| 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" | |
| CCCCCCOC(=O)N=C(C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4)N,1,1,0,0,1,1,1,0,1,0,0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1 | |
| CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC8=CN=CN8)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)C,1,1,0,1,1,1,1,1,1,0,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 | |
| CCCCCC(C=CC1C(CC2C1CC(=CCCCC(=O)O)O2)O)O,1,1,0,0,1,1,1,0,1,0,0,1,1,1,1,1,1,0,1,1,1,1,0,0,1,1,1 | |
| C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CO)O)O,0,0,1,1,1,1,1,0,1,0,0,1,0,0,1,0,1,0,0,1,1,1,0,1,1,1,1 | |
| C(C1C(C(C(C(O1)O)O)O)O)O,0,1,0,1,1,0,1,0,0,0,0,1,0,0,1,1,0,0,1,1,1,0,0,0,1,1,1 | |
| [Cl-],0,1,0,0,1,0,1,0,0,0,0,1,0,0,1,0,1,0,1,0,0,0,0,0,0,0,0 | |
| C1=CC2=C(C(=C1)Cl)SC=C2COC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0 | |
| CCN(CC)CCOC(=O)C1=C(C=C(C=C1)N)Cl,0,1,0,1,1,1,1,0,0,0,0,0,0,1,1,0,1,1,0,1,1,0,0,1,1,1,1 | |
| CCC1=NC=CC(=C1)C(=S)N,1,1,0,1,1,0,1,0,1,1,0,0,1,0,1,1,1,0,0,0,1,0,0,0,0,1,0 | |
| CN1C2=C(C(=O)N(C1=O)C)NC=N2.C[N+](C)(C)CCO,0,1,0,0,0,1,1,0,0,0,0,0,1,0,1,1,1,0,0,1,1,1,0,0,1,1,1 | |
| C1CC2C(=O)NC(CSSCCC(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCCN=C(N)N)C(=O)N,1,0,0,0,1,0,1,0,1,0,1,1,0,0,1,1,1,1,1,1,0,1,0,0,1,1,1 | |
| C[C@H](C1=CC=CC2=CC=CC=C21)NCCCC3=CC(=CC=C3)C(F)(F)F.Cl,0,1,0,0,1,1,1,0,1,0,1,1,1,0,1,1,1,0,1,1,1,1,0,0,1,1,1 | |
| CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)O)OC2C(C(C(C(O2)C(=O)O)OC3C(C(C(C(O3)CO)OC4C(C(C(C(O4)C(=O)O)O)O)OS(=O)(=O)O)OS(=O)(=O)O)NS(=O)(=O)O)O)OS(=O)(=O)O)O,1,1,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 | |
| C1CN(CCN1CCCCC2=CNC3=C2C=C(C=C3)C#N)C4=CC5=C(C=C4)OC(=C5)C(=O)N.Cl,0,1,0,1,0,1,1,0,0,1,0,1,0,0,0,1,1,0,1,0,1,1,0,0,1,1,1 | |
| C=CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)SC1)C(=O)O,1,1,0,0,1,1,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 | |
| CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)NCC(=O)N3CCC[C@H]3C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CC8=CN=CN8)N,0,1,0,0,0,1,1,0,1,0,0,1,0,0,0,0,1,0,1,0,0,0,0,0,1,1,0 | |
| CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC,1,1,1,1,1,1,1,0,0,0,1,1,1,0,1,1,1,0,1,1,1,1,0,0,1,1,1 | |
| C[C@H]1C=CC=C(C(=O)NC2=C3C(=NC4(N3)CCN(CC4)CC(C)C)C5=C6C(=C(C(=C5C2=O)O)C)O[C@@](C6=O)(OC=C[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,1,1,1,1,1,0,0,0,1,1 | |
| CS(=O)(=O)O.C1CNC[C@H]([C@@H]1C2=CC=CC=C2)COC3=CC4=C(C=C3)OCO4,1,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1 | |
| CC(=O)NC1=[N+](N=C(S1)S(=O)(=O)N)C,1,1,0,1,1,0,1,0,1,0,0,1,0,0,0,1,1,0,0,0,1,1,0,1,0,1,1 | |
