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single_assay_train.csv
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,AID,CID,Activity Outcome,Protein Accession,SMILES
2194047,1671197,155819421.0,Active,AAV41877,C[C@H]1/C=C\C=C(/C(=O)NC2=CC(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(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)O)[O-])\C.[Na+]
2194049,1671197,57372628.0,Inactive,AAV41877,C[N+](C)(CCOC1=CC=CC=C1)CC2=CC=CS2.[I-]
2194053,1671197,72187528.0,Inactive,AAV41877,CC(C)C1=C(C=C2C(=C1)CC[C@@H]3[C@@]2(CCC[C@@]3(C)C(=O)[O-])C)S(=O)(=O)O.[Na+]
2194057,1671197,69155711.0,Active,AAV41877,C[C@@H](C1=NC=NC=C1F)C(CN2C=NC=N2)(C3=C(C=C(C=C3)F)F)O
2194059,1671197,9916275.0,Active,AAV41877,CCN(CC)C1=CC2=C(C=C1)C(=C3C=CC(=[N+](CC)CC)C=C3O2)C4=C(C=C(C=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]
2194061,1671197,72187526.0,Inactive,AAV41877,C1=C(C(=O)NC(=O)N1[C@@H]2[C@H]([C@@H]([C@H](O2)CO)O)O)/C=C\Br
2194063,1671197,135465076.0,Active,AAV41877,C1=CC=C(C=C1)/[N+](=N/[O-])/[O-].[NH4+]
2194065,1671197,72187527.0,Inactive,AAV41877,C1CC2C[C@H]1[C@H]3[C@@H]2CN(C3)NC(=O)C4=CC(=C(C=C4)Cl)S(=O)(=O)N
2194067,1671197,9889168.0,Active,AAV41877,CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Cl-]
2194069,1671197,9865514.0,Active,AAV41877,CC1=CC2=C3C(=C1)C(=N[C@H](C(=O)N3CC2)NC(=O)C4=CC=NC=C4)C5=CC=CC=C5
2194073,1671197,18551400.0,Inactive,AAV41877,CC(CC1=CC=C(C=C1)OCC(=O)O)NCC(C2=CSC(=N2)C(F)(F)F)O
2194075,1671197,166642342.0,Inactive,AAV41877,C/C(=C\C(=[OH+])C)/[O-].C/C(=C\C(=[OH+])C)/[O-].C/C(=C/C(=[OH+])C)/[O-].[Fe]
2194077,1671197,118984397.0,Active,AAV41877,CCCCCCC(C)(C)C(=O)[O-].CCCCCCC(C)(C)C(=O)[O-].[Ca+2]
2194079,1671197,57369982.0,Inactive,AAV41877,CCCC[N+]1(CCCCC1)C.F[P-](F)(F)(F)(F)F
2194081,1671197,60196441.0,Active,AAV41877,CC1=C(C=CC(=C1)F)C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CC[C@H]([C@H]4CO)O
2194085,1671197,9842616.0,Active,AAV41877,C1CC2CC(CC1N2C3=NC=CC=N3)NCC(=O)N4CC(C[C@H]4C#N)(F)F
2194089,1671197,44555481.0,Inactive,AAV41877,CCCC[C@H]1CN(C(=O)OC12CCN(CC2)C3(CCN(CC3)C(=O)C4=C(N=CN=C4C)C)C)CC5CCOCC5
2194091,1671197,24180709.0,Active,AAV41877,CNC(=S)[S-].O.O.O.[Na+]
2194093,1671197,136122621.0,Active,AAV41877,C[C@H]1/C=C\C=C(/C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(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)O)O)/C=N/N5CCN(CC5)C)\C
2194095,1671197,86287518.0,Inactive,AAV41877,C1CN(/C(=N/[N+](=O)[O-])/N1)CC2=CN=C(C=C2)Cl
2194097,1671197,57358854.0,Inactive,AAV41877,CCCC[N+]1=CC=CC(=C1)C.F[P-](F)(F)(F)(F)F
2194099,1671197,60196432.0,Inactive,AAV41877,O.O.Cl[In](Cl)Cl
2194101,1671197,9839306.0,Active,AAV41877,CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C)CC#C
2194105,1671197,9860484.0,Inactive,AAV41877,[Cl-].[Cl-].[Cl-].[Yb+3]
2194107,1671197,25150753.0,Inactive,AAV41877,C[NH+](C)CCC(C1=CC=CC=C1)C2=CC=CC=[NH+]2.C(=C\C(=O)[O-])\C(=O)[O-]
2194111,1671197,56638112.0,Active,AAV41877,COC1=CC(=C(C=C1)C(=O)C2=CC(=CC=C2)O)OC
2194113,1671197,56846451.0,Active,AAV41877,COC1=C(C(=C(C=C1)CCN(CCC2=C(C(=C(C=C2)OC)OC)OC)C(=O)C(C3=CC=CC=C3)C4=NCCC5=CC(=C(C=C54)OC)OC)OC)OC.Cl
2194117,1671197,76973791.0,Active,AAV41877,CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC2=CC=CC=C2)[C@@H](CN3C[C@H]4CCCC[C@H]4C[C@H]3C(=O)NC(C)(C)C)O.CS(=O)(=O)O.O
2194119,1671197,60196397.0,Active,AAV41877,CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-]
2194121,1671197,9866250.0,Active,AAV41877,C1COCCC1(C(=O)NO)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F
2194125,1671197,72187524.0,Inactive,AAV41877,CCCCCCCC/C=C/C(=O)[O-].CCCCCCCC/C=C/C(=O)[O-].[Ca+2]
2194127,1671197,44578765.0,Active,AAV41877,CCOC1=CC=CC(=C1)N2C=C(N=C2C3=CC=C(C=C3)C)C(=O)N4CCN(CC4)C5=CC6=CC=CC=C6C(=C5)C(=O)[O-].[Na+]
2194131,1671197,9827529.0,Active,AAV41877,C1=CC(=CC(=C1)C(F)(F)F)/C(=N\NC(=O)NC2=CC=C(C=C2)OC(F)(F)F)/CC3=CC=C(C=C3)C#N
2194133,1671197,135749823.0,Inactive,AAV41877,CCCC1=NC(=C2N1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CC)OCC)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
2194135,1671197,9862176.0,Inactive,AAV41877,C1=CC(=CN=C1)CC(O)(P(=O)(O)[O-])P(=O)(O)[O-].[Na+].[Na+]
2194137,1671197,9888347.0,Inactive,AAV41877,CC[C@H]1CC[C@@H]([C@@H](N1)C2=CC=CC=C2)NCC3=CC4=C(C=C3OC)[C@H]5C[C@H]5C(=O)N4C
2194139,1671197,135444498.0,Inactive,AAV41877,CC1=CC(=O)NC(=N1)C(C)C
2194141,1671197,9794197.0,Inactive,AAV41877,C[N+](C)(C)CC(CC(=O)[O-])O.Cl
2194143,1671197,25171607.0,Inactive,AAV41877,CCC[N+]1(CCCC1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
2194145,1671197,53316393.0,Active,AAV41877,C1[C@@H](C=C[C@@H]1OC2=CC=CC(=C2)OC3=CC=C(C=C3)F)N(C(=O)N)O
2194147,1671197,9895468.0,Active,AAV41877,CN(C)C(=O)[C@@H]1C[C@H](CN1[C@]2(C3=C(C=CC(=C3)Cl)N(C2=O)S(=O)(=O)C4=C(C=C(C=C4)OC)OC)C5=CC=CC=C5OC)O
2194149,1671197,9801235.0,Active,AAV41877,C1CN(CCC1C2=CC=CC(=C2)CN)C(=O)C3=CC=C(O3)C#CC4=CC=CC=C4F
2194151,1671197,136122621.0,Active,AAV41877,C[C@H]1/C=C\C=C(/C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(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)O)O)/C=N/N5CCN(CC5)C)\C
2194153,1671197,9882837.0,Active,AAV41877,C1C2C(C3=C1C=C(C=C3)Cl)(N=C(S2)C4=CC=CC=C4)O
2194157,1671197,20848883.0,Inactive,AAV41877,CN(C)CCN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CC4=CSC(=N4)N)SC2)C(=O)O.Cl
2194159,1671197,2723822.0,Active,AAV41877,C(O)S(=O)(=O)[O-].[Na+]
2194161,1671197,9899402.0,Inactive,AAV41877,COC1=CC=CC=C1N2CCNCC2.Cl
2194163,1671197,56972160.0,Inactive,AAV41877,C[C@H](C1=CC=CC=N1)C2=C(CC3=CC=CC=C32)CCN(C)C.C(=C\C(=O)O)\C(=O)O
2194165,1671197,9853654.0,Inactive,AAV41877,CC(C)(C)OC(=O)NCCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N
2194171,1671197,135492483.0,Active,AAV41877,CC/C(=N\OCC)/C1=C(CC(CC1=O)C2=C(C=C(C=C2C)C)C)O
2194173,1671197,9869142.0,Inactive,AAV41877,C1CCC(C1)(C(=O)NO)N(CCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F
2194179,1671197,9818306.0,Active,AAV41877,CC(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4O)C
2194181,1671197,9855795.0,Active,AAV41877,C[C@@H]1CCC=C2[C@]1(C[C@@H](CC2)C(=C)C)C
2194183,1671197,54677971.0,Inactive,AAV41877,CN1C(=C(C2=C(S1(=O)=O)C=CS2)O)C(=O)NC3=CC=CC=N3
2194185,1671197,135585373.0,Active,AAV41877,CC/C(=N\OC/C=C/Cl)/C1=C(CC(CC1=O)C2CCOCC2)O
2194187,1671197,119057604.0,Active,AAV41877,CCC(=O)N([C@H]1CCN(C[C@H]1C)CCC2=CC=CC=C2)C3=CC=CC=C3.Cl
2194189,1671197,2723772.0,Active,AAV41877,CN1C(=S)N=NN1
2194191,1671197,2723650.0,Inactive,AAV41877,C1CNC(=S)N1
2194193,1671197,86287521.0,Active,AAV41877,C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])O/N=C/C2=CC(=C(C(=C2)Br)O)Br
2194195,1671197,166642340.0,Active,AAV41877,CCC(C(C[C@H](C)NC)(C1=CC=CC=C1)C2=CC=CC=C2)OC(=O)C.Cl
2194197,1671197,53316406.0,Active,AAV41877,CCN1C=C[N+](=C1)C.CCOP(=O)([O-])OCC
2194199,1671197,16683978.0,Inactive,AAV41877,CC(=O)O[Al].O.O
2194201,1671197,9885981.0,Active,AAV41877,C1=CC=C2C(=C1)C(=O)OC23C4=C(C=C(C=C4)[O-])OC5=C3C=CC(=C5)[O-].[Na+].[Na+]
2194203,1671197,53316380.0,Active,AAV41877,CCOC(=O)[C@]1([C@H](C2=CC=CC=C2O1)N)C3=CC=CC=C3
2194205,1671197,53249535.0,Active,AAV41877,C/C=C/C(=O)OC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCCCCC(C)C
2194207,1671197,166642341.0,Inactive,AAV41877,C/C(=C\C(=[OH+])C)/[O-].C/C(=C\C(=[OH+])C)/[O-].C/C(=C/C(=[OH+])C)/[O-].[Al]
2194211,1671197,54676478.0,Inactive,AAV41877,CN1C2=CC=CC=C2C(=C(C1=O)C(=O)N(C)C3=CC=CC=C3)O
2194215,1671197,2724189.0,Active,AAV41877,C(=S)(NN)NN
2194217,1671197,2724368.0,Inactive,AAV41877,C1=CC(=C(C=C1N)O)C(=O)[O-].[Na+]
2194219,1671197,2723649.0,Inactive,AAV41877,C1=CC2=C(C=CC(=C2N=C1)O)S(=O)(=O)O.O
2194221,1671197,9795389.0,Inactive,AAV41877,[Cl-].[Cl-].[Cl-].[Dy+3]
2194223,1671197,20054967.0,Active,AAV41877,CCCCC/C=C\C/C=C\CCCCCCCC(=O)NC(C)C1=CC=CC=C1
2194225,1671197,24194381.0,Inactive,AAV41877,CCC(=O)N(C1CCN(CC1)C(C)CC2=CC=CC=C2)C3=CC=CC=C3.Cl
2194227,1671197,135418283.0,Inactive,AAV41877,CN/C(=N\[N+](=O)[O-])/NCC1CCOC1
2194229,1671197,16051969.0,Inactive,AAV41877,CC(=O)O.C1C[C@H](N(C1)C(=O)[C@@H]2CSSCCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N
2194231,1671197,18374068.0,Inactive,AAV41877,[B-](F)(F)(F)F.CC[N+]1(CCCC1)C
2194233,1671197,9920342.0,Inactive,AAV41877,CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)O)O)O
2194235,1671197,135410906.0,Inactive,AAV41877,C=CCN1C2=C(N=C(NC2=O)N)N(C1=O)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O
2194237,1671197,16684434.0,Active,AAV41877,CC[Hg]SC1=CC=CC=C1C(=O)[O-].[Na+]
2194241,1671197,9908126.0,Active,AAV41877,CN[C@H]1CC[C@H](C2=C1C=C(C=C2)S(=O)(=O)N)C3=CC(=C(C=C3)Cl)Cl
2194243,1671197,54675779.0,Inactive,AAV41877,C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O
2194245,1671197,16682834.0,Active,AAV41877,CCCC[Sn](CCCC)(CCCC)OC(=O)C1=CC=CC=C1
2194247,1671197,2723640.0,Inactive,AAV41877,CCOC(=O)CN.Cl
2194249,1671197,16682730.0,Active,AAV41877,CC(=O)O[Hg]C1=CC=CC=C1
