| drugbank_id,smiles |
| DB04571,CC1=CC2=CC3=C(OC(=O)C=C3C)C(C)=C2O1 |
| DB00460,COC(=O)CCC1=C2NC(\C=C3/N=C(/C=C4\N\C(=C/C5=N/C(=C\2)/C(CCC(O)=O)=C5C)C(C=C)=C4C)C2=CC=C([C@@H](C(=O)OC)[C@@]32C)C(=O)OC)=C1C |
| DB00855,NCC(=O)CCC(O)=O |
| DB09536,O=[Ti]=O |
| DB01878,O=C(C1=CC=CC=C1)C1=CC=CC=C1 |
| DB00140,CC1=C(C)C=C2N(C[C@H](O)[C@H](O)[C@H](O)CO)C3=NC(=O)NC(=O)C3=NC2=C1 |
| DB00821,CC(C(O)=O)C1=CC2=C(C=C1)C1=C(N2)C=CC(Cl)=C1 |
| DB00390,[H][C@]12CC[C@]3([H])[C@]([H])(C[C@@H](O)[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1 |
| DB01229,[H][C@]12[C@H](OC(=O)C3=CC=CC=C3)[C@]3(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)C4=CC=CC=C4)C4=CC=CC=C4)C(C)=C([C@@H](OC(C)=O)C(=O)[C@]1(C)[C@@H](O)C[C@H]1OC[C@@]21OC(C)=O)C3(C)C |
| DB01248,[H][C@@]12C[C@H](O)[C@@]3(C)C(=O)[C@H](O)C4=C(C)[C@H](C[C@@](O)([C@@H](OC(=O)C5=CC=CC=C5)[C@]3([H])[C@@]1(CO2)OC(C)=O)C4(C)C)OC(=O)[C@H](O)[C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1 |
| DB06772,[H][C@@](O)([C@@H](NC(=O)OC(C)(C)C)C1=CC=CC=C1)C(=O)O[C@@]1([H])C[C@@]2(O)[C@@]([H])(OC(=O)C3=CC=CC=C3)[C@]3([H])[C@@]4(CO[C@]4([H])C[C@]([H])(OC)[C@@]3(C)C(=O)[C@]([H])(OC)C(=C1C)C2(C)C)OC(C)=O |
| DB01396,[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@H](CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@@H](C2)O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@H]3C[C@H](O)[C@H](O)[C@@H](C)O3)[C@@H](C)O2)[C@@H](C)O1 |
| DB01092,[H][C@@]12CC[C@]3(O)C[C@H](C[C@@H](O)[C@]3(CO)[C@@]1([H])[C@H](O)C[C@]1(C)[C@H](CC[C@]21O)C1=CC(=O)OC1)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O |
| DB01600,CC(C(O)=O)C1=CC=C(S1)C(=O)C1=CC=CC=C1 |
| DB00278,C[C@@H]1CCN([C@H](C1)C(O)=O)C(=O)[C@H](CCCN=C(N)N)NS(=O)(=O)C1=CC=CC2=C1NC[C@H](C)C2 |
| DB00615,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(=O)C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)=C1NC3(CCN(CC3)CC(C)C)N=C21 |
| DB00252,O=C1NC(=O)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| DB01045,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(O)C(\C=N\N4CCN(C)CC4)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(O)=C2C(O)=C3C |
| DB01320,OP(O)(=O)OCN1C(=O)NC(C1=O)(C1=CC=CC=C1)C1=CC=CC=C1 |
| DB00794,CCC1(C(=O)NCNC1=O)C1=CC=CC=C1 |
| DB00312,CCCC(C)C1(CC)C(=O)NC(=O)NC1=O |
| DB00238,CC1=C2NC(=O)C3=C(N=CC=C3)N(C3CC3)C2=NC=C1 |
| DB01201,CO[C@H]1\C=C\O[C@@]2(C)OC3=C(C2=O)C2=C(C(O)=C3C)C(O)=C(NC(=O)\C(C)=C/C=C/[C@H](C)[C@H](O)[C@@H](C)[C@@H](O)[C@@H](C)[C@H](OC(C)=O)[C@@H]1C)C(\C=N\N1CCN(CC1)C1CCCC1)=C2O |
| DB00673,C[C@@H](O[C@H]1OCCN(CC2=NNC(=O)N2)[C@H]1C1=CC=C(F)C=C1)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F |
| DB00559,COC1=CC=CC=C1OC1=C(NS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)N=C(N=C1OCCO)C1=NC=CC=N1 |
| DB09280,CC1=CC=C(NC(=O)C2(CC2)C2=CC=C3OC(F)(F)OC3=C2)N=C1C1=CC(=CC=C1)C(O)=O |
| DB00688,COC1=C(C\C=C(/C)CCC(=O)OCCN2CCOCC2)C(O)=C2C(=O)OCC2=C1C |
| DB01296,N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O |
| DB06736,OC(=O)COC(=O)CC1=CC=CC=C1NC1=C(Cl)C=CC=C1Cl |
| DB06739,CC1=C(C)C(=O)C(C(CCCCCC(O)=O)C2=CC=CC=C2)=C(C)C1=O |
| DB09218,CC1=C(NC2=C(C=CC=N2)C(O)=O)C=CC=C1Cl |
| DB00814,CN1C(C(=O)NC2=NC=C(C)S2)=C(O)C2=C(C=CC=C2)S1(=O)=O |
| DB00573,CC(C(O)=O)C1=CC(OC2=CC=CC=C2)=CC=C1 |
| DB09030,[H]\C(=C(\[H])[C@]1([H])[C@]2([H])[C@@]([H])(C)OC(=O)[C@]2([H])C[C@]2([H])C[C@@]([H])(CC[C@@]12[H])N=C(O)OCC)C1=NC=C(C=C1)C1=CC(F)=CC=C1 |
| DB00744,CC(N(O)C(N)=O)C1=CC2=CC=CC=C2S1 |
| DB04743,CS(=O)(=O)NC1=C(OC2=CC=CC=C2)C=C(C=C1)[N+]([O-])=O |
| DB00963,NC1=C(CC(O)=O)C=CC=C1C(=O)C1=CC=C(Br)C=C1 |
| DB05266,CC(C)C(=O)C1=C2C=CC=CN2N=C1C(C)C |
| DB01399,OC(=O)C1=CC=CC=C1OC(=O)C1=CC=CC=C1O |
| DB01435,CN1N(C(=O)C=C1C)C1=CC=CC=C1 |
| DB01207,OC(=O)CCCCO\N=C(\C1=CN=CC=C1)C1=CC(=CC=C1)C(F)(F)F |
| DB06737,CC(C(O)=O)C1=CC=C2SC3=C(C=CC=C3)C(=O)CC2=C1 |
| DB00775,CCCCS(=O)(=O)N[C@@H](CC1=CC=C(OCCCCC2CCNCC2)C=C1)C(O)=O |
| DB00975,OCCN(CCO)C1=NC2=C(N=C(N=C2N2CCCCC2)N(CCO)CCO)C(=N1)N1CCCCC1 |
| DB08994,OCCN(CCO)C1=NC(=C(O1)C1=CC=CC=C1)C1=CC=CC=C1 |
| DB00412,CN(CCOC1=CC=C(CC2SC(=O)NC2=O)C=C1)C1=CC=CC=N1 |
| DB07615,COC1=CC=C(\C=C\C(=O)NC2=CC=CC=C2C(O)=O)C=C1OC |
| DB06802,NC(=O)CC1=CC=CC(C(=O)C2=CC=CC=C2)=C1N |
| DB08887,CCOC(=O)CCC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC |
| DB01236,FCOC(C(F)(F)F)C(F)(F)F |
| DB00179,C[C@@H](CC1=CC(O)=C(O)C=C1)[C@H](C)CC1=CC(O)=C(O)C=C1 |
| DB09215,CN1C2=C(OC(=O)N(C2=O)C2=CC=CC=N2)C2=CC=CC=C2S1(=O)=O |
| DB00768,CN(C)CC\C=C1\C2=CC=CC=C2COC2=C1C=C(CC(O)=O)C=C2 |
| DB00806,CN1C=NC2=C1C(=O)N(CCCCC(C)=O)C(=O)N2C |
| DB09084,CN(C)CCCOC1=NN(CC2=CC=CC=C2)C2=CC=CC=C12 |