| CCCCCCCCCCCCCCCCCCCCCCO,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0 | |
| CC1C(C(=O)NC(C(=O)N2CCCC2C(=O)N(CC(=O)N(C(C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)NC6C(OC(=O)C(N(C(=O)CN(C(=O)C7CCCN7C(=O)C(NC6=O)C(C)C)C)C)C(C)C)C)N)C,1,1,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1,1,1,0,0,0,0,0,0,1,1 | |
| CC[C@@]12C=CCN3[C@@H]1[C@]4(CC3)[C@H]([C@]([C@@H]2OC(=O)C)(C(=O)OC)O)N(C5=CC(=C(C=C45)[C@]6(C[C@@H]7C[C@@H](CN(C7)CC8=C6NC9=CC=CC=C89)C(C)(F)F)C(=O)OC)OC)C,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 | |
| C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO)O)O)O)O.[O-2].[O-2].[O-2].[Fe+3].[Fe+3],0,1,0,1,1,1,1,0,1,0,0,1,0,0,1,0,1,0,1,1,1,0,0,1,1,1,1 | |
| CCOC(=O)C1=CC=C(C=C1)N,0,0,0,0,0,0,1,0,1,0,0,1,0,0,0,1,1,0,0,1,0,0,0,0,1,0,0 | |
| C1CN(CCC1OC(C2=CC=C(C=C2)Cl)C3=CC=CC=N3)CCCC(=O)O,0,0,0,1,0,0,1,0,1,0,0,0,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0 | |
| CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)(O)O)O)C)O)F)C,0,1,0,1,1,1,1,0,1,1,0,1,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1 | |
| C1C(=O)NC2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=N3,0,1,0,1,1,1,1,0,1,0,0,1,0,0,1,0,1,0,0,1,1,1,0,0,1,1,1 | |
| CCCCNC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)N)OC2=CC=CC=C2,1,1,0,0,1,1,1,0,0,1,0,1,0,0,1,1,1,0,0,1,1,1,0,1,0,1,1 | |
| CC(C)(C)C(C)(C1CC23CCC1(C4C25CCN(C3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)O,1,1,0,1,1,1,1,1,1,1,0,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1 | |
| CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C(=O)OC(C)OC(=O)OC6CCCCC6,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 | |
| CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O,1,0,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,0,1,1,0,1,0,1,1 | |
| C[N+]1(CCCC1)CC2=C(N3C(C(C3=O)NC(=O)C(=NOC)C4=CSC(=N4)N)SC2)C(=O)[O-],1,1,0,0,1,1,1,1,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,0,0,1,1 | |
| CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)C(=NOC)C3=CSC(=N3)N)SC1)C(=O)[O-],1,0,0,0,1,0,1,0,1,1,0,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1 | |
| C1C=C(N2C(S1)C(C2=O)NC(=O)C(=CCC(=O)O)C3=CSC(=N3)N)C(=O)O,1,1,0,0,1,0,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,0,1,1 | |
| [CH2]CC=O,0,0,0,1,0,0,0,0,1,0,0,1,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0 | |
| C1CN(CCN1CCOCC(=O)O)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl,1,1,0,1,1,1,1,1,1,1,0,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1 | |
| CCN(CC)CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,0,0,1,0,0,1,1,1,1 | |
| CCOC(=O)C(CCC1=CC=CC=C1)NC2CCCN3CCCC(N3C2=O)C(=O)O,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 | |