2194251,1671197,2723622.0,Active,AAV41877,CCCCNC(=S)NCCCC
2194257,1671197,135409535.0,Active,AAV41877,CC1=C(C2=C(C=C1)N=C(NC2=O)N)SC3=CC=NC=C3.Cl.Cl
2194259,1671197,54704426.0,Inactive,AAV41877,C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl
2194261,1671197,9839424.0,Inactive,AAV41877,C1=CC(=CC=C1NC(=O)CC[C@@H](C(=O)O)N)[N+](=O)[O-].Cl
2194263,1671197,21935081.0,Active,AAV41877,CCOC(=O)COC1=CC2=C(CCC(C2)NCC(C3=CC(=CC=C3)Cl)O)C=C1.Cl
2194265,1671197,135565106.0,Active,AAV41877,C1=CC=C(C(=C1)C(F)(F)F)N=NC2=C(C=CC3=CC(=CC(=C32)O)S(=O)(=O)[O-])N.[Na+]
2194267,1671197,16726630.0,Inactive,AAV41877,CCC[N+]1(CCCCC1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
2194269,1671197,9910986.0,Inactive,AAV41877,CN1CC[C@@H]([C@@H](C1)O)C2=C(C=C(C3=C2OC(=CC3=O)C4=CC=CC=C4Cl)O)O.Cl
2194271,1671197,135423095.0,Inactive,AAV41877,CC1=CC(=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)O)[O-])S(=O)(=O)[O-].[Ca+2]
2194273,1671197,9797360.0,Inactive,AAV41877,C1CN2CCC1N(CC2)C(=O)OC3=CC=C(C=C3)Br
2194275,1671197,135502804.0,Inactive,AAV41877,CC(C)(C)C1=NN=C(NC1=O)SC
2194277,1671197,54675776.0,Inactive,AAV41877,C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O
2194279,1671197,2723942.0,Inactive,AAV41877,C1=CC=C(C=C1)COC(=O)N[C@@H](CC(=O)O)C(=O)O
2194281,1671197,16051987.0,Inactive,AAV41877,C1=C(NN=C1)CCN.Cl
2194283,1671197,136276712.0,Active,AAV41877,C[C@H]1/C=C\C=C(/C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=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)C5=NC6(CCN(CC6)CC(C)C)N=C25)O)\C
2194285,1671197,20056828.0,Inactive,AAV41877,C1[C@@H]([C@H]([C@@H](C([C@@H]1N)O)O[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)N)N.OS(=O)(=O)O
2194287,1671197,135398748.0,Inactive,AAV41877,C1=NC2=C(N1CCC(CO)CO)N=C(NC2=O)N
2194289,1671197,2723854.0,Active,AAV41877,C1=CC2=C(C=C1S(=O)(=O)[O-])C(=C(N2)C3=NC4=C(C3=O)C=C(C=C4)S(=O)(=O)[O-])O.[Na+].[Na+]
2194291,1671197,54688686.0,Inactive,AAV41877,CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C(=CC=C4)O)C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O
2194295,1671197,6040503.0,Active,AAV41877,CC(=O)/C=C/C1=CC2=C(C=C1)OCO2
2194297,1671197,16722125.0,Active,AAV41877,CC1([C@@H]([C@@H]1C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)/C=C/4\CCSC4=O)C
2194299,1671197,54685925.0,Inactive,AAV41877,CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C=CC(=C4C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O)N(C)C.Cl
2194301,1671197,86287517.0,Active,AAV41877,C(=N)(N)N[N+](=O)[O-]
2194303,1671197,45073437.0,Active,AAV41877,C1=CC(=C(C=C1Cl)Cl)/C(=C/N2C=NC=N2)/Cl.Cl
2194305,1671197,16683072.0,Active,AAV41877,CCCC[Sn](CCCC)(CCCC)OC(=O)C=C
2194309,1671197,44373822.0,Inactive,AAV41877,CCCCCCCCCCCCCCC(CO)NC(=O)CCCCCCCCCCCCCC
2194311,1671197,135491830.0,Active,AAV41877,CCC/C(=N\OCC)/C1=C(CC(CC1=O)CC(C)SCC)O
2194313,1671197,57358267.0,Inactive,AAV41877,CC(C)N.C1=CC(=C(C=C1Cl)Cl)OCC(=O)O
2194315,1671197,54708862.0,Inactive,AAV41877,C1=CC=C(C(=C1)C(=O)O)[O-].C1=CC=C(C(=C1)C(=O)O)[O-].O.O.O.O.[Mg+2]
2194317,1671197,16051941.0,Inactive,AAV41877,CCC1=C[C@H]2C[C@@](C3=C(CN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC.C(C(C(=O)O)O)(C(=O)O)O.C(C(C(=O)O)O)(C(=O)O)O
2194319,1671197,22419268.0,Active,AAV41877,CCC1=C(C(=C(C=C1C)N)CC)N
2194321,1671197,9862076.0,Active,AAV41877,CC1=CC=C(C=C1)C2=C(N=C(N2S(=O)(=O)N(C)C)C#N)Cl
2194325,1671197,86287518.0,Inactive,AAV41877,C1CN(/C(=N/[N+](=O)[O-])/N1)CC2=CN=C(C=C2)Cl
2194329,1671197,54679224.0,Inactive,AAV41877,C1=C(C(=CNC1=O)Cl)O
2194333,1671197,86287525.0,Active,AAV41877,CC1=C2C(=NN1)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=N2)C4=CC=CC=C4Cl
2194335,1671197,24809526.0,Active,AAV41877,C1CC(CCC1NC2=NC=NC3=C2C=NN3)OC[C@@H](C4=CC=CC=C4F)F
2194337,1671197,19876500.0,Inactive,AAV41877,CCCC[N+]1=CC=CC(=C1)C.[Cl-]
2194339,1671197,16719897.0,Inactive,AAV41877,CCC[N+]1(CCCC1)C.[Br-]
2194341,1671197,135430996.0,Active,AAV41877,CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C3=NC4=C(N(N=C4C(=O)N3)CC5=CC=CC=N5)CC
2194343,1671197,54685047.0,Inactive,AAV41877,CN(C)[C@H]1[C@@H]2[C@H]([C@@H]3C(=C)C4=C(C(=CC=C4)O)C(=C3C(=O)[C@@]2(C(=C(C1=O)C(=O)N)O)O)O)O.Cl
2194345,1671197,16700308.0,Inactive,AAV41877,C(=O)O[Al](OC=O)OC=O
2194347,1671197,54670067.0,Inactive,AAV41877,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O
2194349,1671197,16051942.0,Inactive,AAV41877,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@H]3[C@H](C[C@@]2([C@@]1(C)C(=O)OC)C)O)C
2194351,1671197,60196388.0,Inactive,AAV41877,[B-](F)(F)(F)F.CCC[N+]1(CCCCC1)C
2194353,1671197,135659063.0,Inactive,AAV41877,CN\1CC(=O)N/C1=N/C(=O)NC2=CC(=CC=C2)Cl
2194355,1671197,138394832.0,Active,AAV41877,CN(C)C(=O)C1(CCN(CC1)CC[C@]2(CN(CCO2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)N5CCCCC5.Cl
2194357,1671197,16051918.0,Inactive,AAV41877,CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C6[C@@H](CC7=CC(=C(C=C7)O)O3)[N+](CCC6=CC(=C5O)OC)(C)C)OC.Cl.[Cl-]
2194359,1671197,444030.0,Inactive,AAV41877,C1CN(C[C@@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5.Br
2194361,1671197,54676228.0,Inactive,AAV41877,CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N3
2194363,1671197,45006154.0,Active,AAV41877,CC1=C(C=CC2=C1C(=NC(=N2)N)N)CNC3=CC(=C(C(=C3)OC)OC)OC.Cl.Cl.Cl
2194365,1671197,53257735.0,Active,AAV41877,CC1=NC2=CC=CC=C2N1C3CC4CCC(C3)N4CCC5(CCN(CC5)C(=O)C6=CC(=C(C=C6Cl)F)S(=O)(=O)NC)C7=CC(=CC=C7)F
2194367,1671197,46780884.0,Inactive,AAV41877,CN1CCN(CC1)CCCOC2=C(C=C3C(=C2)N=CC(=C3NC4=CC(=C(C=C4Cl)Cl)OC)C#N)OC.CO
2194369,1671197,54675810.0,Inactive,AAV41877,C([C@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O
2194371,1671197,18173271.0,Inactive,AAV41877,CC1=NC(=NO1)C2=CC3=C(CCN(CC3)CCC4CCC(CC4)NC(=O)/C=C/C5=CC=C(C=C5)F)C=C2.Cl
2194373,1671197,12598086.0,Inactive,AAV41877,CC(=O)NC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)C)I.O.O
2194379,1671197,2723694.0,Inactive,AAV41877,CC(C)(C)C1=CC=C(C=C1)C(=O)CCCCl
2194381,1671197,60196377.0,Inactive,AAV41877,CCCN1CN(C=C1)C.Br
2194387,1671197,135511839.0,Inactive,AAV41877,COC(=O)N/N=C/C1=[N+](C2=CC=CC=C2[N+](=C1)[O-])[O-]
2194389,1671197,443866.0,Inactive,AAV41877,CC1=CC=CN2C1=NC=C(C2=O)C3=NN=N[N-]3.[K+]
2194391,1671197,136122621.0,Active,AAV41877,C[C@H]1/C=C\C=C(/C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(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)O)O)/C=N/N5CCN(CC5)C)\C
2194393,1671197,60196407.0,Active,AAV41877,CCOC(=O)O[C@H](C)OC(=O)C1=CC2=C(C=C1)N(C(=C2)C(=O)NC3CCN(CC3)C(C)C)CC4=NOC(=C4)C5=CC=C(S5)Cl.Cl
2194395,1671197,16088242.0,Inactive,AAV41877,C[C@@H]1C[C@@H]2[C@H](O[C@]3([C@H]1[C@]4(CC[C@@]56C[C@@]57CC[C@@H](C([C@@H]7CC[C@H]6[C@@]4([C@H]3O)C)(C)C)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)C)O2)C(C)(C)O
2194397,1671197,25015677.0,Active,AAV41877,CN1CCC(CC1)NC(=O)C2=CC(=C(C=C2)NC3=NC=C4C(=N3)N(CC(C(=O)N4C)(F)F)C5CCCC5)OC
2194399,1671197,20725980.0,Inactive,AAV41877,CCCCCCC(CCCCCCCCCCC(=O)OCC(COC(=O)C)OC(=O)C)OC(=O)C
2194401,1671197,54685524.0,Inactive,AAV41877,CCOC(=O)C(C1=C(C2=CC=CC=C2OC1=O)O)C3=C(C4=CC=CC=C4OC3=O)O
2194403,1671197,12626562.0,Inactive,AAV41877,CC(CC1=CC(=C(C=C1OC)Br)OC)N.Cl
2194405,1671197,54677470.0,Inactive,AAV41877,CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O
2194407,1671197,16682828.0,Active,AAV41877,CCCC[Sn](CCCC)(CCCC)OC(=O)C(=C)C
2194409,1671197,135436526.0,Inactive,AAV41877,CN(C(=N)N[N+](=O)[O-])N=O
2194411,1671197,2723650.0,Active,AAV41877,C1CNC(=S)N1
2194415,1671197,135565635.0,Active,AAV41877,CC(C)N1C2=NC=NC(=C2C(=N1)C3=CC4=C(N3)C=CC(=C4)O)N
2194417,1671197,24798733.0,Inactive,AAV41877,C1=CC=C(C(=C1)C(=O)O)N2C=C(C(=O)C3=CC(=C(C=C32)Cl)NC4=C(C=C(C=C4Cl)F)F)C(=O)O
2194419,1671197,54680782.0,Inactive,AAV41877,C[C@@]1([C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O)O.Cl
2194421,1671197,460612.0,Active,AAV41877,C1=CC(=CC=C1C[C@@H](C(=O)O)N)N(CCCl)CCCl
2194425,1671197,60196418.0,Active,AAV41877,CCCCOC(CC)OC(C)COC(CC)O
2194427,1671197,16129778.0,Inactive,AAV41877,C1=C(C=C(C(=C1O)O)O)C(=O)OC2=CC(=CC(=C2O)O)C(=O)OC[C@@H]3[C@H]([C@@H]([C@H]([C@@H](O3)OC(=O)C4=CC(=C(C(=C4)OC(=O)C5=CC(=C(C(=C5)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6)OC(=O)C7=CC(=C(C(=C7)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8)OC(=O)C9=CC(=C(C(=C9)O)O)O)O)O)OC(=O)C1=CC(=C(C(=C1)OC(=O)C1=CC(=C(C(=C1)O)O)O)O)O
2194429,1671197,22833307.0,Inactive,AAV41877,C/C=C/C/C=C/C/C=C/CC=C
2194431,1671197,24180686.0,Inactive,AAV41877,CCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)O.C(CO)N(CCO)CCO
2194433,1671197,54678486.0,Active,AAV41877,CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)O
2194435,1671197,57433782.0,Inactive,AAV41877,O.O.O.O.O.O.Cl[Eu](Cl)Cl
2194437,1671197,135442941.0,Active,AAV41877,C1=CC=C2C(=C1)C=CC(=C2N=NC3=CC=C(C=C3)S(=O)(=O)[O-])O.[Na+]
2194439,1671197,9888276.0,Active,AAV41877,CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.C(=O)(C(=O)[O-])O