| DB06206,O[C@@H]1[C@@H](O)[C@@H]2O[C@H]3O[C@H](CSCCC(O)=O)[C@@H](O[C@H]4O[C@H](CSCCC(O)=O)[C@@H](O[C@H]5O[C@H](CSCCC(O)=O)[C@@H](O[C@H]6O[C@H](CSCCC(O)=O)[C@@H](O[C@H]7O[C@H](CSCCC(O)=O)[C@@H](O[C@H]8O[C@H](CSCCC(O)=O)[C@@H](O[C@H]9O[C@H](CSCCC(O)=O)[C@@H](O[C@H]1O[C@@H]2CSCCC(O)=O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O |
| DB00932,[H][C@@](CC)(C1=CC(NS(=O)(=O)C2=NC=C(C=C2)C(F)(F)F)=CC=C1)C1=C(O)C[C@@](CCC)(CCC2=CC=CC=C2)OC1=O |
| DB13167,OC(=O)CC1=CC(Cl)=C(OCC=C)C=C1 |
| DB09075,CN(C)C(=O)[C@H]1CC[C@H](NC(=O)C(=O)NC2=NC=C(Cl)C=C2)[C@@H](C1)NC(=O)C1=NC2=C(CN(C)CC2)S1 |
| DB01014,OC(=O)CCNC(=O)C1=CC=C(C=C1)\N=N\C1=CC=C(O)C(=C1)C(O)=O |
| DB06196,[H][C@]12CC(N(C(=O)C3CC4=CC=CC=C4CN3C(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=CS3)NC(=O)CNC(=O)C3C[C@@H](O)CN3C(=O)C3CCCN3C(=O)C(CCCN=C(N)N)NC(=O)[C@H](N)CCCN=C(N)N)[C@@]1([H])CCCC2)C(=O)N[C@@H](CCCN=C(N)N)C(O)=O |
| DB00235,CC1=C(C=C(C#N)C(=O)N1)C1=CC=NC=C1 |
| DB00712,CC(C(O)=O)C1=CC(F)=C(C=C1)C1=CC=CC=C1 |
| DB00465,OC(=O)C1CCN2C1=CC=C2C(=O)C1=CC=CC=C1 |
| DB00461,COC1=CC2=C(C=C1)C=C(CCC(C)=O)C=C2 |
| DB08816,CCCSC1=NC2=C(N=NN2[C@@H]2C[C@H](OCCO)[C@@H](O)[C@H]2O)C(N[C@@H]2C[C@H]2C2=CC(F)=C(F)C=C2)=N1 |
| DB01628,CC1=NC=C(C=C1)C1=C(C=C(Cl)C=N1)C1=CC=C(C=C1)S(C)(=O)=O |
| DB00751,NC1=NCC2N1C1=CC=CC=C1CC1=CC=CC=C21 |
| DB11362,CC(C)N(CCCCOCC(=O)NS(C)(=O)=O)C1=NC(C2=CC=CC=C2)=C(N=C1)C1=CC=CC=C1 |
| DB01397,[Mg++].OC1=CC=CC=C1C([O-])=O.OC1=CC=CC=C1C([O-])=O |
| DB00939,CC1=C(Cl)C(NC2=CC=CC=C2C(O)=O)=C(Cl)C=C1 |
| DB01088,[H][C@]12C[C@@H](O)[C@H](\C=C\[C@@H](O)C(C)CC#CC)[C@@]1([H])C\C(C2)=C\CCCC(O)=O |
| DB00482,CC1=CC=C(C=C1)C1=CC(=NN1C1=CC=C(C=C1)S(N)(=O)=O)C(F)(F)F |
| DB00758,[H][C@@](N1CCC2=C(C1)C=CS2)(C(=O)OC)C1=CC=CC=C1Cl |
| DB00605,CC1=C(CC(O)=O)C2=CC(F)=CC=C2\C1=C/C1=CC=C(C=C1)S(C)=O |
| DB00770,CCCCC[C@H](O)C=C[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(O)=O |
| DB08439,CCC(=O)NS(=O)(=O)C1=CC=C(C=C1)C1=C(C)ON=C1C1=CC=CC=C1 |
| DB03585,CCCCC1C(=O)N(N(C1=O)C1=CC=C(O)C=C1)C1=CC=CC=C1 |
| DB00735,CN(CC=CC1=CC=CC=C1)CC1=CC=CC2=CC=CC=C12 |
| DB00608,CCN(CC)CCCC(C)NC1=C2C=CC(Cl)=CC2=NC=C1 |
| DB06725,CN1C(C(=O)NC2=CC=CC=N2)=C(O)C2=C(C=C(Cl)S2)S1(=O)=O |
| DB00500,CN1C(CC(O)=O)=CC=C1C(=O)C1=CC=C(C)C=C1 |
| DB00163,CC(C)CCC[C@@H](C)CCC[C@@H](C)CCC[C@]1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C |
| DB00266,OC1=C(CC2=C(O)C3=C(OC2=O)C=CC=C3)C(=O)OC2=C1C=CC=C2 |
| DB00991,OC(=O)CCC1=NC(=C(O1)C1=CC=CC=C1)C1=CC=CC=C1 |
| DB00006,CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)CNC(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1=CC=CC=C1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC1=CC=C(O)C=C1)C(=O)N[C@@H](CC(C)C)C(O)=O |
| DB00176,COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F |
| DB00285,COC1=CC=C(C=C1)C(CN(C)C)C1(O)CCCCC1 |
| DB00834,[H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@H](C1=CC=C(C=C1)N(C)C)C1=C3CCC(=O)C=C3CC[C@@]21[H] |
| DB00196,OC(CN1C=NC=N1)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1 |
| DB01319,CC(C)CN(C[C@@H](OP(O)(O)=O)[C@H](CC1=CC=CC=C1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)C1=CC=C(N)C=C1 |
| DB00220,[H][C@@]12CCCC[C@]1([H])CN(C[C@@H](O)[C@H](CSC1=CC=CC=C1)NC(=O)C1=C(C)C(O)=CC=C1)[C@@H](C2)C(=O)NC(C)(C)C |
| DB00648,ClC(Cl)C(C1=CC=C(Cl)C=C1)C1=CC=CC=C1Cl |
| DB00582,C[C@@H](C1=NC=NC=C1F)[C@](O)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1 |
| DB09123,[H][C@@]12CC[C@@](O)(CC#N)[C@@]1(C)CCC1=C3CCC(=O)C=C3CC[C@@]21[H] |
| DB01167,CCC(C)N1N=CN(C1=O)C1=CC=C(C=C1)N1CCN(CC1)C1=CC=C(OC[C@H]2CO[C@@](CN3C=NC=N3)(O2)C2=C(Cl)C=C(Cl)C=C2)C=C1 |
| DB00257,ClC1=CC=CC=C1C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1 |
| DB00243,COC1=CC=CC=C1OCC(O)CN1CCN(CC(=O)NC2=C(C)C=CC=C2C)CC1 |
| DB01026,CC(=O)N1CCN(CC1)C1=CC=C(OCC2COC(CN3C=CN=C3)(O2)C2=CC=C(Cl)C=C2Cl)C=C1 |
| DB00304,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCCC=C3CC[C@@]21[H] |
| DB06730,CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]34)[C@@H]1C=C[C@@]2(O)C#C |
| DB04855,CCCCN(CCCC)CCCOC1=CC=C(C=C1)C(=O)C1=C(CCCC)OC2=C1C=C(NS(C)(=O)=O)C=C2 |
| DB00603,[H][C@@]12CC[C@](OC(C)=O)(C(C)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C[C@H](C)C2=CC(=O)CC[C@]12C |
| DB01264,[H][C@@]12CCO[C@]1([H])OC[C@@H]2OC(=O)N[C@@H](CC1=CC=CC=C1)[C@H](O)CN(CC(C)C)S(=O)(=O)C1=CC=C(N)C=C1 |
| DB00188,CC(C)C[C@H](NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C1=CN=CC=N1)B(O)O |
| DB00270,COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC2=NON=C12)C(=O)OC(C)C |
| DB00224,CC(C)(C)NC(=O)[C@@H]1CN(CC2=CN=CC=C2)CCN1C[C@@H](O)C[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]1[C@H](O)CC2=CC=CC=C12 |
