3=CC=C(C=C3)[N+](=O)[O-])[O-],1,0,1,1,1,1,0,1,0,1,1,0,0,1,1,1,0,0,1,1,1,0,0,1,1,1,1 | |
| CC12CCC3C(C1CCC2(C#C)O)CCC4=CC5=C(CC34C)C=NO5,1,0,1,1,1,1,0,0,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1,1 | |
| C1=CC(=C2C(=C1NCCN)C(=O)C3=C(C2=O)C=NC=C3)NCCN,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,0,1 | |
| CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)C#N)C(=O)O,1,0,1,1,1,1,1,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1,1 | |
| CN1CCC(=C2C3=CC=CC=C3C=CC4=CC=CC=C42)CC1,1,0,1,1,0,1,0,0,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1,1 | |
| CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1,1 | |
| CN(C)CCOC(=O)C(C1=CC=CC=C1)C2(CCCC2)O,0,0,1,1,0,1,0,0,0,0,1,0,1,1,0,1,0,1,0,1,1,0,1,1,1,1,0 | |
| CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31,1,0,1,1,1,1,1,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1,1 | |
| C1=CC2=C(C(=C1)OCC(COC3=CC=CC4=C3C(=O)C=C(O4)C(=O)[O-])O)C(=O)C=C(O2)C(=O)[O-],0,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1,1 | |
| C1=CC(=CC=C1[C@@H]2[C@H](C(=O)N2C3=CC=C(C=C3)F)CC[C@@H](C4=CC=C(C=C4)F)O)O,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1,1,1,1,1,0,0,0,1,1,0,1 | |
| C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC(=C)C4=CC(=O)C=C[C@]34C,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,0,0,0,1,1,1,1 | |
| CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)OC)OC)OC)OC,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,0,0,1,0,1,0,0,0,1,0,1 | |
| CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,0,0,0,1,1,0,0,0,0,1,1,0 | |
| CN1CCC(=C2C3=C(CCC4=CC=CC=C42)SC=C3)CC1,1,0,0,1,1,1,0,0,1,0,1,0,0,1,0,0,0,0,0,1,0,0,0,0,1,0,0 | |
| COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)O)C45CC6CC(C4)CC(C6)C5,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,1,0,1,0,0,0,1,0,0,1,1,1 | |
| CN1CCN(CC1)C2=C3C=CC=CC3=NC4=C(N2)C=C(C=C4)Cl,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,1,1,1,1,1,0,1,1,1,1,1 | |
| CN1N=C(N=N1)C2=NC=C(C=C2)C3=C(C=C(C=C3)N4C[C@@H](OC4=O)CO)F,0,0,1,1,0,1,0,1,0,0,0,0,0,1,1,1,0,1,0,1,0,0,0,1,1,1,0 | |
| C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CN=C4,0,0,0,1,1,1,0,0,1,0,1,0,0,1,0,1,0,1,0,0,1,0,0,0,1,0,0 | |
| CC(C)CCCCCCCCC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C3C=C4C=C2OC5=C(C=C(C=C5)[C@H]([C@H]6C(=O)N[C@@H](C7=CC(=CC(=C7C8=C(C=CC(=C8)[C@H](C(=O)N6)NC(=O)[C@@H]4NC(=O)[C@@H]9C1=CC(=CC(=C1Cl)O)OC1=C(C=C(C=C1)[C@H](C(=O)N[C@H](CC1=CC=C(O3)C=C1)C(=O)N9)NC)O)O)O[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)C(=O)NCCCN(C)C)O)Cl)C(=O)O)O)O,1,0,0,1,0,1,0,1,0,0,0,0,0,1,1,1,0,1,1,0,0,0,0,0,1,1,1 | |
| CC(C)N=C1C=C2C(=NC3=CC=CC=C3N2C4=CC=C(C=C4)Cl)C=C1NC5=CC=C(C=C5)Cl,1,0,1,1,1,1,0,0,0,0,1,0,0,1,1,1,1,1,0,1,1,0,0,0,1,0,1 | |
| CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,1,0,1,1,1,1,0,0,0,0,1,0,0,1,1,1,0,1,1,1,0,0,0,0,1,0,0 | |
| CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCC3CCCN3C,1,0,1,0,0,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1,0 | |
| CCCC1=NC2=C(C=C(C=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C5=NC6=CC=CC=C6N5C)C,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1,1 | |
| CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1 | |
| CCN1C2=CC3=C(C=C2C(=O)C(=N1)C(=O)O)OCO3,1,0,1,0,0,1,0,1,0,0,1,0,0,0,1,1,0,0,0,1,0,0,1,0,1,0,0 | |
| C1CCC(CC1)N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)CC4,1,0,1,1,1,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1,1 | |
| CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCN3CCCC(N3C2=O)C(=O)O,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1,1 | |
| CC1=CC(=O)N(C(=C1)C2CCCCC2)O,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,1,0,0 | |
| C1=CC2=C(C=C1Cl)NC(=O)O2,0,0,0,0,0,1,0,1,0,0,1,0,0,0,0,1,0,0,0,0,1,0,0,0,1,0,0 | |
| C1=CC=C2C(=C1)C(=O)NC2(C3=CC(=C(C=C3)Cl)S(=O)(=O)N)O,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,0,1,1,1,0,1,1,1,0,1 | |
| CN=C1CN(C(=C2C=C(C=CC2=N1)Cl)C3=CC=CC=C3)O,0,0,0,0,0,1,0,0,1,0,1,0,0,1,1,1,0,0,0,1,0,0,0,0,1,0,1 | |
| CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)N[C@H]4C[C@H]([C@H](NC(=O)[C@@H]5[C@H]([C@H](CN5C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H](NC4=O)[C@@H](C)O)O)[C@@H]([C@H](C7=CC=C(C=C7)O)O)O)[C@@H](C)O)C)O)O)O,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1,1 | |
| CC(C)(CC1=CC=C(C=C1)OC)NCC(C2=CC(=CC3=C2OCC(=O)N3)O)O,0,0,0,1,1,1,0,0,0,1,0,0,0,0,0,1,0,1,1,0,0,0,0,1,1,0,0 | |
| CC1OC2(CN3CCC2CC3)CS1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1 | |
| CC(C)[C@H]1C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)CC5=CC=CC=C5)C)CCSCC(=O)NC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N)N,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,1,0,0 | |
| CC(C)C1=C(C(=C(C(=N1)C(C)C)C=CC(CC(CC(=O)O)O)O)C2=CC=C(C=C2)F)COC,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1,1 | |
| CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)OCCO)C5=CC(=C(C=C5)OCCO)OCCO)O)O)O)O)O)O,0,0,0,0,0,1,0,0,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,0,1,0,0 | |
| CC1=CC=C(C=C1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)N)C(F)(F)F,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1,1 | |
| CN1C(=NC(=O)C(=N1)[O-])SCC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-],0,0,0,1,0,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1,1 | |
| C1C=C(N2C(S1)C(C2=O)NC(=O)C(=CCC(=O)O)C3=CSC(=N3)N)C(=O)O,1,0,0,1,0,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,0,1,1,1 | |
| CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)[O-],1,0,1,1,0,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,1,0,1,1,1,1 | |
| C(CSC[C@@H]1[C@@H]2[C@@H]([C@H]([C@H](O1)O[C@@H]3[C@H](O[C@@H]([C@@H]([C@H]3O)O)O[C@@H]4[C@H](O[C@@H]([C@@H]([C@H]4O)O)O[C@@H]5[C@H](O[C@@H]([C@@H]([C@H]5O)O)O[C@@H]6[C@H](O[C@@H]([C@@H]([C@H]6O)O)O[C@@H]7[C@H](O[C@@H]([C@@H]([C@H]7O)O)O[C@@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O[C@@H]9[C@H](O[C@H](O2)[C@@H]([C@H]9O)O)CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])CSCCC(=O)[O-])O)O)C(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],1,0,0,1,1,1,0,1,0,0,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0 | |
| COC1(C2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)[O-])NC(=O)CC3=CC=CS3,0,0,0,1,0,1,0,1,1,0,1,0,0,1,1,1,0,1,1,0,1,0,0,0,1,1,1 | |