2194441,1671197,98615047.0,Active,AAV41877,CC1(CCC(=O)[C@H]2[C@@]13CC[C@H](C3)C2(C)C)C
2194445,1671197,60196431.0,Active,AAV41877,CCCCCC(CC)OC(=O)CCCOC1=C(C=C(C=C1)Cl)Cl
2194449,1671197,57483158.0,Active,AAV41877,CC(C)OC(=O)C(CC(=O)O)(CC(=O)O)O
2194451,1671197,54676038.0,Inactive,AAV41877,C1=CC=C2C(=C1)C(=C(C(=O)O2)CC3=C(C4=CC=CC=C4OC3=O)O)O
2194453,1671197,441207.0,Inactive,AAV41877,C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)O)O
2194455,1671197,54677972.0,Inactive,AAV41877,CC1=CC(=NO1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O
2194457,1671197,60196361.0,Inactive,AAV41877,CN(C)CC[C@@H](C1=CC=C(C=C1)Cl)C2=CC=CC=N2.Cl
2194459,1671197,2724552.0,Inactive,AAV41877,C1[C@H]([C@@H]([C@@H]([C@@](O1)(CO)O)O)O)O
2194461,1671197,22833502.0,Active,AAV41877,C1C=CC=[C-]1.[CH-]1C=CC=C1.Cl[Zr+2]Cl
2194463,1671197,2724385.0,Inactive,AAV41877,C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5C[C@H]([C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)C)C)C)O)O
2194465,1671197,54676537.0,Active,AAV41877,CC(=O)CC(C1=CC=C(C=C1)[N+](=O)[O-])C2=C(C3=CC=CC=C3OC2=O)O
2194467,1671197,60196393.0,Inactive,AAV41877,CC[N+]1(CCCC1)C.C(F)(F)(F)S(=O)(=O)[O-]
2194469,1671197,12472902.0,Active,AAV41877,C1=CC(=C(C=C1C(=O)C2=C(C=C(C=C2)O)O)O)O
2194471,1671197,54676228.0,Inactive,AAV41877,CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=CC=CC=N3
2194473,1671197,135398739.0,Inactive,AAV41877,C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=CNC3=O
2194475,1671197,18506491.0,Active,AAV41877,[B-](F)(F)(F)F.CCCCCCCCCCCCCCCCN1C=C[N+](=C1)C
2194477,1671197,60196334.0,Inactive,AAV41877,CCN(CC)CCC1=CNC2=CC=CC=C21.CCN(CC)CCC1=CNC2=CC=CC=C21.C(=C/C(=O)O)\C(=O)O
2194479,1671197,135491728.0,Active,AAV41877,CC/C(=N\OC/C=C/Cl)/C1=C(CC(CC1=O)CC(C)SCC)O
2194481,1671197,57823090.0,Inactive,AAV41877,CCO[C@H](CC1=CC=C(C=C1)OCCC2=CC=C(C=C2)OS(=O)(=O)C)C(=O)O
2194483,1671197,44341259.0,Inactive,AAV41877,C1CC12CN(C[C@@H]2N)C3=C(C=C4C(=C3Cl)N(C=C(C4=O)C(=O)O)C5C[C@H]5F)F
2194487,1671197,71311389.0,Inactive,AAV41877,O.O.O.O.O.O.Cl[Sc](Cl)Cl
2194489,1671197,60196336.0,Inactive,AAV41877,CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSC[C@H](C(=O)[O-])N)OC)SC2)C(=O)O.[Na+]
2194491,1671197,2724411.0,Active,AAV41877,CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O
2194495,1671197,135464373.0,Inactive,AAV41877,CCCCN(C(=N)N[N+](=O)[O-])N=O
2194497,1671197,135445761.0,Inactive,AAV41877,C[N+]1=CC=CC=C1/C=N/O.[Cl-]
2194499,1671197,60196260.0,Inactive,AAV41877,CC1(CCCC(N1C)(C)C)C.[C@H]([C@@H](C(=O)O)O)(C(=O)O)O
2194501,1671197,60196266.0,Inactive,AAV41877,CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@](CO2)(C)O)NC)O)O)OC3C(CC=C(O3)CN)N)N.CCN[C@@H]1C[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]2[C@@H]([C@H]([C@@](CO2)(C)O)NC)O)O)OC3C(CC=C(O3)CN)N)N.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O
2194505,1671197,135398658.0,Active,AAV41877,C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N
2194507,1671197,18542136.0,Inactive,AAV41877,C1=CC(=C(C=C1O)O)C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O.O.O
2194511,1671197,135565674.0,Active,AAV41877,CCCCCCOC(=O)NC(=N)C1=CC=C(C=C1)NCC2=NC3=C(N2C)C=CC(=C3)C(=O)N(CCC(=O)OCC)C4=CC=CC=N4
2194515,1671197,54677470.0,Inactive,AAV41877,CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O
2194517,1671197,439501.0,Inactive,AAV41877,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O
2194519,1671197,54670067.0,Inactive,AAV41877,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O
2194521,1671197,60196321.0,Active,AAV41877,CCC(=O)N(C1CCN(CC1)CC(C2=CC=CC=C2)O)C3=CC=CC=C3.Cl
2194523,1671197,2724144.0,Inactive,AAV41877,[C-]#N.[Cu+]
2194525,1671197,446541.0,Inactive,AAV41877,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)O)O
2194527,1671197,2724429.0,Inactive,AAV41877,CCCC(C(CO)O)O
2194529,1671197,12521030.0,Inactive,AAV41877,CC(O)(P(=O)(O)O)P(=O)(O)O.O
2194533,1671197,60196328.0,Active,AAV41877,CC(CC1=CC2=C(C=C1)OCO2)NO.Cl
2194535,1671197,54677470.0,Inactive,AAV41877,CC1=CN=C(S1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O
2194537,1671197,60196401.0,Inactive,AAV41877,CCCCC1=NC2=C(C=C1)[C@@H]([C@H]([C@@H]2C3=C(C=C(C=C3)OC)C[C@H](C)C(=O)[O-])C(=O)[O-])C4=CC5=C(C=C4)OCO5.[Na+].[Na+]
2194541,1671197,60196372.0,Inactive,AAV41877,CC1C=C[C-]=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn]
2194545,1671197,44630019.0,Inactive,AAV41877,CCCC[N+](C)(CCCC)CCCC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
2194547,1671197,135424354.0,Active,AAV41877,CCCCC1=C(N=C(NC1=O)NCC)C
2194549,1671197,23703979.0,Inactive,AAV41877,CC1=CC(=C(C=C1N=NC2=CC=C(C=C2)S(=O)(=O)[O-])OC)N=NC3=CC=C(C=C3)OC.[Na+]
2194553,1671197,135398739.0,Inactive,AAV41877,C1C[C@@H](O[C@@H]1CO)N2C=NC3=C2N=CNC3=O
2194559,1671197,9824131.0,Inactive,AAV41877,CC(C)[C@@H](C(=O)N[C@H]1CC2=CC=CC=C2[C@H]3CCC[C@H](N3C1=O)C(=O)O)SC(=O)C
2194561,1671197,50878597.0,Inactive,AAV41877,C1C2CNCC1C3=CC4=NC=CN=C4C=C23.Cl
2194563,1671197,53316409.0,Inactive,AAV41877,CCCC[N+]1(CCCC1)C.F[P-](F)(F)(F)(F)F
2194567,1671197,9868041.0,Inactive,AAV41877,CS(=O)(=O)O.C1=CC(=CC=C1C(=O)OC2=CC3=C(C=C2)C=C(C=C3)C(=N)N)N=C(N)N
2194569,1671197,60196382.0,Inactive,AAV41877,[B-](F)(F)(F)F.CCCC[N+]1(CCCCC1)C
2194573,1671197,22833331.0,Active,AAV41877,CCC(O)OCCCOC
2194575,1671197,54692981.0,Active,AAV41877,CCC(C)[O-].CCC(C)[O-].CCOC(=O)/C=C(/C)\[O-].[Al+3]
2194577,1671197,137319701.0,Active,AAV41877,CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)/C=C\2/C(=O)NC(=N)S2.CS(=O)(=O)O
2194579,1671197,60196395.0,Inactive,AAV41877,CCC[N+]1(CCCC1)C.F[P-](F)(F)(F)(F)F
2194583,1671197,9885850.0,Active,AAV41877,C1=C2C(C(=O)N(C2=CC(=C1F)Cl)C(=O)N)C(=O)C3=CC(=CS3)Cl
2194587,1671197,16683023.0,Active,AAV41877,CC(C(=O)O[Hg]C1=CC=CC=C1)O
2194589,1671197,443375.0,Inactive,AAV41877,CN1C2=CC=CC=C2C(=N[C@@H](C1=O)NC(=O)C3=CC4=CC=CC=C4N3)C5=CC=CC=C5
2194591,1671197,135512460.0,Inactive,AAV41877,COC(=O)[C@H](CCCN/C(=N/[N+](=O)[O-])/N)N
2194593,1671197,59086459.0,Active,AAV41877,CS(=O)(=O)C1=C(C=C(C=C1)[C@@H](CC2CCCC2)C(=O)NC3=NC=CN=C3)Cl
2194595,1671197,135408763.0,Inactive,AAV41877,C1=C(N=C(NC1=O)N)N
2194597,1671197,135409852.0,Inactive,AAV41877,C(=N/O)\C=N\O
2194599,1671197,54686904.0,Active,AAV41877,CC(C)(C)NCC(=O)NC1=CC(=C2C[C@H]3C[C@H]4[C@@H](C(=O)C(=C([C@]4(C(=O)C3=C(C2=C1O)O)O)O)C(=O)N)N(C)C)N(C)C
2194601,1671197,60196325.0,Inactive,AAV41877,CC1=CC(=C(C=C1OC)C[C@@H](C)N)OC.Cl
2194603,1671197,135449332.0,Inactive,AAV41877,CC1=C(C=C(C=C1)N2C(=O)C(=C(N2)C)N=NC3=CC=CC(=C3O)C4=CC(=CC=C4)C(=O)O)C
2194605,1671197,22833317.0,Inactive,AAV41877,CCC(O)OCC(C)OC(CC)O
2194607,1671197,54671008.0,Inactive,AAV41877,CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCC3=CC=C(C=C3)F
2194609,1671197,60196387.0,Inactive,AAV41877,CCC[N+]1(CCCCC1)C.[I-]
2194611,1671197,60196392.0,Inactive,AAV41877,CCCC[N+]1=CC=C(C=C1)C.C(F)(F)(F)S(=O)(=O)[O-]
2194615,1671197,60196409.0,Inactive,AAV41877,C1CC1N2CCC(CC2)NC(=O)C3=NC4=C(N3CC5=NOC(=C5)C6=CC=C(S6)Cl)C=CC(=C4)C(=O)[O-].[Na+]
2194617,1671197,135398513.0,Inactive,AAV41877,C1=NC2=C(N1COCCO)N=C(NC2=O)N
2194619,1671197,54670067.0,Inactive,AAV41877,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O)O
2194623,1671197,9828356.0,Inactive,AAV41877,CC1=NOC(=C1)COC2=C(C=C(C=C2)Cl)CNC3=C4C(=NC=N3)N(C=N4)[C@H]5[C@@H]([C@@H]([C@H](O5)C(=O)NC)N)O
2194625,1671197,60196424.0,Active,AAV41877,CCOC(=O)/C=C(/O)\C.CCOC(=O)/C=C(/O)\C.CC(O)C.CC(O)C.[Ti]
2194627,1671197,135398738.0,Inactive,AAV41877,CN(C)/N=N/C1=C(NC=N1)C(=O)N
2194629,1671197,135398752.0,Inactive,AAV41877,C1=NNC2=C1C(=O)NC(=O)N2
2194631,1671197,9811353.0,Inactive,AAV41877,C1=CC(=CC(=C1)C2=C(C=CC(=C2)CCCCCCC3=CC(=C(C=C3)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C5=CC=CC(=C5)CC(=O)O)O[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)CC(=O)O
2194633,1671197,60196365.0,Inactive,AAV41877,C1CN(CCN1CCOCC(=O)N)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl.Cl.Cl
2194635,1671197,135465076.0,Active,AAV41877,C1=CC=C(C=C1)/[N+](=N/[O-])/[O-].[NH4+]
2194637,1671197,22833466.0,Inactive,AAV41877,CCC(CC)C(C)CCOC(=O)C
2194639,1671197,54704426.0,Inactive,AAV41877,C[C@@]1([C@H]2C[C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl
2194641,1671197,137319715.0,Inactive,AAV41877,CN1CC(=O)NC1=N
2194645,1671197,23669238.0,Active,AAV41877,C(C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)(F)F.[K+]
2194647,1671197,9861780.0,Inactive,AAV41877,COC(=O)C1=C(C=CC(=C1)Cl)NS(=O)(=O)C(F)(F)F
2194651,1671197,60196438.0,Inactive,AAV41877,CC1=CC(=C(C=C1)C(=O)[N-]S(=O)(=O)/C=C/C2=CC=C(C=C2)OC)Cl.[Na+]
2194653,1671197,441307.0,Inactive,AAV41877,CCCC(=O)NC1=CC(=C(C=C1)OCC(CNC(C)C)O)C(=O)C.Cl
2194655,1671197,16684880.0,Inactive,AAV41877,CCCCO[Al](OCCCC)OCCCC
2194657,1671197,53316407.0,Active,AAV41877,CCCCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