| DB00976,[H][C@@]12[C@@H](C)C(=O)[C@H](C)C[C@@](C)(OC)[C@H](O[C@@H]3O[C@H](C)C[C@@H]([C@H]3O)N(C)C)[C@@H](C)C(=O)[C@@H](C)C(=O)O[C@H](CC)[C@@]1(C)OC(=O)N2CCCCN1C=NC(=C1)C1=CC=CN=C1 |
| DB00367,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |
| DB01072,COC(=O)N[C@H](C(=O)N[C@@H](CC1=CC=CC=C1)[C@@H](O)CN(CC1=CC=C(C=C1)C1=CC=CC=N1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |
| DB00294,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(CC)CC(=C)[C@]1([H])[C@@]3([H])CCC(=O)C=C3CC[C@@]21[H] |
| DB01232,[H][C@@](O)(CN1C[C@@]2([H])CCCC[C@@]2([H])C[C@@]1([H])C(O)=NC(C)(C)C)[C@]([H])(CC1=CC=CC=C1)N=C(O)[C@]([H])(CC(O)=N)NC(=O)C1=NC2=CC=CC=C2C=C1 |
| DB00320,[H][C@@]12CCCN1C(=O)[C@H](CC1=CC=CC=C1)N1C(=O)[C@](C)(NC(=O)[C@H]3CN(C)[C@]4([H])CC5=CNC6=CC=CC(=C56)[C@@]4([H])C3)O[C@@]21O |
| DB04575,[H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)CC[C@]1([H])C3=C(CC[C@@]21[H])C=C(OC1CCCC1)C=C3 |
| DB09118,CC(C)(C)C(O)\C=C\C1=CC2=C(OCO2)C=C1 |
| DB09063,CC(C)OC1=C(NC2=NC=C(Cl)C(N2)=NC2=CC=CC=C2S(=O)(=O)C(C)C)C=C(C)C(=C1)C1CCNCC1 |
| DB08881,CCCS(=O)(=O)NC1=C(F)C(C(=O)C2=CNC3=NC=C(C=C23)C2=CC=C(Cl)C=C2)=C(F)C=C1 |
| DB09053,NC1=NC=NC2=C1C(=NN2[C@@H]1CCCN(C1)C(=O)C=C)C1=CC=C(OC2=CC=CC=C2)C=C1 |
| DB06290,[H]\C1=C([H])\[C@]2([H])C[C@]2(N=C(O)[C@]2([H])C[C@]([H])(C[C@@]2([H])C(=O)N(C)CCCC1)OC1=C2C=CC(OC)=C(C)C2=NC(=C1)C1=NC(=CS1)C(C)C)C(O)=NS(=O)(=O)C1CC1 |
| DB09048,CN(C(=O)C(C)(C)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)C1=CN=C(C=C1C1=CC=CC=C1C)N1CCN(C)CC1 |
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| DB00705,CC(C)NC1=C(N=CC=C1)N1CCN(CC1)C(=O)C1=CC2=C(N1)C=CC(NS(C)(=O)=O)=C2 |
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| DB00671,[H][C@]12SCC(C=C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OCC(O)=O)\C1=CSC(N)=N1)C(O)=O |
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| DB00788,COC1=CC2=C(C=C1)C=C(C=C2)[C@H](C)C(O)=O |
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| DB01283,CC1=CC=C(NC2=C(Cl)C=CC=C2F)C(CC(O)=O)=C1 |
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| DB01208,C[C@H]1CN(C[C@@H](C)N1)C1=C(F)C(N)=C2C(=O)C(=CN(C3CC3)C2=C1F)C(O)=O |
| DB06209,CC(=O)OC1=CC2=C(CCN(C2)C(C(=O)C2CC2)C2=CC=CC=C2F)S1 |
| DB00374,[H][C@]12C[C@@H](O)[C@H](CC[C@@H](O)CCCCC)[C@@]1([H])CC1=C(C2)C(OCC(O)=O)=CC=C1 |
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| DB06605,COC1=CC=C(C=C1)N1N=C(C(N)=O)C2=C1C(=O)N(CC2)C1=CC=C(C=C1)N1CCCCC1=O |
| DB01039,CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C1=CC=C(Cl)C=C1 |
| DB00328,COC1=CC2=C(C=C1)N(C(=O)C1=CC=C(Cl)C=C1)C(C)=C2CC(O)=O |
| DB00945,CC(=O)OC1=CC=CC=C1C(O)=O |
| DB09216,CC1=C(Cl)C=CC=C1NC1=CC=CC=C1C(O)=O |
| DB00261,ClC1=CC=C2N=C3NC(=O)CN3CC2=C1Cl |
| DB00210,COC1=C(C=C(C=C1)C1=CC2=C(C=C1)C=C(C=C2)C(O)=O)C12CC3CC(CC(C3)C1)C2 |
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| DB00689,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O |
| DB00661,COC1=C(OC)C=C(CCN(C)CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)C=C1 |
| DB00567,[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O |
| DB08797,NC(=O)C1=CC=CC=C1O |
| DB01050,CC(C)CC1=CC=C(C=C1)C(C)C(O)=O |
| DB01060,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O |
| DB08860,O[C@H](C[C@H](O)\C=C\C1=C(N=C2C=CC=CC2=C1C1=CC=C(F)C=C1)C1CC1)CC(O)=O |
| DB00274,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)CSCC#N)OC)C(O)=O |
| DB09289,CN1C2=CC=CC=C2C(NCCCCCCC(O)=O)C2=C(C=C(Cl)C=C2)S1(=O)=O |
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| DB00446,OC[C@@H](NC(=O)C(Cl)Cl)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O |
| DB09324,[H][C@@]12CC(=O)N1[C@@]([H])(C(O)=O)C(C)(C)S2(=O)=O |
| DB00208,ClC1=CC=CC=C1CN1CCC2=C(C1)C=CS2 |
| DB06441,CSCCNC1=C2N=CN([C@@H]3O[C@H](COP(O)(=O)OP(O)(=O)C(Cl)(Cl)P(O)(O)=O)[C@@H](O)[C@H]3O)C2=NC(SCCC(F)(F)F)=N1 |
| DB01009,CC(C(O)=O)C1=CC(=CC=C1)C(=O)C1=CC=CC=C1 |
| DB01000,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1(N)CCCCC1)C(O)=O |
| DB09212,CC(C(O)=O)C1=CC=C(CC2CCCC2=O)C=C1 |
| DB00554,CN1C(C(=O)NC2=NC=CC=C2)=C(O)C2=C(C=CC=C2)S1(=O)=O |
| DB00682,CC(=O)CC(C1=CC=CC=C1)C1=C(O)C2=C(OC1=O)C=CC=C2 |
| DB00936,OC(=O)C1=CC=CC=C1O |
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| DB01414,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CC#N)C(O)=O |
| DB06718,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC3=NNC=C3C[C@]12C |
| DB01059,CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCNCC1 |
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| DB00343,COC1=CC=C(C=C1)[C@@H]1SC2=CC=CC=C2N(CCN(C)C)C(=O)[C@@H]1OC(C)=O |
| DB00175,[H][C@]12[C@H](C[C@H](O)C=C1C=C[C@H](C)[C@@H]2CC[C@@H](O)C[C@@H](O)CC(O)=O)OC(=O)[C@@H](C)CC |