| C[N+]1(CCCC1)CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-],1,0,0,1,1,1,1,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,0,0,1,1,1 | |
| CC1=NN=C(S1)SCC2=C(N3C(C(C3=O)NC(=O)CN4C=NN=N4)SC2)C(=O)[O-],1,0,0,1,0,1,0,1,1,0,1,0,0,1,1,1,0,1,0,1,1,0,0,0,1,1,1 | |
| C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCCN)C(=O)NCC(=O)N.C1CC(N(C1)C(=O)C2CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N,1,0,0,1,0,1,0,1,0,0,0,0,0,1,0,1,0,1,1,0,1,0,1,1,1,0,0 | |
| COC1=CC=CC=C1OCCNCC(COC2=CC=CC3=C2C4=CC=CC=C4N3)O,1,0,1,1,1,1,1,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1,1 | |
| CC(C)(C)NCC(COC1=CC=CC2=C1CCC(=O)N2)O,1,0,1,1,0,1,0,1,0,0,1,0,0,1,0,1,0,1,1,1,0,0,0,1,1,0,0 | |
| CC1=CN=C(C=[N+]1[O-])C(=O)O,0,0,0,0,1,1,0,1,0,0,1,0,1,1,0,1,0,0,1,0,0,0,0,0,1,0,0 | |
| C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2C(=O)N,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1 | |
| CC(CS)C(=O)N1CCCC1C(=O)O,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1 | |
| C1CN=C(NC1C2C(=O)NCC(C(=O)NC(C(=O)NC(C(=O)NC(=CNC(=O)N)C(=O)N2)CNC(=O)CC(CCCN)N)CO)N)N,1,0,0,1,0,0,0,1,0,0,1,0,0,0,1,1,0,1,0,0,1,0,1,0,0,1,1 | |
| CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)O,1,0,0,1,1,1,0,0,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,0,1 | |
| CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1,1 | |
| COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1,1 | |
| CC(C=CC(C1CC1)O)C2CCC3C2(CCCC3=CC=C4CC(CC(C4=C)O)O)C,1,0,0,0,0,0,0,1,0,0,1,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0,0 | |
| CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC,0,0,1,1,1,1,0,1,1,0,1,1,0,1,0,1,1,1,1,1,1,0,1,1,1,1,1 | |
| C1CCC2(C3CC4=C(C2(C1)CCN3CC5CCC5)C=C(C=C4)O)O,1,0,1,1,1,1,1,0,0,0,1,0,1,1,0,1,0,1,1,1,0,0,1,1,1,1,0 | |
| CC(C)(C)C1=CC=C(C=C1)CN(C)CC2=CC=CC3=CC=CC=C32,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0 | |
| C1CCC2(C1)CC(=O)N(C(=O)C2)CCCCN3CCN(CC3)C4=NC=CC=N4,1,0,1,1,1,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1,0 | |
| CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O,1,0,1,1,1,1,1,1,1,0,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1,1 | |
| CN1C2=C(C(=O)N(C1=O)C)NC(=N2)Cl.CN(C)CCOC(C1=CC=CC=C1)C2=CC=CC=C2,1,0,1,0,0,1,0,0,0,0,1,0,0,0,0,1,0,0,0,1,1,0,0,1,1,0,0 | |
| CC1([C@@H]2[C@H]1[C@H](N(C2)C(=O)[C@H](C(C)(C)C)NC(=O)NC(C)(C)C)C(=O)NC(CC3CCC3)C(=O)C(=O)N)C,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1,1 | |
| CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=C(NC7=CC=CC(=C67)C5=C4)Br)C)O,1,0,1,1,1,1,0,0,0,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1,0 | |
| CN(CC1=CC(=CC(=C1N)Br)Br)C2CCCCC2,0,0,0,0,0,1,0,1,0,0,0,0,0,0,0,1,0,0,1,0,0,0,0,0,0,0,0 | |
| C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3,1,0,1,1,1,1,0,1,0,0,1,0,0,1,0,1,0,0,1,1,1,0,0,1,1,1,0 | |
| C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br,1,0,1,1,1,1,0,1,0,0,1,0,1,1,0,1,1,1,1,1,0,0,0,1,1,1,0 | |
| C1COCC(=O)N1C2=CC=C(C=C2)N3CC(OC3=O)CNC(=O)C4=CC=C(S4)Cl,0,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,1 | |
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