| C1CCC(CC1)N2C(=NN=N2)CCCCOC3=CC4=C(C=C3)NC(=O)CC4,1,1,0,1,1,1,1,0,0,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 | |
| CC(C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCCC3CCCN3C,0,1,0,1,0,0,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 | |
| CN(C)CCOC(=O)C(C1=CC=CC=C1)C2(CCCC2)O,0,0,0,1,1,0,1,0,0,0,0,1,0,1,1,0,1,0,1,0,1,1,0,1,1,1,1 | |
| CN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3,1,1,0,1,1,1,1,1,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 | |
| CC1=NS(=O)(=O)C2=C(N1)C=CC(=C2)Cl,0,1,0,1,1,0,1,0,1,1,0,1,0,0,1,1,1,0,1,0,1,1,0,0,1,1,1 | |
| CC1=C(C(=NO1)C2=C(C=CC=C2Cl)Cl)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-],1,0,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,0,0,1,1 | |
| CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(CC4)O,1,0,0,0,1,0,1,0,1,0,0,1,0,0,1,0,1,0,0,1,1,1,0,1,0,1,1 | |
| CC(=O)OC1C(SC2=CC=CC=C2N(C1=O)CC[NH+](C)C)C3=CC=C(C=C3)OC,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 | |
| CC(CC1=CC=C(C=C1)O)(C(=O)O)N,0,0,0,0,1,1,1,0,1,1,0,1,0,0,0,1,1,0,0,1,1,1,0,0,0,1,0 | |
| CN(C)CCC=C1C2=CC=CC=C2CSC3=CC=CC=C31,1,1,0,1,1,0,1,1,1,1,0,1,1,0,1,1,1,0,0,0,1,1,0,0,1,1,1 | |
| C1CC1C#CC2(C3=C(C=CC(=C3)Cl)NC(=O)O2)C(F)(F)F,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1 | |
| CC1(C(=O)N2C(C(=O)N3CCCC3C2(O1)O)CC4=CC=CC=C4)NC(=O)C5CN(C6CC7=CNC8=CC=CC(=C78)C6=C5)C,0,0,0,0,1,1,1,0,0,0,0,1,0,0,1,0,1,0,1,0,1,0,0,1,1,1,0 | |
| CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)O)C)C)O)(C)O,1,1,0,1,1,0,1,0,1,0,0,1,0,0,0,0,1,1,1,0,1,1,0,1,1,1,1 | |
| C1C2=NN=CN2C3=C(C=C(C=C3)Cl)C(=N1)C4=CC=CC=C4,0,1,0,1,1,1,1,1,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 | |
| CC1=C(C(=CC=C1)[C@@H](C)C2=CN=CN2)C,1,1,0,1,1,0,1,0,0,0,0,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1 | |
| CCC(=O)N(C1CCN(CC1)CCC2=CC=CC=C2)C3=CC=CC=C3,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1 | |
| C1=CC(=C(C=C1F)F)C(CN2C=NC=N2)(CN3C=NC=N3)O,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,1,1,1,1,1 | |
| C1CCN(C1)CCOC2=CC=C(C=C2)[C@H]3[C@H](CCC4=C3C=CC(=C4)O)C5=CC=CC=C5,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,1,1,1,1,1,0,1,1,1,1 | |
| C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)(F)F,1,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 | |
| CC1=CC(=C(C=C1)C)OCCCC(C)(C)C(=O)O,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 | |
| CCC1=C(CN(C1=O)C(=O)NCCC2=CC=C(C=C2)S(=O)(=O)NC(=O)NC3CCC(CC3)C)C,1,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,0,0,1,1,1 | |
| C1CN(CCN1CCC2=C(C=C3C(=C2)CC(=O)N3)Cl)C4=NSC5=CC=CC=C54.O.Cl,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1 | |