2194659,1671197,22678982.0,Active,AAV41877,CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.C(F)(F)(F)S(=O)(=O)[O-]
2194661,1671197,135401907.0,Inactive,AAV41877,C1=NNC2=C1C(=O)NC=N2
2194663,1671197,54682536.0,Inactive,AAV41877,C([C@@H]([C@@H]1C(=C(C(=O)O1)[O-])O)O)O.C([C@@H]([C@@H]1C(=C(C(=O)O1)[O-])O)O)O.O.O.[Ca+2]
2194665,1671197,60196268.0,Inactive,AAV41877,CC1=C(SC=C1)/C=C/C2=NCCCN2C.[C@@H]([C@@H](C(=O)O)O)(C(=O)O)O
2194667,1671197,50878565.0,Inactive,AAV41877,CCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F
2194669,1671197,456201.0,Active,AAV41877,CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OC[C@H]3CO[C@](O3)(CN4C=CN=C4)C5=C(C=C(C=C5)Cl)Cl
2194671,1671197,139057448.0,Active,AAV41877,C(CN)N.[Cl-].[Cl-].[Pt+2]
2194673,1671197,60196335.0,Inactive,AAV41877,CN(C)CCC1=CNC2=CC=CC=C21.C(=C/C(=O)O)\C(=O)O
2194675,1671197,60196380.0,Inactive,AAV41877,CCCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F
2194677,1671197,23665759.0,Inactive,AAV41877,C(C(=O)[O-])Cl.[Na+]
2194681,1671197,23082568.0,Inactive,AAV41877,CC[N+]1(CCCC1)C.F[P-](F)(F)(F)(F)F
2194683,1671197,91864482.0,Active,AAV41877,CCC(=O)N([C@H]1CCN(C[C@H]1C)CCC2=CC=CS2)C3=CC=CC=C3.Cl
2194685,1671197,440707.0,Active,AAV41877,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C
2194687,1671197,9849425.0,Inactive,AAV41877,C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.OS(=O)(=O)O
2194689,1671197,135413497.0,Inactive,AAV41877,C1=CC=C(C=C1)C2=C(C(=O)NC(=N2)N)Br
2194691,1671197,444041.0,Inactive,AAV41877,C([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](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)CO)O)O)O
2194693,1671197,135414420.0,Active,AAV41877,CC1=C(C=CC(=C1)S(=O)(=O)[O-])N=NC2=C(C=CC3=CC=CC=C32)O.[Na+]
2194697,1671197,23160050.0,Inactive,AAV41877,CC[N+]1=CC=CC=C1.F[P-](F)(F)(F)(F)F
2194699,1671197,24802109.0,Inactive,AAV41877,CC(C)N(CCC1=CNC2=C1C=C(C=C2)OC)C(C)C.Cl
2194701,1671197,448537.0,Inactive,AAV41877,CC/C(=C(/CC)\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)O
2194703,1671197,54682651.0,Inactive,AAV41877,CC(=O)CC(C1=CC=C(C=C1)Cl)C2=C(C3=CC=CC=C3OC2=O)O
2194707,1671197,53316382.0,Active,AAV41877,C1=CC(=CC(=C1)F)CN2C3=C(C=C(C=C3)F)C=C2C(=O)NC4=CC5=C(C=C4)NC=C5
2194709,1671197,23664984.0,Inactive,AAV41877,CCC1=C(C(=CC=C1)CC)N(COC)C(=O)CS(=O)(=O)[O-].[Na+]
2194711,1671197,9802545.0,Inactive,AAV41877,CC1=C(C(=O)N2CCC[C@H](C2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
2194715,1671197,60196383.0,Inactive,AAV41877,CCCC[N+]1(CCCCC1)C.C(F)(F)(F)S(=O)(=O)[O-]
2194717,1671197,426756.0,Active,AAV41877,C1CC(C1)(C(=O)O)C(=O)O.[NH2-].[NH2-].[Pt+2]
2194719,1671197,16682993.0,Inactive,AAV41877,CC(=O)O[Al]OC(=O)C.O
2194721,1671197,45268380.0,Inactive,AAV41877,CCCC[N+]1=CC=CC(=C1)C.[I-]
2194723,1671197,442343.0,Active,AAV41877,CC1=CC[C@H](CC1)[C@](C)(CCC=C(C)C)O
2194725,1671197,24964624.0,Inactive,AAV41877,C1CC(C1)(C2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN5C4=NNC5=O)C6=CC=CC=C6)N
2194727,1671197,135430323.0,Inactive,AAV41877,CC1=CC(=O)C2=C(C3=C4C5=C2C1=C(C=C5C(C(=C4C(=O)C=C3O)O)(C)C)O)O
2194729,1671197,22833489.0,Active,AAV41877,CCC(C(C(CC(C(C(C)Cl)Cl)Cl)Cl)Cl)Cl
2194733,1671197,443984.0,Inactive,AAV41877,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)[O-])C(=O)[O-])C.[Na+].[Na+]
2194735,1671197,50878556.0,Inactive,AAV41877,CCN1C=C[N+](=C1C)C.F[P-](F)(F)(F)(F)F
2194737,1671197,135400471.0,Active,AAV41877,C1=CC=C(C(=C1)/C=N/NC(=O)C2=CC=NC=C2)O
2194739,1671197,135398745.0,Inactive,AAV41877,CC1=CC2=C(S1)NC3=CC=CC=C3N=C2N4CCN(CC4)C
2194741,1671197,23662354.0,Inactive,AAV41877,C(CS(=O)(=O)[O-])S.[Na+]
2194743,1671197,60196374.0,Inactive,AAV41877,CCN1C=CN(C1C)C.Br
2194745,1671197,447043.0,Inactive,AAV41877,CC[C@@H]1[C@@]([C@@H]([C@H](N(C[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)O)(C)O)C)C)C)O)(C)O
2194747,1671197,60196296.0,Inactive,AAV41877,C1C2=C(C=CC(=C2Cl)Cl)NC3=NC(=CN31)O.Cl
2194749,1671197,23678596.0,Inactive,AAV41877,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C3=C(C=CC=C3OC)OC)C(=O)[O-])C.O.[Na+]
2194751,1671197,9889168.0,Active,AAV41877,CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC.[Cl-]
2194755,1671197,443157.0,Inactive,AAV41877,C[C@@H](CCC=C(C)C)CC=O
2194757,1671197,445639.0,Inactive,AAV41877,CCCCCCCC/C=C\CCCCCCCC(=O)O
2194759,1671197,72187525.0,Inactive,AAV41877,CCCCCCCCC/C=C\C=C/C=C\C=C/C=C\C(=O)OCC
2194761,1671197,442482.0,Active,AAV41877,CC1=CC[C@@H](C=C1)C(C)C
2194763,1671197,60196396.0,Inactive,AAV41877,CCC[N+]1(CCCC1)C.C(F)(F)(F)S(=O)(=O)[O-]
2194765,1671197,444008.0,Active,AAV41877,C[C@@H]1CC2=C(CCC(=O)C2)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O
2194767,1671197,12148754.0,Inactive,AAV41877,C1CN(CCC1C(=O)O)C2=C(C=C(C=C2)F)NC(=O)NC(=O)C3=CC(=C(C=C3Cl)F)F
2194769,1671197,22833331.0,Inactive,AAV41877,CCC(O)OCCCOC
2194771,1671197,46861540.0,Inactive,AAV41877,CN1CCC(CC1)NC2=NC=C3C(=N2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl.Cl.Cl
2194775,1671197,71311204.0,Inactive,AAV41877,O.O.O.O.O.O.Cl[Dy](Cl)Cl
2194777,1671197,442021.0,Inactive,AAV41877,COC1=C(C=C2C(=C1)[C@]34CCN5[C@H]3C[C@@H]6[C@@H]7[C@@H]4N2C(=O)C[C@@H]7OCC=C6C5)OC
2194779,1671197,60196394.0,Inactive,AAV41877,CCC[N+]1(CCCC1)C.[Cl-]
2194783,1671197,54685920.0,Inactive,AAV41877,C[C@@H]1[C@H]2[C@@H]([C@H]3[C@@H](C(=O)C(=C([C@]3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O.Cl
2194785,1671197,444036.0,Inactive,AAV41877,CCC(=O)O[C@@]1([C@@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2C[C@@H](C4=CC(=O)C=C[C@@]43C)F)F)O)C)C)C(=O)SCF
2194787,1671197,443755.0,Inactive,AAV41877,C1=CC=C2C(=C1)C(=O)[N-]S2(=O)=O.O.[Na+]
2194789,1671197,451668.0,Inactive,AAV41877,C1[C@@H]([C@H](O[C@H]1N2C=NC(=NC2=O)N)CO)O
2194791,1671197,66509063.0,Inactive,AAV41877,CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1[C@@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.O.OS(=O)(=O)O
2194793,1671197,442460.0,Inactive,AAV41877,CC(=O)O[C@@H]1CC2CCC1(C2(C)C)C
2194797,1671197,443879.0,Active,AAV41877,CC1=CC(=C(C=C1)O)[C@H](CCN(C(C)C)C(C)C)C2=CC=CC=C2
2194799,1671197,60196421.0,Active,AAV41877,COCCCCCCCCOCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C
2194801,1671197,460612.0,Active,AAV41877,C1=CC(=CC=C1C[C@@H](C(=O)O)N)N(CCCl)CCCl
2194803,1671197,24944555.0,Active,AAV41877,CCCCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F
2194805,1671197,12961638.0,Active,AAV41877,C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)[O-])I)I)[O-])I.[Na+].[Na+]
2194807,1671197,60196422.0,Inactive,AAV41877,CCCCC1=CC2=C(C=CC=C2S(=O)(=O)[O-])C=C1.[Na+]
2194809,1671197,441371.0,Active,AAV41877,CCCCCCCCCCCCOS(=O)(=O)O.CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)OC(=O)CC)(C)O)C)C)O)(C)O
2194811,1671197,60196385.0,Inactive,AAV41877,CCC[N+]1(CCCCC1)C.[Br-]
2194815,1671197,9810212.0,Inactive,AAV41877,C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)Br)[O-])Br)Br)[O-])Br.[Na+].[Na+]
2194819,1671197,441398.0,Inactive,AAV41877,CCOC(=O)OC(C)OC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2NC(=O)[C@@H](C3=CC=CC=C3)N)(C)C.Cl
2194821,1671197,458426.0,Active,AAV41877,CCCCCCCCCCCCN.Cl
2194823,1671197,53260965.0,Active,AAV41877,C[N+](C)(C)CCO.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
2194825,1671197,6063342.0,Active,AAV41877,COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)OC)OC
2194827,1671197,60196356.0,Inactive,AAV41877,CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=CC=C2)C(=O)N[C@H]3[C@@H]4N(C3=O)[C@@H](C(S4)(C)C)C(=O)[O-].[Na+]
2194829,1671197,441199.0,Inactive,AAV41877,CO[C@@]1([C@@H]2N(C1=O)C(=C(CS2)COC(=O)N)C(=O)O)NC(=O)CC3=CC=CS3
2194831,1671197,60196430.0,Active,AAV41877,CCC(C)(CCC(C)C)C(=O)[O-].CCC(C)(CCC(C)C)C(=O)[O-].[Zn+2]
2194833,1671197,459494.0,Active,AAV41877,C1=CC=C(C=C1)CCCC2=CC=CC=N2
2194835,1671197,22833320.0,Inactive,AAV41877,CC1=C(C(=CC=C1)S(=O)(=O)[O-])C.[NH4+]
2194837,1671197,312440.0,Inactive,AAV41877,CC(C)(C)NC(=O)OC1=CC=CC(=C1)NC(=O)N(C)C
2194839,1671197,135444498.0,Inactive,AAV41877,CC1=CC(=O)NC(=N1)C(C)C
2194841,1671197,441345.0,Inactive,AAV41877,CC1=C(OC2=C(C1=O)C=CC=C2C(=O)OCCN3CCCCC3)C4=CC=CC=C4.Cl
2194843,1671197,60196419.0,Active,AAV41877,C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)[O-])N)O)S(=O)(=O)O.O.[Na+]
2194845,1671197,23668192.0,Inactive,AAV41877,CC1=C(C=C(C=C1)S(=O)(=O)[O-])C.[Na+]
2194847,1671197,60196399.0,Active,AAV41877,CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)[N-]S(=O)(=O)C2=CC(=CO2)C(C)(C)O.[Na+]
2194849,1671197,444020.0,Inactive,AAV41877,C1[C@@H]([C@@H]([C@H]([C@@H]([C@]1(CO)O)O)O)O)NC(CO)CO
2194851,1671197,440968.0,Inactive,AAV41877,CC1=CC[C@H]2C[C@@H]1C2(C)C
2194853,1671197,443945.0,Inactive,AAV41877,CN1C2=CC=CC=C2C(=O)N(C3=CC=CC=C31)CCN(C)C.Cl
2194855,1671197,60196403.0,Active,AAV41877,COC1=CC=CC(=C1)C2=C(C=C(C=C2)/C=C\CN3CCCCCC3)Cl.Cl