| DB00602,CO[C@H]1C[C@@H](O[C@@H](C)[C@@H]1O)O[C@H]1[C@H](C)O[C@H](C[C@@H]1OC)O[C@H]1[C@@H](C)\C=C\C=C2/CO[C@@H]3[C@H](O)C(C)=C[C@@H](C(=O)O[C@H]4C[C@@H](C\C=C1/C)O[C@@]1(CC[C@H](C)[C@@H](C(C)C)O1)C4)[C@]23O.CC[C@@H](C)[C@H]1O[C@@]2(CC[C@@H]1C)O[C@@H]1C\C=C(C)\[C@@H](O[C@@H]3O[C@@H](C)[C@H](O[C@@H]4O[C@@H](C)[C@H](O)[C@@H](OC)C4)[C@@H](OC)C3)[C@@H](C)\C=C\C=C3/CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O[C@@H](C1)C2)[C@]34O |
| DB00337,[H][C@]1(CC[C@H](Cl)[C@@H](C1)OC)\C=C(/C)[C@@]1([H])OC(=O)[C@]2([H])CCCCN2C(=O)C(=O)[C@]2(O)O[C@@]([H])([C@H](C[C@H]2C)OC)[C@H](C[C@@H](C)C\C(C)=C\[C@@H](CC)C(=O)C[C@H](O)[C@H]1C)OC |
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| DB00472,CNCCC(OC1=CC=C(C=C1)C(F)(F)F)C1=CC=CC=C1 |
| DB00833,[H][C@]12SCC(Cl)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(O)=O |
| DB00827,CCN1N=C(C(O)=O)C(=O)C2=CC3=C(OCO3)C=C12 |
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| DB00316,CC(=O)NC1=CC=C(O)C=C1 |
| DB00317,COC1=C(OCCCN2CCOCC2)C=C2C(NC3=CC(Cl)=C(F)C=C3)=NC=NC2=C1 |
| DB00222,[H][C@]1(C)CC[C@@]([H])(CC1)N=C(O)NS(=O)(=O)C1=CC=C(CCN=C(O)N2CC(C)=C(CC)C2=O)C=C1 |
| DB00229,[H][C@]12SCC(CSC3=NN=NN3CCN(C)C)=C(N1C(=O)[C@H]2NC(=O)CC1=CSC(N)=N1)C(O)=O |
| DB01606,[H][C@@]12CC(=O)N1[C@@H](C(O)=O)[C@](C)(CN1C=CN=N1)S2(=O)=O |
| DB08981,OC(=O)CCC(=O)C1=CC=C(C=C1)C1=CC=CC=C1 |
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| DB01185,[H][C@@]12CC[C@](C)(O)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])CCC2=CC(=O)CC[C@]12C |
| DB00583,C[N+](C)(C)C[C@H](O)CC([O-])=O |
| DB00861,OC(=O)C1=C(O)C=CC(=C1)C1=C(F)C=C(F)C=C1 |
| DB00543,ClC1=CC2=C(OC3=CC=CC=C3N=C2N2CCNCC2)C=C1 |
| DB00438,[O-]C(=O)C1=C(CS[C@]2([H])[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\C3=CSC(N)=N3)C(=O)N12)C[N+]1=CC=CC=C1 |
| DB00437,O=C1N=CN=C2NNC=C12 |
| DB00267,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O |
| DB00621,[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)OC[C@]12C |
| DB00467,CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(N=C12)N1CCNCC1 |
| DB00468,[H][C@]1(C[C@@H]2CC[N@]1C[C@@H]2C=C)[C@H](O)C1=CC=NC2=CC=C(OC)C=C12 |
| DB01140,[H][C@]12SCC(C)=C(N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O |
| DB00487,CCN1C=C(C(O)=O)C(=O)C2=CC(F)=C(C=C12)N1CCN(C)CC1 |
| DB01605,[H]C(=N[C@@H]1C(=O)N2[C@@H](C(=O)OCOC(=O)C(C)(C)C)C(C)(C)S[C@]12[H])N1CCCCCC1 |
| DB01604,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(=O)OCOC(=O)C(C)(C)C |
| DB01603,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C1=C(OC)C=CC=C1OC)C(O)=O |
| DB00359,NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CC=N1 |
| DB01328,[H][C@]12SCC(CSC3=NN=NN3CS(O)(=O)=O)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C1=CC=CC=C1)C(O)=O |
| DB01327,[H][C@]12SCC(CSC3=NN=C(C)S3)=C(N1C(=O)[C@H]2NC(=O)CN1C=NN=N1)C(O)=O |
| DB01326,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@H]2NC(=O)[C@H](O)C1=CC=CC=C1)C(O)=O |
| DB00227,[H][C@]12[C@H](C[C@@H](C)C=C1C=C[C@H](C)[C@@H]2CC[C@@H]1C[C@@H](O)CC(=O)O1)OC(=O)[C@@H](C)CC |
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| DB01151,CNCCCN1C2=CC=CC=C2CCC2=CC=CC=C12 |
| DB01331,[H][C@]12SCC(COC(N)=O)=C(N1C(=O)[C@]2(NC(=O)CC1=CC=CS1)OC)C(O)=O |
| DB01212,[H][C@]12SCC(CSC3=NC(=O)C(=O)NN3C)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O |
| DB01242,CN(C)CCCN1C2=CC=CC=C2CCC2=C1C=C(Cl)C=C2 |
| DB01602,[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)[C@H](N)C1=CC=CC=C1)C(=O)OC(C)OC(=O)OCC |
| DB00456,[H][C@]12SCC(COC(C)=O)=C(N1C(=O)[C@H]2NC(=O)CC1=CC=CS1)C(O)=O |
| DB00636,CCOC(=O)C(C)(C)OC1=CC=C(Cl)C=C1 |
| DB09008,[H][C@]12SCC(C[N+]3=CC=CC=C3)=C(N1C(=O)[C@@]2([H])N=C(O)CC1=CC=CS1)C([O-])=O |
| DB04576,CN1CCN(CC1)C1=C(F)C=C2C(=O)C(=CN(CCF)C2=C1F)C(O)=O |
| DB04574,C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(OS(O)(=O)=O)=C4)[C@@H]1CCC2=O |
| DB00779,CCN1C=C(C(O)=O)C(=O)C2=C1N=C(C)C=C2 |
| DB01044,COC1=C2N(C=C(C(O)=O)C(=O)C2=CC(F)=C1N1CCNC(C)C1)C1CC1 |
| DB01137,C[C@H]1COC2=C3N1C=C(C(O)=O)C(=O)C3=CC(F)=C2N1CCN(C)CC1 |
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| DB02659,[H][C@@](C)(CCC(O)=O)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C[C@]4([H])C[C@]([H])(O)CC[C@]4(C)[C@@]3([H])C[C@]([H])(O)[C@]12C |
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| DB01128,CC(O)(CS(=O)(=O)C1=CC=C(F)C=C1)C(=O)NC1=CC(=C(C=C1)C#N)C(F)(F)F |
| DB09275,[K+].[K+].[K+].[Bi+3].OC(=O)CC(O)(CC([O-])=O)C(O)=O.OC(=O)CC(O)(CC([O-])=O)C(O)=O |
| DB01370,[Al] |
| DB01390,[Na+].OC([O-])=O |
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| DB09095,[H][C@@]12C[C@@H](C)[C@H](C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1(F)[C@@]2([H])C[C@H](F)C2=CC(=O)C=C[C@]12C |