| CCCC[N+]1(C2CC(CC1C3C2O3)OC(=O)C(CO)C4=CC=CC=C4)C,0,0,0,1,1,0,1,0,1,0,0,0,0,0,1,0,1,0,0,1,0,1,0,0,1,1,0 | |
| CN1C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3,0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 | |
| C1C(C(OC1N2C=C(C(=O)NC2=O)I)CO)O,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0 | |
| C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)N,1,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,1,1,1,1,1,0,1,1,1,1 | |
| C1=CN=CC=C1C(=O)NN,1,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,0,0,0,1,0,0,0,0,1,1 | |
| C1=CC(=C(C=C1C(=N)N)Br)OCCCOC2=C(C=C(C=C2)C(=N)N)Br.C(CS(=O)(=O)O)O,0,0,0,1,0,0,0,0,1,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,1,0 | |
| CC(COC1=CC=CC=C1)NC(C)C(C2=CC=C(C=C2)O)O,0,1,0,0,0,0,1,0,0,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,1,1,0 | |
| CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCC(F)(F)F,1,1,0,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1 | |
| [Ra],0,1,0,0,0,0,1,0,0,0,1,1,0,0,0,1,1,0,0,0,0,1,0,0,0,0,0 | |
| C1CCC(CC1)NC(=O)N(CCCl)N=O,1,1,0,1,1,1,1,0,0,0,1,1,0,0,1,1,1,0,1,1,1,1,0,0,0,1,1 | |
| C1=CC=C(C(=C1)C2=NC(C(=O)NC3=C2C=C(C=C3)Cl)O)Cl,1,1,0,1,1,1,1,1,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 | |
| CCCC1=NC(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C(=O)OCC5=C(OC(=O)O5)C)C(C)(C)O.C1NC2=CC(=C(C=C2S(=O)(=O)N1)S(=O)(=O)N)Cl,1,1,0,1,1,1,1,0,1,0,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,0 | |
| CCOC(=O)CC(C(=O)OCC)SP(=S)(OC)OC,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,1 | |
| C[N+]1(CCCC(C1)OC(=O)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C,0,0,0,1,0,0,1,0,1,1,0,1,0,0,0,0,1,0,0,0,1,1,0,0,1,1,0 | |
| CCC1(C(=O)N(C(=O)N1)C)C2=CC=CC=C2,1,0,0,1,1,1,1,0,1,0,1,1,0,0,0,1,1,0,1,1,1,1,0,0,0,1,1 | |
| O.O.O.O.O.[O-]S(=O)(=S)[O-].[Na+].[Na+],0,0,0,1,0,1,1,0,0,0,0,0,0,0,1,0,0,0,0,0,1,1,0,1,0,1,0 | |
| CC(C)NCC(COC1=CC=C(C=C1)CCOC)O,1,1,0,1,1,1,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,0,0,1,1,1,1 | |
| C1CCN(CC1)C2=NC(=N)N(C(=C2)N)O,0,1,0,0,1,0,1,0,0,1,0,1,1,0,1,1,1,0,0,1,0,0,0,0,1,0,0 | |
| CCO/N=C(/C1=NSC(=N1)NP(=O)(O)[O-])\C(=O)NC2C3N(C2=O)C(=C(CS3)SC4=NC(=CS4)C5=CC=[N+](C=C5)C)C(=O)O,1,1,0,0,1,0,1,0,1,0,0,1,0,0,1,1,1,0,1,0,0,1,0,0,1,1,1 | |
| CN(C)CCCOC1=NN(C2=CC=CC=C21)CC3=CC=CC=C3,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,0,1,0 | |
| C1CNC[C@@H]1N2CC/C(=C\C3=C(N4[C@@H]([C@@H](C4=O)NC(=O)/C(=C\5/NSC(=N5)N)/N=O)SC3)C(=O)O)/C2=O,0,1,0,0,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,0,1,1 | |
| C1CN=C(N1)CC2=CC=CC3=CC=CC=C32,0,1,0,1,1,0,1,0,0,0,0,1,0,0,1,0,1,0,1,0,1,0,0,0,0,1,1 | |