2194857,1671197,16211072.0,Active,AAV41877,CCN1C=C[N+](=C1)C.[N+](=O)([O-])[O-]
2194859,1671197,60196351.0,Active,AAV41877,C1[C@@H](C2=C(CN1)C(=C(C=C2)O)O)C3=CC(=C(C=C3)O)O.Cl
2194861,1671197,441082.0,Inactive,AAV41877,C[C@H]1[C@H]2CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC=C5[C@@]4(CC[C@@H](C5)N(C)C)C)CN1C
2194863,1671197,60196408.0,Active,AAV41877,CCN(CC1=CN=CC=C1)C(=O)C2=C(C(=CC=C2)Cl)[C@]3(C4=C(C=CC(=C4)Cl)N(C3=O)CC5=C(C=C(C=C5)OC)OC)C.Cl
2194865,1671197,457193.0,Inactive,AAV41877,C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](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)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCCN7C(=O)[C@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C
2194867,1671197,445154.0,Active,AAV41877,C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O
2194869,1671197,5284462.0,Active,AAV41877,COP(=O)(OC)O/C(=C\Cl)/C1=CC(=C(C=C1Cl)Cl)Cl
2194873,1671197,441314.0,Inactive,AAV41877,C1[C@@H]([C@H]([C@@H]([C@H](N1CCO)CO)O)O)O
2194877,1671197,23666110.0,Active,AAV41877,C1=CC(=C(C=C1OC2=C(C=C(C=C2I)C[C@@H](C(=O)[O-])N)I)I)O.[Na+]
2194879,1671197,12310947.0,Active,AAV41877,C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2[C@]4(C(=C([C@@]3(C4(Cl)Cl)Cl)Cl)Cl)Cl
2194883,1671197,440917.0,Inactive,AAV41877,CC1=CC[C@@H](CC1)C(=C)C
2194887,1671197,2723754.0,Active,AAV41877,C1CCC2=NC3=CC=CC=C3C(=C2C1)N.Cl
2194889,1671197,16219349.0,Inactive,AAV41877,CCN[C@H](C)CC1=CC(=CC=C1)C(F)(F)F.Cl
2194891,1671197,53316396.0,Active,AAV41877,C1=CC(=CC(=C1)C2=N[N-]C(=N2)C(=O)N)C3=C(C=CC(=C3)F)OCC(C(F)(F)F)(F)F.O.[K+]
2194893,1671197,440936.0,Inactive,AAV41877,C1=CC(=CC=C1O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O
2194895,1671197,60196436.0,Active,AAV41877,CC(C)(CNC1=NC=C2C(=CC(=O)N(C2=N1)C)OC3=C(C=C(C=C3)F)F)O.Cl
2194897,1671197,444913.0,Inactive,AAV41877,C([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](O2)[C@@H]([C@H]7O)O)CO)CO)CO)CO)CO)O)O)O
2194899,1671197,444795.0,Active,AAV41877,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C
2194901,1671197,5284452.0,Inactive,AAV41877,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O.O
2194903,1671197,12056759.0,Inactive,AAV41877,CCCOC1=NN(C(=O)N1C)C(=O)[N-]S(=O)(=O)C2=CC=CC=C2C(=O)OC.[Na+]
2194905,1671197,441130.0,Inactive,AAV41877,C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O
2194907,1671197,135413523.0,Inactive,AAV41877,CCCC1=NN(C2=C1N=C(NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)C)OCC)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
2194909,1671197,23695324.0,Active,AAV41877,C1C(=NN(C1=O)C2=CC=C(C=C2)S(=O)(=O)O)C(=O)[O-].[Na+]
2194911,1671197,60196398.0,Active,AAV41877,CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)C(CO)C3=CC=CC=C3.OS(=O)(=O)O
2194913,1671197,441361.0,Inactive,AAV41877,C(CC(C(F)F)(C(=O)O)N)CN.O.Cl
2194915,1671197,441140.0,Active,AAV41877,C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC
2194917,1671197,439501.0,Inactive,AAV41877,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@H]([C@@]3([C@@H]4[C@@H](CC[C@@]3(C2)O)[C@]5(CC[C@@H]([C@]5(C[C@H]4O)C)C6=CC(=O)OC6)O)CO)O)O)O)O
2194919,1671197,60196389.0,Inactive,AAV41877,[B-](F)(F)(F)F.CCCC[N+]1=CC=CC=C1C
2194921,1671197,591200.0,Active,AAV41877,CC(C)CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCC(C)C
2194923,1671197,53316391.0,Inactive,AAV41877,CCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCC(=O)O
2194925,1671197,439280.0,Inactive,AAV41877,C1=CC2=C(C=C1O)C(=CN2)C[C@@H](C(=O)O)N
2194927,1671197,60196384.0,Inactive,AAV41877,CCCC[N+]1(CCCCC1)C.[I-]
2194929,1671197,444972.0,Inactive,AAV41877,C(=C/C(=O)O)\C(=O)O
2194931,1671197,444539.0,Inactive,AAV41877,C1=CC=C(C=C1)/C=C/C(=O)O
2194933,1671197,5283711.0,Active,AAV41877,C[C@H](CCCC(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C\3/C[C@H](CCC3=C)O)C
2194941,1671197,23697816.0,Inactive,AAV41877,C12=C(NC(=O)NC1=O)[N-]C(=O)N2.[Na+]
2194943,1671197,12310947.0,Inactive,AAV41877,C1[C@@H]2C=C[C@H]1[C@H]3[C@@H]2[C@]4(C(=C([C@@]3(C4(Cl)Cl)Cl)Cl)Cl)Cl
2194945,1671197,23672329.0,Inactive,AAV41877,C1=CC(=C(C=C1O)S(=O)(=O)[O-])O.[K+]
2194949,1671197,460129.0,Inactive,AAV41877,C([C@@H](C(=O)O)N)OC(=O)C=[N+]=[N-]
2194951,1671197,2724411.0,Active,AAV41877,CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.CN(C)C1=CC=C(C=C1)C(=C2C=CC(=[N+](C)C)C=C2)C3=CC=CC=C3.C(=O)(C(=O)O)O.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O
2194953,1671197,517055.0,Inactive,AAV41877,C1=CC=C(C=C1)C(=O)[O-].[Na+]
2194959,1671197,60196425.0,Active,AAV41877,CCC(C)(CCC(C)C)C(=O)O[Sn](C)(C)OC(=O)C(C)(CC)CCC(C)C
2194961,1671197,439250.0,Inactive,AAV41877,CC1=CC[C@H](CC1)C(=C)C
2194963,1671197,408285.0,Active,AAV41877,C1COCCN1CCN
2194965,1671197,5284378.0,Inactive,AAV41877,C1=CC(=C(C=C1N)S(=O)(=O)O)/C=C/C2=C(C=C(C=C2)N)S(=O)(=O)O
2194967,1671197,12309460.0,Active,AAV41877,C1[C@@H]2[C@H](COS(=O)O1)[C@@]3(C(=C([C@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl
2194969,1671197,16219385.0,Inactive,AAV41877,C(CC(=O)O)C(C(=O)O)N.O
2194971,1671197,3032472.0,Active,AAV41877,CC(C)NC1=NC(=NC(=N1)SC)N=[N+]=[N-]
2194973,1671197,23687810.0,Inactive,AAV41877,C1=CC(=CN=C1)C(=O)[O-].[Na+]
2194975,1671197,60196391.0,Inactive,AAV41877,CCCC[N+]1=CC=CC=C1C.F[P-](F)(F)(F)(F)F
2194977,1671197,23677829.0,Inactive,AAV41877,CC1=CC=C(C=C1)C(=O)C2=CC=C(N2C)CC(=O)[O-].O.O.[Na+]
2194979,1671197,21977262.0,Inactive,AAV41877,[B-](F)(F)(F)F.CCN1C=C[N+](=C1C)C
2194981,1671197,21917397.0,Inactive,AAV41877,CCCCCC[N+]1=CC=CC=C1.[I-]
2194983,1671197,60196378.0,Inactive,AAV41877,CCCN1CN(C=C1)C.Cl
2194985,1671197,522183.0,Inactive,AAV41877,C1=CC(=C(C(=C1)Cl)S(=O)(=O)Cl)Cl
2194987,1671197,135398740.0,Inactive,AAV41877,C1=NC2=C(N1COC(CO)CO)N=C(NC2=O)N
2194989,1671197,23661981.0,Active,AAV41877,C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)[O-].[Na+]
2194991,1671197,60196390.0,Inactive,AAV41877,CCCC[N+]1=CC=CC=C1C.C(F)(F)(F)S(=O)(=O)[O-]
2194993,1671197,443943.0,Active,AAV41877,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@]2([C@H](C[C@]4([C@H]3C[C@@H]5[C@]4(OC(O5)(C)C)C(=O)CCl)C)O)F
2194995,1671197,441328.0,Active,AAV41877,CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)N)SC1)C(=O)O
2194997,1671197,5281873.0,Active,AAV41877,CC1(C(C1C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)/C=C(/C(F)(F)F)\Cl)C
2194999,1671197,60196435.0,Inactive,AAV41877,CC(=O)N1[C@@H]2[C@H]1[C@@]3([C@H](C4=C(C=C(C=C4OC)C=O)N(C2)O3)COC(=O)N)OC(=O)C
2195001,1671197,16218793.0,Inactive,AAV41877,CCCC[P+](C)(CCCC)CCCC.COS(=O)(=O)[O-]
2195003,1671197,3001055.0,Inactive,AAV41877,CN/C(=C\[N+](=O)[O-])/NCCSCC1=CC=C(O1)CN(C)C
2195007,1671197,60196420.0,Active,AAV41877,C1[C@@H]2C=C[C@@H]1[C@H]3[C@@H]2[C@]4(C(=C([C@@]3(C4(Cl)Cl)Cl)Cl)Cl)Cl
2195009,1671197,23668197.0,Inactive,AAV41877,[O-]Cl=O.[Na+]
2195011,1671197,5805243.0,Active,AAV41877,C/C=C(/C(=C/C)/C1=CC=C(C=C1)OC(=O)C)\C2=CC=C(C=C2)OC(=O)C
2195013,1671197,5858790.0,Inactive,AAV41877,CO/N=C(/C1=CSC(=N1)NC(=O)CCl)\C(=O)O
2195015,1671197,17841257.0,Inactive,AAV41877,[B-](F)(F)(F)F.CCCC[N+]1=CC=CC(=C1)C
2195017,1671197,5368821.0,Active,AAV41877,C/C=C(\C)/C=C/C=C(C)C
2195019,1671197,25099474.0,Active,AAV41877,CC1=CN(C2=C1C=C(C=C2)F)NC(=O)C3=CN=C(N=C3C)C4=CC=CC=N4
2195021,1671197,23662264.0,Inactive,AAV41877,C1=C(C(=CC(=C1Cl)Cl)Cl)[O-].[Na+]
2195025,1671197,23669624.0,Inactive,AAV41877,CCCCCCCCS(=O)(=O)[O-].[Na+]
2195027,1671197,406563.0,Active,AAV41877,CC1=CC=C(C=C1)S(=O)(=O)O.CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)NC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F
2195029,1671197,5282485.0,Inactive,AAV41877,CCOCCN1C(=NC2=CC=CC=C12)N3CCN(CCC3)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O
2195031,1671197,12040509.0,Active,AAV41877,CCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
2195033,1671197,16212317.0,Active,AAV41877,COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC.O.[Cl-]
2195035,1671197,3019305.0,Active,AAV41877,C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)F)N
2195037,1671197,23665583.0,Active,AAV41877,COC1=CC=C(C=C1)C(=O)/C(=C\C(=O)[O-])/Br.[Na+]
2195039,1671197,60196411.0,Active,AAV41877,CC(=O)NC1(CCN(CC1)CC[C@]2(CN(C(=O)CO2)C3=CC=CC=C3)C4=CC(=C(C=C4)Cl)Cl)C5=CC(=CC=C5)F.C(CC(=O)O)C(=O)O
2195041,1671197,23665761.0,Inactive,AAV41877,C1(=NC(=O)N(C(=O)N1Cl)Cl)[O-].[K+]
2195043,1671197,16210995.0,Inactive,AAV41877,CCN1C=C[N+](=C1C)C.C(F)(F)(F)S(=O)(=O)[O-]
2195049,1671197,5371084.0,Active,AAV41877,CCC(=O)/C=C/C1C(=CCCC1(C)C)C
2195053,1671197,14552708.0,Active,AAV41877,CCCCCCCCCCOCC(CN)O.Cl
2195055,1671197,60196322.0,Active,AAV41877,CCC(=O)N(C1CCN(CC1)C(C)CC2=CC=CS2)C3=CC=CC=C3.Cl
2195057,1671197,23670844.0,Inactive,AAV41877,C1=C(C=C(C=C1C(=O)O)S(=O)(=O)[O-])C(=O)O.[Na+]
2195059,1671197,21619272.0,Inactive,AAV41877,CC(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])CCl