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| DB00240,[H][C@@]12C[C@@H](C)[C@](O)(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])[C@H](Cl)CC2=CC(=O)C=C[C@]12C |
| DB01410,[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4([H])[C@@H](O)C[C@]3(C)[C@@]1(O[C@@H](O2)C1CCCCC1)C(=O)COC(=O)C(C)C |
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| DB00288,[H][C@@]12C[C@@]3([H])[C@]4([H])CCC5=CC(=O)C=C[C@]5(C)[C@@]4(F)[C@@H](O)C[C@]3(C)[C@@]1(OC1(CCCC1)O2)C(=O)COC(C)=O |
| DB01222,[H][C@@]12C[C@H]3OC(CCC)O[C@@]3(C(=O)CO)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)C=C[C@]12C |
| DB11093,[Ca++].[Ca++].[Ca++].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O |
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| DB01164,[Cl-].[Cl-].[Ca++] |
| DB00258,[Ca++].CC([O-])=O.CC([O-])=O |
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| DB11348,[Ca++].[Ca++].[Ca++].[O-]P([O-])([O-])=O.[O-]P([O-])([O-])=O |
| DB01078,C[C@H]1O[C@H](C[C@H](O)[C@@H]1O[C@H]1C[C@H](O)[C@H](O[C@H]2C[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H](C)O2)[C@@H](C)O1)O[C@H]1CC[C@@]2(C)[C@H](CC[C@@H]3[C@@H]2C[C@@H](O)[C@]2(C)[C@H](CC[C@]32O)C2=CC(=O)OC2)C1 |
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| DB00884,OC(CC1=CN=CC=C1)(P(O)(O)=O)P(O)(O)=O |
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| DB06774,COC1=C(O)C=CC(CNC(=O)CCCC\C=C\C(C)C)=C1 |
| DB08811,CCC1C2=CC(OC)=C(OC)C=C2C(=NN=C1C)C1=CC(OC)=C(OC)C=C1 |
| DB01764,[H]\C1=C(\[H])/C(/C)=C([H])/[C@@]([H])(O)CC(=O)CC2=NC(=CO2)C(=O)N2CC[C@]([H])([C@]2([H])C(=O)O[C@]([H])(C(C)C)[C@]([H])(C)\C([H])=C([H])\C(O)=NC1)S(=O)(=O)CCN(CC)CC |
| DB01301,[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCN1CCCC1)=C(O)[C@H]2N(C)C |
| DB01559,CCC1=CC2=C(S1)N(C)C(=O)CN=C2C1=CC=CC=C1Cl |
| DB08828,CS(=O)(=O)C1=CC(Cl)=C(C=C1)C(=O)NC1=CC=C(Cl)C(=C1)C1=CC=CC=N1 |
| DB01094,COC1=C(O)C=C(C=C1)[C@@H]1CC(=O)C2=C(O)C=C(O)C=C2O1 |
| DB01051,CO[C@@H]1[C@@H](OC(N)=O)[C@@H](O)[C@H](OC2=C(C)C3=C(C=C2)C(O)=C(NC(=O)C2=CC=C(O)C(CC=C(C)C)=C2)C(=O)O3)OC1(C)C |
| DB00530,COCCOC1=C(OCCOC)C=C2C(NC3=CC=CC(=C3)C#C)=NC=NC2=C1 |
| DB06709,CC(C[N+](C)(C)C)OC(C)=O |
| DB01273,[H][C@]12C[C@]([H])(CNC1)C1=CC3=NC=CN=C3C=C21 |
| DB01019,CC(C[N+](C)(C)C)OC(N)=O |
| DB03128,CC(=O)OCC[N+](C)(C)C |
| DB01085,CC[C@H]1[C@@H](CC2=CN=CN2C)COC1=O |
| DB01228,COC1=CC=C(C=C1)C(=O)NC1=CC=CC=C1CCC1CCCCN1C |
| DB11633,[H][C@](C)(C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=NC=N1)C1=C(F)C=CC(F)=C1 |
| DB01107,CCC1(CC)C(=O)NCC(C)C1=O |
| DB00134,CSCC[C@H](N)C(O)=O |
| DB00665,CC1(C)NC(=O)N(C1=O)C1=CC(=C(C=C1)[N+]([O-])=O)C(F)(F)F |
| DB01424,CN(C)C1=C(C)N(C)N(C1=O)C1=CC=CC=C1 |
| DB00730,N1C2=CC=CC=C2N=C1C1=CSC=N1 |
| DB12161,[2H]C([2H])([2H])OC1=CC2=C(C=C1OC([2H])([2H])[2H])[C@@H]1CC(=O)[C@@H](CC(C)C)CN1CC2 |
| DB01429,CCN(CC)CCCN(C1CC2=CC=CC=C2C1)C1=CC=CC=C1 |
| DB01610,CC(C)[C@H](N)C(=O)OCC(CO)OCN1C=NC2=C1NC(N)=NC2=O |
| DB00811,NC(=O)C1=NN(C=N1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O |
| DB00336,NC(=O)N\N=C\C1=CC=C(O1)[N+]([O-])=O |
| DB08867,CN(C)C1=CC=C(C=C1)[C@H]1C[C@@]2(C)[C@@H](CC[C@]2(O)C(C)=O)[C@@H]2CCC3=CC(=O)CCC3=C12 |
| DB08824,[H][C@]12CC[C@]([H])([C@H]([C@H](C1)C1=CC=C([123I])C=C1)C(=O)OC)N2CCCF |
| DB09273,CN1C2=C(N(CC3OCCO3)C=N2)C(=O)N(C)C1=O |
| DB06704,NC(N)=NCC1=CC(I)=CC=C1 |
| DB06794,OC(=O)C(=O)NC1=CC(=CC(NC(=O)C(O)=O)=C1Cl)C#N |
| DB09488,[H]\C(CN1CCCC1)=C(\C1=CC=C(C)C=C1)C1=CC=CC(=N1)C(\[H])=C(/[H])C(O)=O |
| DB08799,C(N(CC1=CC=CC=C1)C1=CC=CC=C1)C1=NCCN1 |
| DB01084,CCOCCN1C(=NC2=CC=CC=C12)N1CCCN(C)CC1 |
| DB11235,COC1=CC=C(CN(CCN(C)C)C2=NC=CC=N2)C=C1 |
| DB00920,CN1CCC(CC1)=C1C2=C(SC=C2)C(=O)CC2=CC=CC=C12 |
| DB00162,C\C(=C/CO)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C |
| DB01438,NC1=NC(N)=C(C=C1)\N=N\C1=CC=CC=C1 |
| DB06782,OCC(S)CS |
| DB00847,NCCS |
| DB01066,[H][C@]12SCC(\C=C/C3=C(C)N=CS3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC)\C1=CSC(N)=N1)C(O)=O |
| DB00769,[H][C@@]12CC[C@](O)(C(=O)COC(=O)CN(CC)CC)[C@@]1(C)C[C@H](O)[C@@]1([H])[C@@]2([H])CCC2=CC(=O)CC[C@]12C |
| DB06202,[H][C@@]1(CCC2=CC(O)=CC=C2[C@@]1([H])C1=CC=C(OCCN2CCCC2)C=C1)C1=CC=CC=C1 |
| DB06401,CC1=C(N(CC2=CC=C(OCCN3CCCCCC3)C=C2)C2=C1C=C(O)C=C2)C1=CC=C(O)C=C1 |
| DB09096,O=C(OOC(=O)C1=CC=CC=C1)C1=CC=CC=C1 |
| DB00546,CN(C)CC1=NN=C2CN=C(C3=CC=CC=C3)C3=C(C=CC(Cl)=C3)N12 |
| DB00982,C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C\C(O)=O |
| DB06626,[H]\C(=C(\[H])C1=CC=CC=N1)C1=C2C=CC(SC3=CC=CC=C3C(O)=NC)=CC2=NN1 |
| DB01135,[Cl-].[Cl-].COC1=CC(C[C@@H]2C3=C(OC)C(OC)=C(OC)C=C3CC[N@@+]2(C)CCCOC(=O)CCC(=O)OCCC[N@@+]2(C)CCC3=C([C@@H]2CC2=CC(OC)=C(OC)C(OC)=C2)C(OC)=C(OC)C(OC)=C3)=CC(OC)=C1OC |