| CC(C)C1CCC(CC1)C(=O)NC(CC2=CC=CC=C2)C(=O)O,1,1,0,0,1,1,1,0,1,0,0,1,0,0,0,0,1,0,1,1,0,1,0,0,1,1,1 | |
| CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C,0,0,0,1,1,1,1,0,1,0,0,1,0,0,1,0,1,0,0,1,1,1,0,0,1,1,1 | |
| CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC,1,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1,1,0,1,1,1,1,0,1,1,1,1 | |
| C1C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)C3=CC=CC=C3,1,0,0,1,1,1,1,1,1,0,0,1,0,0,1,1,1,1,1,1,1,1,1,1,1,1,1 | |
| CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31,1,1,0,1,1,0,1,0,1,1,0,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 | |
| C/C=C(/C)\C(=O)O[C@H]1C(=C[C@@]23[C@@]1([C@@H](C(=C[C@H](C2=O)[C@H]4[C@H](C4(C)C)C[C@H]3C)CO)O)O)C,0,0,0,1,0,0,0,0,0,0,0,1,0,0,0,0,1,0,1,0,0,0,0,0,0,1,0 | |
| C1=CC(=C(C=C1N)O)C(=O)O,1,1,0,0,1,1,1,0,1,0,1,0,1,0,1,1,1,0,1,0,0,1,0,0,1,1,0 | |
| C1CNCC(C1C2=CC=C(C=C2)F)COC3=CC4=C(C=C3)OCO4,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1 | |
| CCCC(C)C1(C(=O)NC(=O)NC1=O)CC,1,0,0,0,1,0,1,0,1,0,0,1,0,0,1,1,1,0,0,1,1,0,0,0,1,1,0 | |
| CCC1(C(=O)NC(=O)NC1=O)C2=CC=CC=C2,1,1,0,0,1,1,1,1,1,0,0,1,0,0,1,1,1,1,0,1,1,1,0,1,1,1,0 | |
| C1=CC=C(C=C1)CCCC(=O)O,0,1,0,0,1,0,1,0,0,1,0,1,0,0,1,1,1,0,0,0,1,1,0,0,1,1,1 | |
| CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC(CC(CC(=O)O)O)O)O,1,1,0,1,1,1,1,1,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 | |
| C[C@@H]1CCN(CCN1C(=O)C2=C(C=CC(=C2)C)N3N=CC=N3)C4=NC5=C(O4)C=CC(=C5)Cl,0,0,0,0,1,0,1,1,0,0,0,0,0,0,0,0,0,0,1,1,1,0,0,0,0,1,0 | |
| CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0 | |
| C1C(=S)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F,0,0,0,0,0,0,1,1,0,0,0,1,0,0,0,0,0,0,0,0,1,0,0,0,0,1,0 | |
| C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3SC4=CC=CC=C42,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,0,1,1,1,1,1,1,1,1,1 | |
| COC1C(CC2CN3CCC4=C(C3CC2C1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)C6=CC(=C(C(=C6)OC)OC)OC,0,1,0,1,1,0,1,0,0,1,0,1,0,0,1,0,1,0,0,1,1,1,0,1,1,1,0 | |
| CC(C)CC(C1(CCC1)C2=CC=C(C=C2)Cl)N(C)C,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,1,0,1,1,1,1 | |
| CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)CN3CCN(CC3)C)NC4=NC=CC(=N4)C5=CN=CC=C5,1,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 | |
| CN1C(=O)N2C=NC(=C2N=N1)C(=O)N,1,1,0,1,1,1,1,1,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,1,1,1,1 | |
| CC1=C2[C@@H](C(=O)[C@@]3([C@H](C[C@@H]4[C@]([C@H]3[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)[C@@H]([C@H](C5=CC=CC=C5)NC(=O)OC(C)(C)C)O)O)OC(=O)C6=CC=CC=C6)(CO4)OC(=O)C)OC)C)OC,0,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 | |