2195063,1671197,135409453.0,Inactive,AAV41877,CCCCCN=C(N)N/N=C/C1=CNC2=C1C=C(C=C2)OC
2195065,1671197,16204922.0,Inactive,AAV41877,CC(=O)CC(C1=CC=CC=C1)C2=C(C3=CC=CC=C3OC2=O)[O-].[Na+]
2195067,1671197,67818.0,Inactive,AAV41877,C(=O)(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
2195071,1671197,60196412.0,Inactive,AAV41877,CC(C)[C@@]1(CC[C@H](C1)[NH2+][C@H]2CCOC[C@H]2OC)C(=O)N3CCC4=C(C3)C=C(C=N4)C(F)(F)F.C(CC(=O)[O-])C(=O)O
2195073,1671197,23664361.0,Active,AAV41877,C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)[O-])N)O)S(=O)(=O)O.[Na+]
2195075,1671197,16220118.0,Inactive,AAV41877,CC1=C(N(C(=C1)CC(=O)[O-])C)C(=O)C2=CC=C(C=C2)Cl.[Na+]
2195079,1671197,56649463.0,Active,AAV41877,C[C@@H]1C[C@H]2[C@@H]3C[C@@H](C4=CC(=O)C(=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CO)O)C)O)F)C)Cl)F.O
2195081,1671197,5364079.0,Inactive,AAV41877,CCNC(=O)NC(=O)/C(=N/OC)/C#N
2195083,1671197,5372405.0,Active,AAV41877,CCNP(=S)(OC)O/C(=C/C(=O)OC(C)C)/C
2195085,1671197,23683016.0,Inactive,AAV41877,CC(C)COC(=O)CC(C(=O)OCC(C)C)S(=O)(=O)[O-].[Na+]
2195089,1671197,23665759.0,Inactive,AAV41877,C(C(=O)[O-])Cl.[Na+]
2195091,1671197,6096946.0,Inactive,AAV41877,[NH4+].[NH4+].[O-]S(=O)(=S)[O-]
2195093,1671197,5280970.0,Inactive,AAV41877,C(/C=C\Cl)Cl
2195095,1671197,60196440.0,Active,AAV41877,C1CCCN(CC1)CC2=CC=C(S2)C3=NC(=NO3)CCN4C(=O)C5=CC=CC=C5C4=O.C(=C/C(=O)O)\C(=O)O
2195097,1671197,1349907.0,Inactive,AAV41877,CN1C=CNC1=S
2195099,1671197,67172.0,Active,AAV41877,CC1=CC(=C(C=C1O)C)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=C(C=C(C(=C4)C)O)C
2195101,1671197,23662369.0,Inactive,AAV41877,C1=CC=C(C=C1)CN2C3=CC=CC=C3C(=N2)OCC(=O)[O-].[Na+]
2195103,1671197,60196413.0,Inactive,AAV41877,CCOC1=CC=CC(=C1)C2(CCC(CC2)C)N3CCN(CC3)C4=CC=CC=C4.CS(=O)(=O)O
2195107,1671197,587128.0,Inactive,AAV41877,CCC(=O)C1=CC(=CC=C1)Cl
2195109,1671197,5359421.0,Inactive,AAV41877,CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)O)O[C@H]3[C@H](CC4)O
2195111,1671197,60196428.0,Inactive,AAV41877,CC(C)C1=CC2=C(C=C1)C(=CC(=C2S(=O)(=O)[O-])C(C)C)C(C)C.[Na+]
2195113,1671197,5355130.0,Active,AAV41877,CCCCC(CC)COC(=O)/C=C/C1=CC=C(C=C1)OC
2195115,1671197,5374527.0,Active,AAV41877,C/C=C/C(=O)C1=C(CCCC1(C)C)C
2195117,1671197,23668193.0,Active,AAV41877,N(=O)[O-].[Na+]
2195119,1671197,60196312.0,Active,AAV41877,C[C@H]1[C@@H]2CC3=C([C@]1(CCN2C)C)C=C(C=C3)O.C[C@H]1[C@@H]2CC3=C([C@]1(CCN2C)C)C=C(C=C3)O.C(=C/C(=O)O)\C(=O)O
2195121,1671197,23672325.0,Inactive,AAV41877,C1=CC=C(C=C1)NCC(=O)[O-].[K+]
2195123,1671197,6101499.0,Inactive,AAV41877,CCCCN(CCCC)C(=S)[S-].CCCCN(CCCC)C(=S)[S-].[Ni+2]
2195125,1671197,5273467.0,Active,AAV41877,CC(C)CCOC(=O)/C=C/C1=CC=CC=C1
2195127,1671197,135408793.0,Inactive,AAV41877,C1=CC=C2C(=C1)C(=O)NN=N2
2195129,1671197,517827.0,Active,AAV41877,CC(C)C1=CC=C(C=C1)CC(C)C=O
2195131,1671197,66760.0,Inactive,AAV41877,C1=CC2=NNN=C2C=C1Cl
2195133,1671197,23663539.0,Inactive,AAV41877,C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)[O-].[Na+]
2195135,1671197,60196379.0,Active,AAV41877,CCCCCCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
2195137,1671197,23663992.0,Inactive,AAV41877,CC(C)C1=C(C(=C(C(=N1)C(C)C)COC)C2=CC=C(C=C2)F)/C=C/[C@H](C[C@H](CC(=O)[O-])O)O.[Na+]
2195139,1671197,586708.0,Active,AAV41877,CCCCCCCCCOC(=O)C1=CC=C(C=C1)O
2195141,1671197,5388983.0,Inactive,AAV41877,CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O
2195145,1671197,23681107.0,Inactive,AAV41877,C(CC(O)(P(=O)(O)O)P(=O)(O)[O-])CN.O.O.O.[Na+]
2195147,1671197,520888.0,Inactive,AAV41877,CC1=C(SC(=N1)C)C(=O)C
2195149,1671197,23694214.0,Inactive,AAV41877,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2[C@H](C[C@]4([C@H]3CC[C@@]4(C(=O)COC(=O)CCC(=O)[O-])O)C)O.[Na+]
2195151,1671197,60196318.0,Active,AAV41877,CCC(=O)N(C1CCN(CC1)CC2=CC=CC=C2)C3=CC=CC=C3.Cl
2195153,1671197,23677323.0,Active,AAV41877,C=CCOCC(CS(=O)(=O)[O-])O.[Na+]
2195155,1671197,5803450.0,Active,AAV41877,CCC(=O)/C=C/C1=CC=C(C=C1)OC
2195157,1671197,5281708.0,Active,AAV41877,C1=CC(=CC=C1C2=COC3=C(C2=O)C=CC(=C3)O)O
2195161,1671197,517063.0,Inactive,AAV41877,C(CS(=O)(=O)[O-])O.[Na+]
2195163,1671197,66932.0,Inactive,AAV41877,CC(C)CCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C
2195165,1671197,13628993.0,Inactive,AAV41877,[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Ni+2]
2195167,1671197,60196375.0,Active,AAV41877,CCCCCCCCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
2195169,1671197,23662383.0,Inactive,AAV41877,CCCCC(CC)COS(=O)(=O)[O-].[Na+]
2195171,1671197,5447130.0,Active,AAV41877,C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)N
2195173,1671197,5352135.0,Active,AAV41877,CC/C(=C(/C1=CC=C(C=C1)O)\C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3
2195175,1671197,46783063.0,Active,AAV41877,CCC(=O)N(C1CCN(CC1)CC2=CC=CS2)C3=CC=CC=C3.Cl
2195179,1671197,472181.0,Active,AAV41877,CN(C)C(=S)[S-].CN(C)C(=S)[S-].[Cu+2]
2195181,1671197,23707968.0,Active,AAV41877,CCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
2195183,1671197,60196427.0,Active,AAV41877,CC(C)CC(C)CC(C)CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)CC(C)CC(C)CC(C)C
2195185,1671197,13961743.0,Inactive,AAV41877,CC(C)OC1=C(SC2=C1C=C(C=C2)OC)C(=O)NC3=NN=N[N-]3.[Na+]
2195187,1671197,23700091.0,Inactive,AAV41877,C1=CC=C2C(=C1)C=CC=C2CC(=O)[O-].[K+]
2195191,1671197,135400182.0,Inactive,AAV41877,CC1=NC2=C(C=C(C=C2)CN(C)C3=CC=C(S3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)N1
2195193,1671197,5377323.0,Active,AAV41877,C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]
2195195,1671197,66245.0,Inactive,AAV41877,CC(C)NCC(C1=CC=C(C=C1)NS(=O)(=O)C)O.Cl
2195197,1671197,13713368.0,Active,AAV41877,CC(C)C[C@@H]1[C@@H](OC(=O)N1CCCN2CCCCCC2)C3=CC=CC=C3.Cl
2195201,1671197,14306122.0,Inactive,AAV41877,CCCCCCCCCOC(=O)CCCCC(=O)OCCCCCCC
2195203,1671197,522105.0,Active,AAV41877,CC1=CC(=CC=C1)N.Cl
2195205,1671197,11375816.0,Active,AAV41877,CCCCCCCCCCCCCC[P+](CCCCCC)(CCCCCC)CCCCCC.[Cl-]
2195209,1671197,23668193.0,Inactive,AAV41877,N(=O)[O-].[Na+]
2195211,1671197,5368491.0,Active,AAV41877,CCCCC/C(=C\C1=CC=CC=C1)/CO
2195213,1671197,5284448.0,Inactive,AAV41877,CCCCCCCC/C=C/CCCCCCCC(=O)OCCOCC(C1C(CC(O1)OCCO)OCCO)OCCO
2195215,1671197,60196261.0,Inactive,AAV41877,C1CCCN(CCC1)CCN=C(N)N.OS(=O)(=O)O.OS(=O)(=O)O
2195217,1671197,12971008.0,Inactive,AAV41877,CCCN1C=C[N+](=C1)C.[I-]
2195219,1671197,23676814.0,Inactive,AAV41877,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)[O-])C.[K+]
2195221,1671197,5271565.0,Inactive,AAV41877,COC(=O)/C=C\C(=O)OC
2195223,1671197,60196324.0,Active,AAV41877,CCC(=O)N(C1CCN(CC1)CCC2=CC=CS2)C3=CC=CC=C3.Cl
2195227,1671197,66030.0,Active,AAV41877,CCCCCCCCCCCCC1=CC=C(C=C1)O
2195229,1671197,5284385.0,Active,AAV41877,COC1=CC(=C(C=C1)N)OC.Cl
2195231,1671197,60196372.0,Inactive,AAV41877,CC1C=C[C-]=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[Mn]
2195233,1671197,13379149.0,Inactive,AAV41877,CNC.[N+](=O)(O)[O-]
2195235,1671197,524314.0,Inactive,AAV41877,CCCCC1=CC=C(C=C1)Cl
2195239,1671197,46783367.0,Inactive,AAV41877,C[C@H]1/C=C/C=C\C=C\C=C\C=C\C=C\C=C\[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)O)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O
2195241,1671197,23677963.0,Inactive,AAV41877,C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C=C1O.[K+]
2195243,1671197,5365793.0,Inactive,AAV41877,C/C=C/C(=O)OCC(C)C
2195249,1671197,13035120.0,Active,AAV41877,C1CN(CCN1CCCCl)C2=CC(=CC=C2)Cl.Cl
2195253,1671197,3047798.0,Active,AAV41877,CC1CC(=O)NN=C1C2=CC=C(C=C2)NCC(C)(C)NCC(COC3=C(C=CC(=C3)Cl)C#N)O
2195255,1671197,135401907.0,Inactive,AAV41877,C1=NNC2=C1C(=O)NC=N2
2195257,1671197,5366074.0,Inactive,AAV41877,C/C=C/C(=O)C1=C(C=CCC1(C)C)C
2195259,1671197,65114.0,Inactive,AAV41877,C1=NN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)O
2195261,1671197,5284419.0,Inactive,AAV41877,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC(=C(C=C5)OC)OC)O)O)O)O)O)O)O
2195263,1671197,60196368.0,Inactive,AAV41877,C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)COS(=O)[O-])OS(=O)[O-])OS(=O)[O-])COS(=O)[O-])OS(=O)[O-])OS(=O)[O-])OS(=O)[O-])OS(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
2195265,1671197,338733.0,Active,AAV41877,CC(C)CCCCCCC1=CC=C(C=C1)O
2195267,1671197,520108.0,Active,AAV41877,CC(=O)C1=NC=CS1
2195271,1671197,54680660.0,Active,AAV41877,CCCCCCCCCCCCCCCC(=O)OC[C@@H]([C@@H]1C(=C(C(=O)O1)O)O)O
2195273,1671197,23678874.0,Active,AAV41877,C(C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(F)F)(C(C(F)(F)F)(F)F)(F)F.[K+]
2195275,1671197,5362620.0,Active,AAV41877,CCCCC/C=C\CCC=O
2195277,1671197,5284369.0,Active,AAV41877,C1=CC=C(C=C1)/C=C/COC(=O)C2=CC=CC=C2N
2195279,1671197,135398741.0,Inactive,AAV41877,CC(C)[C@@H](C(=O)OCCOCN1C=NC2=C1N=C(NC2=O)N)N.Cl
2195283,1671197,23675339.0,Inactive,AAV41877,CC1=NN(C(=O)C1N=NC2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)[O-].[Na+]