| DB09079,COC(=O)C1=CC2=C(C=C1)\C(=C(\NC1=CC=C(C=C1)N(C)C(=O)CN1CCN(C)CC1)C1=CC=CC=C1)C(O)=N2 |
| DB06637,NC1=CC=NC=C1 |
| DB08934,CC(C)OC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](N2C=CC(=O)NC2=O)[C@](C)(F)[C@@H]1O)OC1=CC=CC=C1 |
| DB09414,[K+].[K+].OP([O-])([O-])=O |
| DB01412,CN1C=NC2=C1C(=O)NC(=O)N2C |
| DB11106,CC(C)(N)CO.CN1C2=C(N=C(Br)N2)C(=O)N(C)C1=O |
| DB09338,COC(CNC(=O)C1=CC=CC=C1OCC(O)=O)C[Hg]O |
| DB09561,O.[Na+].[Na+].OCC(O)COP([O-])([O-])=O |
| DB00609,CCC1=NC=CC(=C1)C(N)=S |
| DB09020,CC(=O)OC1=CC=C(C=C1)C(C1=CC=C(OC(C)=O)C=C1)C1=CC=CC=N1 |
| DB01294,O[Bi]1OC(=O)C2=CC=CC=C2O1 |
| DB08826,CN1C=CC(=O)C(O)=C1C |
| DB00152,CC1=C(CCO)SC=[N+]1CC1=CN=C(C)N=C1N |
| DB11135,[Se] |
| DB09322,[Zn++].[O-]S([O-])(=O)=O |
| DB11239,[Al+3].[Al+3].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O |
| DB11342,[O--].[O--].[O--].[Al+3].[Al+3] |
| DB11136,[Cr] |
| DB09210,OC(=N)CN1CCCC1=O |
| DB00330,CC[C@@H](CO)NCCN[C@@H](CC)CO |
| DB00302,NC[C@H]1CC[C@@H](CC1)C(O)=O |
| DB02300,O[C@H](\C=C\[C@@H](C)[C@@]1([H])CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C1\C[C@@H](O)C[C@H](O)C1=C)C1CC1 |
| DB09268,OS(=O)(=O)OC1=CC=C(C=C1)C(C1=CC=C(OS(O)(=O)=O)C=C1)C1=CC=CC=N1 |
| DB00355,C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(=O)O)\C2=CSC([NH3+])=N2)C(=O)N1S([O-])(=O)=O |
| DB06827,[H][C@@]1(C[C@H](O)NC(=N)N1)[C@]1([H])NC(=O)\C(NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CNC1=O)NC(=O)C[C@@H](N)CCCN)=C\NC(N)=O |
| DB06771,N[C@@H]1CCCCN(C1)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1Cl)C(O)=O |
| DB08965,[H]C1(OC(=O)[C@]([H])(C(C)C)N(C)C(=O)C([H])(OC(=O)[C@]([H])(C(C)C)N(C)C(=O)C([H])(OC(=O)[C@]([H])(C(C)C)N(C)C1=O)C(C)C)C(C)C)C(C)C |
| DB00954,CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)[C@@H]2N[C@@H](COCCOC)O[C@H]([C@H]2C)[C@]1(C)O |
| DB01415,[H][C@]12SCC=C(N1C(=O)[C@H]2NC(=O)C(=C/CC(O)=O)\C1=CSC(N)=N1)C(O)=O |
| DB00803,[H]C(C)(CC)CCCC(O)=N[C@@]([H])(CCN)C(O)=N[C@]([H])(C(O)=N[C@@]([H])(CCN)C(O)=N[C@@]1([H])CCN=C(O)C([H])(N=C(O)[C@@]([H])(CCN)N=C(O)[C@]([H])(CCN)N=C(O)[C@@]([H])(CC(C)C)N=C(O)C([H])(CC(C)C)N=C(O)[C@]([H])(CCN)N=C1O)[C@@]([H])(C)O)[C@@]([H])(C)O |
| DB00626,CC[C@H](C)[C@H](N)C1=N[C@@H](CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]1CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC1=O)[C@@H](C)CC |
| DB09499,OS(O)(=O)=S |
| DB01150,[H][C@]12SCC(C=CC)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](N)C1=CC=C(O)C=C1)C(O)=O |
| DB00080,CCCCCCCCCC(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H]1[C@@H](C)OC(=O)[C@H](CC(=O)C2=C(N)C=CC=C2)NC(=O)[C@@H](NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCN)NC(=O)CNC1=O)[C@H](C)CC(O)=O |
| DB00595,[H][C@@]12[C@@H](O)[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C |
| DB04570,[H][C@]12OCC(CSC3=NN=NN3C)=C(N1C(=O)[C@]2(NC(=O)C(C(O)=O)C1=CC=C(O)C=C1)OC)C(O)=O |
| DB09060,[H]OS(=O)(=O)ON1C(=O)N2C([H])([H])[C@@]1([H])C([H])([H])C([H])([H])[C@@]2([H])C(=O)N([H])[H] |
| DB00471,OC(=O)CC1(CC1)CS[C@H](CCC1=CC=CC=C1C(O)(C)C)C1=CC=CC(\C=C\C2=NC3=C(C=CC(Cl)=C3)C=C2)=C1 |
| DB01126,[H][C@@]1(CC[C@@]2([H])[C@]3([H])CC[C@@]4([H])NC(=O)C=C[C@]4(C)[C@@]3([H])CC[C@]12C)C(=O)NC1=CC(=CC=C1C(F)(F)F)C(F)(F)F |
| DB06155,CC1=C(N(N=C1C(=O)NN1CCCCC1)C1=C(Cl)C=C(Cl)C=C1)C1=CC=C(Cl)C=C1 |
| DB06654,C[C@H](NCC1=CC=C(OCC2=CC(F)=CC=C2)C=C1)C(N)=O |
| DB09262,CC1=NC=CN1CCC(C(N)=O)(C1=CC=CC=C1)C1=CC=CC=C1 |
| DB00360,[H][C@@]1(CNC2=C(N1)C(=O)NC(N)=N2)[C@@H](O)[C@H](C)O |
| DB09143,[H][C@]1(C)CN(C[C@@]([H])(C)O1)C1=CC=C(NC(=O)C2=CC=CC(=C2C)C2=CC=C(OC(F)(F)F)C=C2)C=N1 |
| DB08875,COC1=CC2=C(C=C1OC)C(OC1=CC=C(NC(=O)C3(CC3)C(=O)NC3=CC=C(F)C=C3)C=C1)=CC=N2 |
| DB09061,CCCCCC1=CC(O)=C([C@@H]2C=C(C)CC[C@H]2C(C)=C)C(O)=C1 |
| DB04835,[H][C@@](CCN1[C@@]2([H])CC[C@]1([H])C[C@]([H])(C2)N1C(C)=NN=C1C(C)C)(N=C(O)C1CCC(F)(F)CC1)C1=CC=CC=C1 |
| DB05239,OC1(CN(C1)C(=O)C1=C(NC2=C(F)C=C(I)C=C2)C(F)=C(F)C=C1)[C@@H]1CCCCN1 |
| DB00799,CCOC(=O)C1=CN=C(C=C1)C#CC1=CC2=C(SCCC2(C)C)C=C1 |
| DB03756,CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O |
| DB11560,OC(=O)CSC1=NN=C(Br)N1C1=CC=C(C2CC2)C2=C1C=CC=C2 |
| DB06803,OC1=C(C=C(Cl)C=C1)C(=O)NC1=C(Cl)C=C(C=C1)[N+]([O-])=O |
| DB09257,OC1=CC(=O)NC=C1Cl |
| DB00640,NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC=N1 |
| DB06264,CC(CN1CCCCC1)C(=O)C1=CC=C(C)C=C1 |
| DB00170,CC1=CC(=O)C2=CC=CC=C2C1=O |
| DB01303,C[N+](C)(C)CCO.CN1C2=C([N-]C=N2)C(=O)N(C)C1=O |
| DB13146,N[C@]1(C[C@H]([18F])C1)C(O)=O |
| DB09161,[Tc+].COC(C)(C)C[N+]#[C-].COC(C)(C)C[N+]#[C-].COC(C)(C)C[N+]#[C-].COC(C)(C)C[N+]#[C-].COC(C)(C)C[N+]#[C-].COC(C)(C)C[N+]#[C-] |
| DB00709,NC1=NC(=O)N(C=C1)[C@@H]1CS[C@H](CO)O1 |
| DB09293,[131I-] |