| C1C(O1)CCl.C(CNCCNCCNCCN)N,1,1,0,0,0,1,1,0,1,0,0,1,0,0,0,0,1,0,0,1,1,0,0,0,1,1,0 | |
| CC(C)(C)NCC(COC1=NSN=C1N2CCOCC2)O,1,1,1,1,1,1,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,0 | |
| CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)C,1,1,0,0,0,0,1,0,0,0,0,0,1,0,0,1,1,1,0,0,0,0,0,0,0,1,0 | |
| C1CCC2=C(C1)C=CC=C2NC3=NCCN3,0,0,0,0,1,0,1,0,1,0,0,1,0,0,0,0,1,0,1,1,1,0,0,0,1,1,0 | |
| C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl,1,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1,1,0,0,1,1,1,0,1,1,1,1 | |
| CN1C2CCC1CC(C2)OC(=O)C3=CNC4=CC=CC=C43,0,1,0,0,0,0,1,0,1,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,1,1,0 | |
| CC(C)NC1=C(N=CC=C1)N2CCN(CC2)C(=O)C3=CC4=C(N3)C=CC(=C4)NS(=O)(=O)C,1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1 | |
| CCCCC[C@H](CC[C@@H]1[C@H](C[C@@H]2[C@H]1CC3=C(C2)C(=CC=C3)OCC(=O)O)O)O,0,1,0,0,1,1,1,1,0,0,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 | |
| CCCCC(=O)N(CC1=CC=C(C=C1)C2=CC=CC=C2C3=NNN=N3)C(C(C)C)C(=O)O,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 | |
| C=CC(CCC(=O)O)N,1,1,0,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,0,0,1,0,1,1 | |
| C1CC(OC1CO)N2C=CC(=NC2=O)N,1,1,0,1,1,1,1,1,1,1,0,1,0,0,1,1,1,1,1,1,1,1,0,1,1,1,1 | |
| CN1CCN(CC1)C(=O)OC2C3=NC=CN=C3C(=O)N2C4=NC=C(C=C4)Cl,1,1,0,1,1,1,1,1,1,1,1,1,0,1,1,1,1,1,1,1,1,1,1,1,1,1,1 | |
| C1CC2=C(C=CC(=C2)F)OC1C(CNCC(C3CCC4=C(O3)C=CC(=C4)F)O)O,0,1,0,0,1,0,1,0,1,1,0,1,0,0,1,1,1,0,0,1,1,1,0,1,1,1,1 | |
| C[N+]1(CCC2=CC(=C(C=C2[C@H]1CC3=CC(=C(C(=C3)OC)OC)OC)OC)OC)CCCOC(=O)CCC=CCCC(=O)OCCC[N+]4(CCC5=CC(=C(C=C5[C@H]4CC6=CC(=C(C(=C6)OC)OC)OC)OC)OC)C,0,0,0,0,0,1,0,0,1,0,0,1,0,0,1,0,1,0,0,1,0,0,0,0,1,1,1 | |
| CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC.C(=O)[C@@H]([C@H]([C@@H]([C@@H](C(=O)O)O)O)O)O,1,1,0,0,1,0,1,0,0,0,0,1,0,0,0,1,1,0,0,0,1,0,0,0,0,1,1 | |
| C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(COC(=O)C4)C,1,1,0,0,1,0,0,0,0,1,1,1,1,0,1,0,1,0,1,1,1,0,0,0,0,0,0 | |
| CC(C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N,1,1,0,1,1,1,1,0,0,0,0,1,0,0,1,1,1,1,1,1,0,1,0,0,1,1,0 | |
| CC1=NC2=C(N1)CCN(C3=CC=CC=C32)C(=O)C4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C6=CC=CC=C6,0,1,0,0,1,0,1,0,0,0,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 | |
| C(CS)N,1,1,0,1,1,1,1,1,1,0,1,1,0,0,1,1,1,0,1,0,1,1,0,0,0,1,1 | |
| [H+].[H+].CCOC1=CC=C(C=C1)C[C@@H](CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])N(CC(=O)[O-])CC(=O)[O-].[Gd+3],0,0,0,1,1,1,1,0,1,0,0,1,0,0,1,0,1,0,1,1,1,0,0,1,1,1,0 | |
| CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O.CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O,0,1,0,0,1,0,1,0,1,0,0,0,0,0,0,1,1,0,0,0,0,0,0,0,0,1,0 | |