2195285,1671197,3058839.0,Active,AAV41877,CC(=C)C(=O)OCCOC1CC2CC1C3C2CC=C3
2195287,1671197,53398649.0,Active,AAV41877,CN(C)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)OCC#C.Cl
2195289,1671197,5367460.0,Active,AAV41877,CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC
2195293,1671197,5283387.0,Inactive,AAV41877,CCCCCCCC/C=C\CCCCCCCC(=O)N
2195303,1671197,445354.0,Active,AAV41877,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C
2195305,1671197,23679004.0,Inactive,AAV41877,CC(C)(CO)[C@H](C(=O)NCCC(=O)[O-])O.[Na+]
2195307,1671197,5352837.0,Inactive,AAV41877,CC/C=C\CCCCO
2195309,1671197,5284613.0,Inactive,AAV41877,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O
2195311,1671197,21881620.0,Active,AAV41877,CC1=CC=C(C=C1)/C=C/2\C3CCC(C2=O)C3(C)C
2195313,1671197,5282409.0,Inactive,AAV41877,CN(C)CCOC(C1=CC=C(C=C1)Cl)C2=CC=CC=N2.C(=C\C(=O)O)\C(=O)O
2195315,1671197,23670838.0,Inactive,AAV41877,CCCCCCCCC1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
2195319,1671197,444041.0,Active,AAV41877,C([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](O2)[C@@H]([C@H]8O)O)CO)CO)CO)CO)CO)CO)O)O)O
2195321,1671197,5362833.0,Inactive,AAV41877,CC/C=C\CC/C=C/CO
2195323,1671197,60561.0,Active,AAV41877,CC(=O)SC[C@@H](CC1=CC=CC=C1)C(=O)NCC(=O)OCC2=CC=CC=C2
2195325,1671197,5282494.0,Inactive,AAV41877,CCCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CO
2195327,1671197,60196270.0,Inactive,AAV41877,CC1=C(C=CC=C1NC2=C(C=CC=N2)C(=O)O)C(F)(F)F.CNC[C@@H]([C@H]([C@H]([C@@H](CO)O)O)O)O
2195329,1671197,5284360.0,Inactive,AAV41877,CN(C)C(=O)COC(=O)CC1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N.CS(=O)(=O)O
2195331,1671197,5371562.0,Inactive,AAV41877,C/C(=C\C(=O)NC)/OP(=O)(OC)OC
2195333,1671197,967.0,Active,AAV41877,C1=C(NC(=O)NC1=O)C(=O)O
2195337,1671197,23664290.0,Inactive,AAV41877,CC1=C(C=C(C=C1)C(=O)C(=O)[O-])C.[Na+]
2195339,1671197,5355858.0,Active,AAV41877,CC(=CCCC(C)(C=C)OC(=O)/C=C/C1=CC=CC=C1)C
2195341,1671197,5284349.0,Inactive,AAV41877,C1=CC=C(C=C1)N=NC2=C(C3=C(C(=C(C=C3C=C2S(=O)(=O)[O-])S(=O)(=O)[O-])N=NC4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=C(C=C(C=C6)N)N)N)O.[Na+].[Na+]
2195345,1671197,5281875.0,Inactive,AAV41877,CC1(CN=C(NC1)NN=C(/C=C/C2=CC=C(C=C2)C(F)(F)F)/C=C/C3=CC=C(C=C3)C(F)(F)F)C
2195347,1671197,23668195.0,Inactive,AAV41877,[O-]Br(=O)=O.[Na+]
2195349,1671197,3033871.0,Active,AAV41877,CCCCCCCCN1CCCC1=O
2195351,1671197,135398738.0,Inactive,AAV41877,CN(C)/N=N/C1=C(NC=N1)C(=O)N
2195353,1671197,5362115.0,Active,AAV41877,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N(CC(=O)O)C2CC3=CC=CC=C3C2.Cl
2195355,1671197,60703.0,Inactive,AAV41877,C1CN(CCC1CC2=CC=C(C=C2)F)CC(C3=CC=C(C=C3)Cl)O
2195357,1671197,5281078.0,Inactive,AAV41877,CC1=C2COC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OCCN3CCOCC3)O
2195359,1671197,53316418.0,Inactive,AAV41877,CC[S+](C)CC.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
2195361,1671197,5282386.0,Inactive,AAV41877,CC1=CC(=CC(=C1CC2=NCCN2)C)C(C)(C)C.Cl
2195363,1671197,5367785.0,Inactive,AAV41877,C/C=C(\C)/C(=O)OC/C=C(\C)/CCC=C(C)C
2195365,1671197,938.0,Inactive,AAV41877,C1=CC(=CN=C1)C(=O)O
2195367,1671197,445354.0,Active,AAV41877,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/CO)/C)/C
2195369,1671197,23667639.0,Inactive,AAV41877,CC1(OC[C@H]2[C@@H](O1)[C@H]3[C@@](O2)(OC(O3)(C)C)C(=O)[O-])C.[Na+]
2195371,1671197,22833295.0,Inactive,AAV41877,C1CN2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2[C@@]61C7=CC=CC=C75.C1CN2CC3=CCO[C@H]4CC(=O)N5[C@H]6[C@H]4[C@H]3C[C@H]2[C@@]61C7=CC=CC=C75.OS(=O)(=O)O
2195373,1671197,44134533.0,Inactive,AAV41877,CCCCCC(C)N.CCCCCC(C)N.OS(=O)(=O)O
2195375,1671197,6099917.0,Inactive,AAV41877,C1(=NC(=NC(=N1)[S-])[S-])[S-].[Na+].[Na+].[Na+]
2195377,1671197,5282474.0,Inactive,AAV41877,CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(\CC3=CC=CS3)/C(=O)O.CS(=O)(=O)O
2195379,1671197,23665771.0,Inactive,AAV41877,CCCCCCCCCCOS(=O)(=O)[O-].[Na+]
2195381,1671197,3033842.0,Inactive,AAV41877,CC12CCCC=C1C(=O)OC2=O
2195383,1671197,443939.0,Inactive,AAV41877,C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)N)O.Cl
2195385,1671197,5354133.0,Active,AAV41877,CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC)O
2195387,1671197,60751.0,Active,AAV41877,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
2195389,1671197,5280443.0,Active,AAV41877,C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
2195391,1671197,135398658.0,Inactive,AAV41877,C1=CC(=CC=C1C(=O)N[C@@H](CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N
2195393,1671197,5281576.0,Active,AAV41877,C[C@H]1CCCC(=O)CCC/C=C/C2=C(C(=CC(=C2)O)O)C(=O)O1
2195397,1671197,864.0,Inactive,AAV41877,C1CSSC1CCCCC(=O)O
2195399,1671197,12040508.0,Inactive,AAV41877,CCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
2195401,1671197,23690437.0,Active,AAV41877,CCOC(=S)[S-].[Na+]
2195403,1671197,445070.0,Active,AAV41877,CC(=CCC/C(=C/CC/C(=C/CO)/C)/C)C
2195405,1671197,539829.0,Active,AAV41877,CC(C)C(=O)OC1=C(C=C(C=C1)C=O)OC
2195407,1671197,22833389.0,Inactive,AAV41877,CCCCCCCCCCCC(=O)OC[C@H]([C@@H]1[C@@H]([C@H](CO1)OCCO)OCCO)O
2195409,1671197,5281168.0,Active,AAV41877,CCC/C=C/C=O
2195411,1671197,23700188.0,Inactive,AAV41877,C1=CC=C(C=C1)/C=C/S(=O)(=O)[N-]C(=O)C2=C(C=C(C=C2)F)Cl.[Na+]
2195413,1671197,3033769.0,Inactive,AAV41877,CCN1CCC[C@H]1CNC(=O)C2=C(C(=CC(=C2OC)Cl)Cl)O
2195415,1671197,135413536.0,Active,AAV41877,C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F
2195417,1671197,23665770.0,Inactive,AAV41877,CCCCCCCCCCCCCCOS(=O)(=O)[O-].[Na+]
2195421,1671197,5273469.0,Active,AAV41877,C1=CC=C(C=C1)COC(=O)/C=C/C2=CC=CC=C2
2195423,1671197,135418174.0,Inactive,AAV41877,CCN1C2=C(C(=N1)C)N=C(CNC2=O)C3=CC=C(C=C3)O
2195425,1671197,5281116.0,Inactive,AAV41877,CCCCCCCC/C=C\CCCCCCCCCCCC(=O)O
2195429,1671197,774.0,Inactive,AAV41877,C1=C(NC=N1)CCN
2195431,1671197,444305.0,Inactive,AAV41877,[C@@H]([C@H](C(=O)O)O)(C(=O)O)O
2195433,1671197,13218777.0,Active,AAV41877,C[C@H]1[C@@H](SC(=O)N1C(=O)NC2CCCCC2)C3=CC=C(C=C3)Cl
2195435,1671197,445154.0,Active,AAV41877,C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O
2195437,1671197,516872.0,Inactive,AAV41877,C(#N)[S-].[K+]
2195441,1671197,5281707.0,Active,AAV41877,C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O
2195443,1671197,23617864.0,Inactive,AAV41877,CCC(=O)O[C@@H]1C[C@H]2CC[C@@]1(C2(C)C)C
2195445,1671197,3032791.0,Active,AAV41877,COC(=O)NC(=S)NC1=CC=CC=C1NC(=S)NC(=O)OC
2195447,1671197,460129.0,Inactive,AAV41877,C([C@@H](C(=O)O)N)OC(=O)C=[N+]=[N-]
2195449,1671197,23665719.0,Inactive,AAV41877,CC(C)(CS(=O)(=O)[O-])NC(=O)C=C.[Na+]
2195451,1671197,57364.0,Inactive,AAV41877,C1CN(CC=C1C2=CC=CC=C2)CCCCC3=CNC4=C3C=C(C=C4)C(=O)O
2195453,1671197,3036974.0,Active,AAV41877,C=CC(=O)OCC1CCC2C1C3CC(C2C3)COC(=O)C=C
2195455,1671197,135398638.0,Inactive,AAV41877,C1=NC2=C(N1)C(=O)NC=N2
2195457,1671197,5280805.0,Inactive,AAV41877,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
2195461,1671197,702.0,Inactive,AAV41877,CCO
2195463,1671197,60196386.0,Inactive,AAV41877,CCC[N+]1(CCCCC1)C.F[P-](F)(F)(F)(F)F
2195465,1671197,14720269.0,Active,AAV41877,CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3[N-]2)OCCCOC.[Na+]
2195467,1671197,449459.0,Active,AAV41877,CC/C(=C(\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)OCCN(C)C)/C3=CC=CC=C3
2195469,1671197,493570.0,Active,AAV41877,CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@@H]([C@@H]([C@@H](CO)O)O)O
2195471,1671197,444972.0,Inactive,AAV41877,C(=C/C(=O)O)\C(=O)O
2195473,1671197,5280863.0,Active,AAV41877,C1=CC(=CC=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O
2195475,1671197,23663976.0,Inactive,AAV41877,CC(C)N1C2=CC=CC=C2C(=C1/C=C/[C@H](C[C@H](CC(=O)[O-])O)O)C3=CC=C(C=C3)F.[Na+]
2195477,1671197,67406.0,Inactive,AAV41877,CC1=CC(=CC=C1)OC(=O)C
2195481,1671197,23690256.0,Active,AAV41877,CC1=C(C(=C(C=C1/C(=C/2\C=C(C(=O)C(=C2C)Br)Br)/C3=CC=CC=C3S(=O)(=O)[O-])Br)O)Br.[Na+]
2195483,1671197,62098.0,Active,AAV41877,CC(=O)CCC1=CC2=C(C=C1)OCO2
2195485,1671197,3034034.0,Inactive,AAV41877,COC1=CC2=C(C=CN=C2C=C1)[C@H]([C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)O
2195487,1671197,135408793.0,Inactive,AAV41877,C1=CC=C2C(=C1)C(=O)NN=N2
2195489,1671197,5281081.0,Inactive,AAV41877,CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])/C#N
2195491,1671197,5355850.0,Active,AAV41877,CCC(=O)OC/C=C/C1=CC=CC=C1
2195493,1671197,6.0,Active,AAV41877,C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])Cl
2195495,1671197,444212.0,Inactive,AAV41877,C(/C(=C\C(=O)O)/C(=O)O)C(=O)O
2195497,1671197,12961638.0,Active,AAV41877,C1=CC=C2C(=C1)C(=O)OC23C4=CC(=C(C(=C4OC5=C(C(=C(C=C35)I)[O-])I)I)[O-])I.[Na+].[Na+]
2195499,1671197,444266.0,Active,AAV41877,C(=C\C(=O)O)\C(=O)O
2195505,1671197,5280450.0,Inactive,AAV41877,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O