| DB01411,O=C(NC1=C2OC(=CC(=O)C2=CC=C1)C1=NNN=N1)C1=CC=C(OCCCCC2=CC=CC=C2)C=C1 |
| DB00649,CC1=CN([C@@H]2O[C@H](CO)C=C2)C(=O)NC1=O |
| DB04854,CC(C)COC1=C(C=C(C=C1)C1=NC(C)=C(S1)C(O)=O)C#N |
| DB01048,NC1=NC2=C(N=CN2[C@@H]2C[C@H](CO)C=C2)C(NC2CC2)=N1 |
| DB08957,OC(CNCCCCCCNCC(O)C1=CC(O)=C(O)C=C1)C1=CC(O)=C(O)C=C1 |
| DB00122,C[N+](C)(C)CCO |
| DB03619,[H][C@@]12CC[C@H]([C@H](C)CCC(O)=O)[C@@]1(C)[C@@H](O)C[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@H](O)CC[C@]12C |
| DB05528,[H]C1(CC([H])(OP(O)(=S)OCC2([H])OC([H])(CC2([H])OP(O)(=S)OCC2([H])OC([H])(CC2([H])OP(O)(=S)OCC2([H])OC([H])(CC2([H])OP(O)(=S)OCC2([H])OC([H])(CC2([H])OP(O)(=S)OCC2([H])OC([H])(CC2([H])OP(O)(=S)OCC2([H])OC([H])(CC2([H])OP(O)(=S)OCC2([H])OC([H])(CC2([H])OP(O)(=S)OCC2([H])OC([H])(CC2([H])OP(O)(=S)OCC2([H])OC([H])(N3C=NC4=C3NC(=N)N=C4O)C([H])(OCCOC)C2([H])OP(O)(=S)OCC2([H])OC([H])(N3C=C(C)C(=N)N=C3O)C([H])(OCCOC)C2([H])OP(O)(=S)OCC2([H])OC([H])(N3C=NC4=C(N)N=CN=C34)C([H])(OCCOC)C2([H])OP(O)(=S)OCC2([H])OC([H])(N3C=C(C)C(=N)N=C3O)C([H])(OCCOC)C2([H])OP(O)(=S)OCC2([H])OC([H])(N3C=C(C)C(=N)N=C3O)C([H])(OCCOC)C2([H])O)N2C=C(C)C(=N)N=C2O)N2C=C(C)C(O)=NC2=O)N2C=C(C)C(O)=NC2=O)N2C=C(C)C(=N)N=C2O)N2C=NC3=C2NC(=N)N=C3O)N2C=C(C)C(O)=NC2=O)N2C=C(C)C(=N)N=C2O)N2C=C(C)C(O)=NC2=O)C([H])(COP(O)(=S)OC2([H])CC([H])(OC2([H])COP(O)(=S)OC2([H])C([H])(COP(O)(=S)OC3([H])C([H])(COP(O)(=S)OC4([H])C([H])(COP(O)(=S)OC5([H])C([H])(COP(O)(=S)OC6([H])C([H])(CO)OC([H])(N7C=NC8=C7NC(=N)N=C8O)C6([H])OCCOC)OC([H])(N6C=C(C)C(=N)N=C6O)C5([H])OCCOC)OC([H])(N5C=C(C)C(=N)N=C5O)C4([H])OCCOC)OC([H])(N4C=C(C)C(O)=NC4=O)C3([H])OCCOC)OC([H])(N3C=C(C)C(=N)N=C3O)C2([H])OCCOC)N2C=NC3=C(N)N=CN=C23)O1)N1C=NC2=C1NC(=N)N=C2O |
| DB00931,[H][C@@]12[C@@H](O)[C@]3([H])C(=C)C4=C(C(O)=CC=C4)C(=O)C3=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C |
| DB00453,[H][C@@]12C[C@@]3([H])C(=C(O)[C@]1(O)C(=O)C(C(=O)NCO)=C(O)[C@H]2N(C)C)C(=O)C1=C(O)C=CC(Cl)=C1[C@@]3(C)O |
| DB06213,CNC(=O)C1=CN(N=C1)C1=NC2=C(N=CN2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C(N)=N1 |
| DB09269,OC(=O)CC1=CC=CC=C1 |
| DB09067,CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](N)CO)[C@@H](C)CC)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](C)C(N)=O |
| DB00115,[C@H]1([C@@H]2[C@H]([C@@H](N3C4=CC(=C(C)C=C4[N+]([Co-3]456(N7C8=C(C9=[N+]4C(C([C@@H]9CCC(N)=O)(C)C)=CC4=[N+]5C(=C(C5=[N+]6[C@@]([C@]7([C@@H]([C@@]8(C)CCC(=O)NC[C@@]([H])(C)OP([O-])(=O)O2)CC(N)=O)[H])([C@@]([C@@H]5CCC(N)=O)(C)CC(N)=O)C)C)[C@@]([C@@H]4CCC(N)=O)(C)CC(N)=O)C)C#N)=C3)C)O1)O)CO |
| DB06689,NCCO.CCCCCCCC\C=C/CCCCCCCC(O)=O |
| DB13153,[H][C@@]1(CCC(C)=CC1)[C@@](C)(O)CCC=C(C)C |
| DB08884,[Gd+3].[H][C@@](CN(CCN(CC([O-])=O)CC([O-])=O)CC([O-])=O)(CC1=CC=C(OCC)C=C1)N(CC(O)=O)CC(O)=O |
| DB11641,CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)C1=CC(OC)=C(C=C41)[C@]1(C[C@@H]3C[C@H](C[N@@](C3)CC3=C1NC1=CC=CC=C31)C(C)(F)F)C(=O)OC)[C@](O)([C@@H]2OC(C)=O)C(=O)OC |
| DB04967,CCN(CC)CCNC1=C2C(=O)C3=CC=CC=C3SC2=C(C)C=C1 |
| DB06816,CN(C)C1=CC2=C(C=C1)[N+](C)=C(\C=C\C1=C(C)N(C(C)=C1)C1=CC=CC=C1)C=C2 |
| DB11121,CC1=CC(O)=CC(C)=C1Cl |
| DB04786,CC1=C(NC(=O)C2=CC(NC(=O)NC3=CC=CC(=C3)C(=O)NC3=C(C)C=CC(=C3)C(=O)NC3=C4C(C=C(C=C4S(O)(=O)=O)S(O)(=O)=O)=C(C=C3)S(O)(=O)=O)=CC=C2)C=C(C=C1)C(=O)NC1=C2C(C=C(C=C2S(O)(=O)=O)S(O)(=O)=O)=C(C=C1)S(O)(=O)=O |
| DB00711,CCN(CC)C(=O)N1CCN(C)CC1 |
| DB08974,COC(O)=NC1=NC2=C(N1)C=C(C=C2)C(=O)C1=CC=C(F)C=C1 |
| DB05630,O.O.O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[H][C@@]1(O[Sb]2(O)(O[Sb]34([O-])O[C@@H](C([O-])=O)[C@@]([H])(O3)[C@]([H])(O4)[C@H](O)CO)O[C@@H](C([O-])=O)[C@@]1([H])O2)[C@H](O)CO |
| DB11254,CCCCCCC1=C(O)C=C(O)C=C1 |
| DB09277,[Cl-].C[N+](C)([11CH3])CCO |
| DB09125,[K+].[K+].[K+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O |
| DB01345,[K] |
| DB09015,[H][C@@]12CC[C@@](O)(CCC(O)=O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])C=CC2=CC(=O)CC[C@]12C |
| DB06274,C[C@H]1CN(C[C@H](CC2=CC=CC=C2)C(=O)NCC(O)=O)CC[C@@]1(C)C1=CC(O)=CC=C1 |
| DB13925,[Ga+3].C[C@@H](O)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN2CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC2)C(=O)N[C@@H](CC2=CC=C(O)C=C2)C(=O)N[C@H](CC2=CNC3=C2C=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)C(O)=O |
| DB00260,N[C@@H]1CONC1=O |
| DB11691,[H][C@@]12OC3=C4C(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC(C(=O)NC(C)(C)C1=NC(=NO1)C1=CC=CC=C1)=C2O)=CC=C3O |
| DB00504,[H][C@@]12CCCC[C@@]11CCN(CC=C)[C@@H]2CC2=C1C=C(O)C=C2 |
| DB00236,BrCCC(=O)N1CCN(CC1)C(=O)CCBr |
| DB09094,COC1=CC(=CC(OC)=C1OC)C1C2C(COC2=O)C(O)C2=CC3=C(OCO3)C=C12.COC1=CC(=CC(OC)=C1OC)C1C2C(COC2=O)C(O)C2=CC3=C(OCO3)C=C12.COC1=CC(=CC(OC)=C1OC)C1C(C(CO)C(O)C2=CC3=C(OCO3)C=C12)C(O)=O.COC1=CC(=CC(OC)=C1OC)C1C(C(CO)C(O)C2=CC3=C(OCO3)C=C12)C(O)=O |