| C1CN(CCC1NC(=O)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F)CCCCC4(C5=CC=CC=C5C6=CC=CC=C64)C(=O)NCC(F)(F)F,1,1,0,1,1,1,1,0,0,0,0,1,0,1,0,1,1,0,1,1,0,1,0,1,1,1,0 | |
| CC(C)(C(=O)O)OC1=CC=C(C=C1)CCNC(=O)C2=CC=C(C=C2)Cl,1,0,0,0,1,1,1,0,1,1,0,1,0,0,0,1,1,0,1,0,1,1,0,0,1,1,1 | |
| C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-],0,0,0,0,1,1,0,0,1,0,0,0,0,0,1,0,1,0,0,1,0,0,0,0,1,1,1 | |
| CC#CCC(C)[C@@H](C=CC1[C@@H](C[C@H]2[C@@H]1CC(=CCCCC(=O)O)C2)O)O,0,0,0,0,1,1,1,0,1,0,0,1,0,1,1,1,1,0,1,1,1,1,0,0,1,1,0 | |
| CC(OC(=O)C)OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)C(=NOC)C3=CC=CO3)COC(=O)N,1,1,0,0,1,1,1,1,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,1 | |
| CCOP(=O)(C(C)NC(=O)N(CCCl)N=O)OCC,1,0,0,0,1,0,1,0,0,0,1,1,0,0,1,1,1,0,0,1,0,1,0,0,0,1,0 | |
| C1CN(CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5,1,0,0,1,1,1,1,1,1,1,0,1,0,0,1,0,1,0,1,1,1,1,0,0,1,1,1 | |
| CCCCCN=C(N)NN/C=C/1\C=NC2=C1C=C(C=C2)CO,1,1,0,1,1,1,1,1,1,1,1,1,0,0,1,1,1,0,1,1,1,1,1,1,1,1,1 | |
| CC(C)C1=NC(=NC(=C1C=C[C@@H](C[C@H](CC(=O)O)O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C,1,1,0,0,1,1,1,0,1,1,0,1,0,0,0,1,1,0,1,1,1,1,0,0,1,1,1 | |
| CCN(CC)C(C)C(=O)C1=CC=CC=C1,0,0,0,1,1,1,1,0,0,1,0,1,0,0,0,1,1,0,0,1,1,1,0,0,1,1,1 | |
| CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CC3=CC=CC=C3)C(=O)O)C.C1=CC=C(C=C1)CNCCNCC2=CC=CC=C2,0,0,0,1,1,1,1,0,1,1,0,1,0,1,1,1,1,0,1,1,1,1,0,1,1,1,1 | |
| C[C@@H]1CCO[C@@H]2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)[O-].[Na+],1,1,0,0,1,1,1,0,1,0,0,1,1,0,0,1,1,0,1,0,1,1,0,1,0,1,0 | |
| C(=N)(N)N,0,1,0,0,1,0,1,0,0,0,0,1,0,0,1,1,1,0,1,1,1,1,0,0,1,1,0 | |
| [Cr],1,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0,0,0,0,0,0,0,0,0,1,1 | |
| CC1=C(C(=CC=C1)C)NC(=O)CN2CCN(CC2)CC(COC3=CC=CC=C3OC)O,0,1,0,1,1,1,1,0,0,1,0,1,0,0,1,1,1,0,0,1,1,1,0,1,1,1,1 | |
| CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCCCCC(C(=O)NC(C(=O)N1)CCCN)NC(=O)C(C(C)CC)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C2CSC(=N2)C(C(C)CC)N)CC(=O)N)CC(=O)O)CC3=CN=CN3)CC4=CC=CC=C4,0,0,0,0,0,0,1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,1,0,0,0,0,0 | |
| C[C@@H](C(=O)O)N.C1=CC(=CC=C1C[C@@H](C(=O)O)N)O.C(CCN)C[C@@H](C(=O)O)N.C(CC(=O)O)[C@@H](C(=O)O)N,1,1,0,1,1,1,1,0,1,1,1,1,1,0,1,1,1,0,1,1,1,1,0,0,1,1,1 | |
| CC[C@@H]1[C@@]2([C@@H]([C@@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H](C(=O)[C@H](C(=O)O1)C)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)OC)C)C)N(C(=O)O2)CCCCN4C=C(N=C4)C5=CN=CC=C5)C,1,1,0,1,1,1,1,0,1,1,0,1,0,0,1,1,1,0,1,1,1,1,0,1,1,1,1 | |