| DB01262,NC1=NC(=O)N(C=N1)[C@H]1C[C@H](O)[C@@H](CO)O1 |
| DB00432,OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(C(=O)NC1=O)C(F)(F)F |
| DB06193,NCCNC1=CC=C(NCCN)C2=C1C(=O)C1=C(C=NC=C1)C2=O |
| DB11793,NC(=O)C1=CC=CC2=CN(N=C12)C1=CC=C(C=C1)[C@@H]1CCCNC1 |
| DB00548,OC(=O)CCCCCCCC(O)=O |
| DB00894,[H][C@@]12CCC3=CC(=O)C=C[C@]3(C)[C@@]1([H])CC[C@]1(C)OC(=O)CC[C@@]21[H] |
| DB00791,ClCCN(CCCl)C1=CNC(=O)NC1=O |
| DB06243,NCCCC(N)(C(F)F)C(O)=O |
| DB11231,CC(C)=CCC\C(C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=C(/C)CCC=C(C)C |
| DB01108,[H][C@]12O[C@]11CC[C@@]3([H])[C@]4([H])CC[C@H](O)[C@@]4(C)CC[C@]3([H])[C@@]1(C)CC(C#N)=C2O |
| DB08913,Cl[223Ra]Cl |
| DB00992,COC(=O)CCC(=O)CN |
| DB09516,COC1=CC=C(O)C=C1 |
| DB01579,C[C@H]1[C@@H](OCCN1C)C1=CC=CC=C1 |
| DB09069,COC1=C(OC)C(OC)=C(CN2CCNCC2)C=C1 |
| DB00746,CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN |
| DB09276,[Na+].OC(=O)CC(S[Au])C([O-])=O |
| DB00513,NCCCCCC(O)=O |
| DB09185,CCOC1=CC=CC=C1OCC1CNCCO1 |
| DB02959,N[C@@H](CC1=CNC2=C1C=C(O)C=C2)C(O)=O |
| DB09021,CNCC12CCC(C3=CC=CC=C13)C1=CC=CC=C21 |
| DB05245,[Ag+].NC1=CC=C(C=C1)S(=O)(=O)[N-]C1=NC=CC=N1 |
| DB06150,COC1=NC(OC)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=C1 |
| DB06147,NC1=CC=C(C=C1)S(=O)(=O)NC1=NC=CS1 |
| DB00442,NC1=NC(=O)C2=C(N1)N(C=N2)[C@H]1C[C@H](O)[C@@H](CO)C1=C |
| DB00879,NC1=NC(=O)N(C=C1F)[C@@H]1CS[C@H](CO)O1 |
| DB00535,[H][C@]12SCC(C=C)=C(N1C(=O)[C@H]2NC(=O)C(=N/O)\C1=CSC(N)=N1)C(O)=O |
| DB00130,N[C@@H](CCC(N)=O)C(O)=O |
| DB00581,OC[C@H]1O[C@](O)(CO)[C@@H](O)[C@@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |
| DB09130,[Cu] |
| DB01582,CC1=CC(C)=NC(NS(=O)(=O)C2=CC=C(N)C=C2)=N1 |
| DB00891,NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=CC=N1 |
| DB00837,OC(=N)CCC\N=C(\C1=CC=C(Cl)C=C1)C1=C(O)C=CC(F)=C1 |
| DB04398,CC(O)C(O)=O |
| DB09221,[Zn++].[H][C@@](CC1=CN=CN1)([N-]C(=O)CCN)C([O-])=O |
| DB01378,[Mg++] |
| DB09087,[Al+3].[K+].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O |
| DB00256,[H][C@@]12C[C@@]3([H])C(C(=O)C4=C(O)C=CC=C4[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(=O)NCNCCCC[C@H](N)C(O)=O)=C(O)[C@H]2N(C)C |
| DB01413,CO\N=C(/C(=O)N[C@@H]1C(=O)N2[C@]1([H])SCC(C[N+]1(C)CCCC1)=C2C([O-])=O)C1=CSC(N)=N1 |
| DB00766,[H][C@@]12CC(=O)N1[C@@H](C(O)=O)\C(O2)=C\CO |
| DB08993,[H]\C(NC(O)=N)=C1\N=C(O)[C@]([H])(CO)N=C(O)[C@]([H])(CO)N=C(O)[C@]([H])(CN=C(O)[C@@]([H])(N=C1O)[C@@]1([H])CCNC(=N)N1)N=C(O)C[C@@]([H])(N)[C@]([H])(O)CCN |
| DB09137,[99Tc].[H]OC(=O)C([H])([H])N(C([H])([H])C(=O)O[H])C([H])([H])C(=O)N([H])C1=C(C(Br)=C(C([H])=C1C([H])([H])[H])C([H])([H])[H])C([H])([H])[H] |
| DB00662,COC1=CC(=CC(OC)=C1OC)C(=O)NCC1=CC=C(OCCN(C)C)C=C1 |
| DB09154,[Na+].[Na+].[Na+].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O |
| DB08996,CN(C)CCCN1C2=CC=CC=C2C(C)(C)C2=CC=CC=C12 |
| DB00198,CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](N)C1 |
| DB06804,CCCCCCCCCC1=CC=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)C=C1 |
| DB06261,[H]N([H])CC(=O)CCC(=O)OCCCCCC |
| DB09134,OCCN(C(=O)CO)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I |
| DB01249,CC(=O)N(CC(O)CN(C(C)=O)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I)C1=C(I)C(C(=O)NCC(O)CO)=C(I)C(C(=O)NCC(O)CO)=C1I |
| DB00271,CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I |
| DB09321,O=[Zn] |
| DB12924,CNC1=NC=C(C=C1C)C1=CC=C2C(=O)C(=CN(C3CC3)C2=C1C)C(O)=O |
| DB06219,[H][C@@]12CC3=CC=C(OC4=C(O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5NC(=O)CCCCCCCCC(C)C)C(O)=O)C5=CC(=C4)[C@@]([H])(NC(=O)[C@@]([H])(NC1=O)C1=C(Cl)C(O)=CC(OC4=C(O)C=CC(=C4)[C@@H](NC)C(=O)N2)=C1)C(=O)N[C@]1([H])C2=CC(=C(O)C=C2)C2=C(C=C(O)C=C2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)C(NC(=O)[C@@]([H])(NC1=O)[C@H](O)C1=CC(Cl)=C(O5)C=C1)C(=O)NCCCN(C)C)C=C3 |
| DB00410,C[C@H](O)[C@H](C)[C@@H]1O[C@H]1C[C@H]1CO[C@@H](C\C(C)=C\C(=O)OCCCCCCCCC(O)=O)[C@H](O)[C@@H]1O |
| DB00430,[H][C@]12SCC(CSC3=NN=NN3C)=C(N1C(=O)[C@@]2([H])NC(=O)[C@H](NC(=O)C1=C(O)C=C(C)N=C1)C1=CC=C(O)C=C1)C(O)=O |
| DB00828,C[C@@H]1O[C@@H]1P(O)(O)=O |
| DB09047,[H][C@]12CN(C[C@]1([H])OCCN2)C1=C(F)C=C2C(=O)C(=CN(C3CC3)C2=C1C#N)C(O)=O |
| DB00666,CC(C)C[C@H](NC(=O)[C@@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC1=CNC2=CC=CC=C12)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O |
| DB00551,CC(=O)NO |
| DB01599,CC(C)(SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C)SC1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C |
| DB09014,CCCCSC1=CC=C(C=C1)C(SCCN(C)C)C1=CC=CC=C1 |
| DB01553,ClC1=CC2=C(NC(=O)CN3CCOC23C2=CC=CC=C2Cl)C=C1 |
|
|