2195507,1671197,5288209.0,Active,AAV41877,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NC2=CC=C(C=C2)O)/C)/C
2195509,1671197,67065.0,Active,AAV41877,C1=CC=C(C=C1)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O
2195511,1671197,441334.0,Inactive,AAV41877,CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.CC(C)(C)NCC(C1=CC(=CC(=C1)O)O)O.OS(=O)(=O)O
2195515,1671197,61431.0,Inactive,AAV41877,CCCCCCCC(OC)OC
2195517,1671197,3035467.0,Inactive,AAV41877,CCC(OCCCOC)OC(=O)C
2195519,1671197,135399235.0,Inactive,AAV41877,CCCOC1=CC=CC=C1C2=NC3=NNN=C3C(=O)N2
2195521,1671197,5280360.0,Inactive,AAV41877,CCCCC[C@@H](/C=C/[C@H]1[C@@H](CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O)O
2195525,1671197,9571009.0,Inactive,AAV41877,CC(/C(=N/OC(=O)NC)/C)S(=O)(=O)C
2195527,1671197,60196433.0,Inactive,AAV41877,C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O[C@@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)C(=O)[O-])O)O)O)C)(C)C(=O)O.[NH4+].O.O.O
2195529,1671197,5289501.0,Inactive,AAV41877,C/C(=C\C1=CC=C(C=C1)C(=O)O)/C2=CC3=C(C=C2)C(CCC3(C)C)(C)C
2195531,1671197,441130.0,Inactive,AAV41877,C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O
2195535,1671197,447466.0,Active,AAV41877,C/C=C/C=O
2195537,1671197,5284451.0,Active,AAV41877,CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2.C(=C\C(=O)O)\C(=O)O
2195539,1671197,5284469.0,Active,AAV41877,C=C1C(C2(C(C(C1(C2(Cl)Cl)Cl)Cl)Cl)Cl)(CCl)CCl
2195543,1671197,23160059.0,Active,AAV41877,CCCCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]
2195545,1671197,23662354.0,Inactive,AAV41877,C(CS(=O)(=O)[O-])S.[Na+]
2195551,1671197,22833294.0,Active,AAV41877,CC1(C(=C)[C@@]2(C([C@]1(C(C2(Cl)Cl)(Cl)Cl)Cl)Cl)Cl)C
2195553,1671197,16211417.0,Inactive,AAV41877,CCCCCCCCCCCCN1C=C[N+](=C1)C.[I-]
2195555,1671197,5353788.0,Inactive,AAV41877,CCO/C(=N/C1=C[N+](=NO1)N2CCOCC2)/[O-]
2195557,1671197,135.0,Inactive,AAV41877,C1=CC(=CC=C1C(=O)O)O
2195559,1671197,443955.0,Inactive,AAV41877,CC[C@@]12CCCN3[C@@H]1C4=C(CC3)C5=CC=CC=C5N4C(=C2)C(=O)OCC
2195561,1671197,5284629.0,Active,AAV41877,CCO[C@H]1[C@@H]([C@H]([C@H](O1)C(COCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)O
2195563,1671197,439570.0,Inactive,AAV41877,CC1=CC[C@H](CC1=O)C(=C)C
2195567,1671197,22833454.0,Active,AAV41877,CCCC(CC)CCCCCCCN
2195569,1671197,5280343.0,Active,AAV41877,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
2195571,1671197,5284409.0,Inactive,AAV41877,CC(C)(C)NC[C@@H](COC1=CC=CC2=C1CCCC2=O)O.Cl
2195573,1671197,66636.0,Inactive,AAV41877,CCOC(=O)C1=NN(C(=O)C1)C2=CC=CC=C2
2195577,1671197,23625795.0,Inactive,AAV41877,CC(C)[C@@H](CC1=CC(=C(C=C1)OC)OCCCOC)C[C@@H]([C@H](C[C@@H](C(C)C)C(=O)NCC(C)(C)C(=O)N)O)N.Cl
2195579,1671197,61207.0,Inactive,AAV41877,CC(C)(C)OC=O
2195581,1671197,3033825.0,Active,AAV41877,C[C@@H]1CC(=O)NN=C1C2=CC=C(C=C2)NN=C(C#N)C#N
2195583,1671197,16212360.0,Inactive,AAV41877,C(C(=O)[O-])F.[Na+]
2195585,1671197,520148.0,Inactive,AAV41877,CCC(C)C(=O)OCCC1=CC=CC=C1
2195587,1671197,5352624.0,Active,AAV41877,CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)SC)C=CC(=C2)F)CC(=O)O
2195589,1671197,9556529.0,Active,AAV41877,C1=CC(=C(C=C1Cl)Cl)CO/N=C(\CN2C=CN=C2)/C3=C(C=C(C=C3)Cl)Cl.[N+](=O)(O)[O-]
2195591,1671197,60196332.0,Inactive,AAV41877,C[C@H](CC1=CC(=C(C=C1OC)Br)OC)N.Cl
2195593,1671197,5284439.0,Active,AAV41877,C1CCC(CC1)C(CC2CCCCN2)C3CCCCC3.C(=C\C(=O)O)\C(=O)O
2195595,1671197,6112114.0,Active,AAV41877,CC1=CC=CC=C1OCC2=CC=CC=C2/C(=N\OC)/C(=O)OC
2195597,1671197,5365049.0,Inactive,AAV41877,CC/C=C\CCOC(=O)CC
2195601,1671197,10329304.0,Inactive,AAV41877,[Cl-].[Cl-].[Fe+2]
2195603,1671197,5281069.0,Active,AAV41877,C[C@@](C1=CC=CC=C1)(C2=CC=C(C=C2)Cl)OCC[C@H]3CCCN3C.C(=C/C(=O)O)\C(=O)O
2195605,1671197,62341.0,Inactive,AAV41877,CC(C1=CC=CC=C1)OC(=O)C
2195607,1671197,442495.0,Inactive,AAV41877,C[C@@H]1CCC(=C(C)C)C(=O)C1
2195609,1671197,23661868.0,Inactive,AAV41877,C1=CC=C2C=C(C=CC2=C1)S(=O)(=O)[O-].[Na+]
2195611,1671197,61100.0,Active,AAV41877,C1=CC=C(C=C1)CCNN.OS(=O)(=O)O
2195615,1671197,45356234.0,Inactive,AAV41877,C1[C@H]2[C@@H]([C@H]([C@@H]1Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl
2195617,1671197,517058.0,Inactive,AAV41877,CC(C(=O)[O-])(Cl)Cl.[Na+]
2195619,1671197,23691021.0,Inactive,AAV41877,COCCOC1=CC(=CC=C1)S(=O)(=O)[N-]C2=NC=CC=N2.[Na+]
2195623,1671197,21124389.0,Inactive,AAV41877,C1CN[C@@H]2CC3=C4[C@@]15[C@H]2C=C[C@@H]([C@@H]5OC4=C(C=C3)O)O.Cl
2195625,1671197,5283345.0,Active,AAV41877,CCCCCCC/C=C/C=O
2195627,1671197,904.0,Active,AAV41877,CC(=O)NC1=CC=CC=C1
2195629,1671197,5365672.0,Active,AAV41877,CCCCC/C=C/C/C=C/CCCCCCCC(=O)OCC
2195631,1671197,448812.0,Inactive,AAV41877,C1C[C@H]2C(=O)N[C@@H](CSSCCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCCN=C(N)N)C(=O)N
2195633,1671197,9954540.0,Active,AAV41877,C1CCN[C@@H](C1)[C@H](C2=CC=CC=C2)NC(=O)C3=C(C(=CC=C3)C(F)(F)F)Cl
2195635,1671197,5281077.0,Inactive,AAV41877,CCC(/C=C/Cl)(C#C)O
2195637,1671197,61410.0,Inactive,AAV41877,CCCCCCCCC(=O)OCC=C
2195639,1671197,441242.0,Inactive,AAV41877,CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)C(C4=CC=C(C=C4)O)C(=O)[O-])OC)OC2)C(=O)[O-].[Na+].[Na+]
2195643,1671197,62530.0,Inactive,AAV41877,CC(C)(C)CC(C)(C)C1=CC=CC=C1O
2195645,1671197,68186.0,Inactive,AAV41877,C1CN(CCC12C(=O)NCN2C3=CC=CC=C3)CCCOC4=CC=C(C=C4)F
2195649,1671197,5372813.0,Inactive,AAV41877,C/C(=C\C1=CC=CC=C1)/C=O
2195651,1671197,23667548.0,Inactive,AAV41877,C([C@@H]([C@@H]1C(=C(C(=O)O1)O)[O-])O)O.[Na+]
2195653,1671197,9568700.0,Inactive,AAV41877,CC(C)(/C=N/OC(=O)NC)S(=O)C
2195655,1671197,60196319.0,Inactive,AAV41877,CCC1=CC(=C(C=C1OC)C[C@H](C)N)OC.Cl
2195657,1671197,5284373.0,Active,AAV41877,CC[C@H]1C(=O)N(CC(=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)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)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
2195659,1671197,875.0,Inactive,AAV41877,C(C(C(=O)O)O)(C(=O)O)O
2195661,1671197,5362792.0,Inactive,AAV41877,CC/C=C\CCCCCO
2195663,1671197,443048.0,Active,AAV41877,CCCCCOC(=O)COC1=C(C=C(C(=C1)N2C(=O)C3=C(C2=O)CCCC3)F)Cl
2195665,1671197,9984487.0,Active,AAV41877,CC1=CC(=CC2=C1NC(=O)CC2(C)C)CCN3CCN(CC3)C4=NSC5=CC=CC=C54.CS(=O)(=O)O
2195669,1671197,61571.0,Inactive,AAV41877,CCN(CC)C1CCCCC1
2195671,1671197,444025.0,Inactive,AAV41877,CCOC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)C(=O)OCCl
2195673,1671197,5284503.0,Inactive,AAV41877,CC/C=C/CCO
2195675,1671197,62306.0,Active,AAV41877,CC1COC2=CC=CC=C2N1C(=O)C(Cl)Cl
2195677,1671197,66357.0,Active,AAV41877,CC(=C)C(=O)OCCOC1=CC=CC=C1
2195679,1671197,444266.0,Inactive,AAV41877,C(=C\C(=O)O)\C(=O)O
2195681,1671197,5367650.0,Inactive,AAV41877,CC/C=C/CCCCCCCCCCOC(=O)C
2195683,1671197,23689980.0,Inactive,AAV41877,C(O)S(=O)[O-].[Na+]
2195685,1671197,23677963.0,Inactive,AAV41877,C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C=C1O.[K+]
2195687,1671197,5842000.0,Active,AAV41877,COP(=O)(OC)O/C(=C/Cl)/C1=CC(=C(C=C1Cl)Cl)Cl
2195689,1671197,5281855.0,Inactive,AAV41877,C1=C2C3=C(C(=C1O)O)OC(=O)C4=CC(=C(C(=C43)OC2=O)O)O
2195691,1671197,447.0,Inactive,AAV41877,C1=CC(=CC(=C1)Cl)C(=O)O
2195693,1671197,5355856.0,Inactive,AAV41877,CCCC(=O)OC/C=C(\C)/CCC=C(C)C
2195697,1671197,9935274.0,Active,AAV41877,CC1=NC=CN1C2=CC=C(C=C2)SC3=CC=CC(=C3)C4(CCOCC4)C(=O)N.CS(=O)(=O)O
2195699,1671197,542762.0,Inactive,AAV41877,C(C(=O)O)(Cl)Br
2195701,1671197,61138.0,Inactive,AAV41877,C=CCCC(=O)O
2195703,1671197,439524.0,Inactive,AAV41877,CC(C)C[C@H](C(=O)O)N
2195705,1671197,5284459.0,Active,AAV41877,C1=CC=C(C=C1)/C=C/[N+](=O)[O-]
2195707,1671197,62253.0,Active,AAV41877,CCCCCCCCCC[N+](C)(CCCCCCCCCC)CCC[Si](OC)(OC)OC.[Cl-]
2195709,1671197,66187.0,Inactive,AAV41877,CO[Si](C)(C)OC
2195711,1671197,16217215.0,Inactive,AAV41877,CCN1C=C[N+](=C1)C.OS(=O)(=O)[O-]
2195715,1671197,23675274.0,Active,AAV41877,C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F.[K+]
2195717,1671197,23676814.0,Active,AAV41877,CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)COC3=CC=CC=C3)C(=O)[O-])C.[K+]
2195719,1671197,60196272.0,Inactive,AAV41877,COC1=C(C=C(C=C1)S(=O)(=O)N2[C@@H]([C@@](C3=C2C=CC(=C3)Cl)(C4=CC=CC=C4Cl)O)C(=O)N5CCC[C@@H]5C(=O)N)OC
2195721,1671197,5281032.0,Active,AAV41877,CN1CCN(CC1)CCCN2C3=C(SC4=CC=CC=C24)C=CC(=C3)Cl.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
2195723,1671197,757.0,Inactive,AAV41877,C(C(=O)O)O
2195725,1671197,11076461.0,Active,AAV41877,CCCC[N+]1(CCCC1)C.[I-]
2195727,1671197,387179.0,Active,AAV41877,C1=CC(=C(C=C1O)C=O)Br
2195729,1671197,517637.0,Active,AAV41877,CC(COC(=O)C1=CC=CC=C1)OC(=O)C2=CC=CC=C2
2195733,1671197,61053.0,Active,AAV41877,CCOC1=CC=C(C=C1)NC(=O)CC(=O)C
2195735,1671197,441140.0,Inactive,AAV41877,C[C@@H]1CC(=O)C=C([C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)OC
2195737,1671197,5284466.0,Inactive,AAV41877,[Cl-].[Cl-].[Sn+2]
2195739,1671197,62572.0,Inactive,AAV41877,CCOC(=O)CC(C)O
2195741,1671197,68385.0,Inactive,AAV41877,CN(C)CCOC1=CC=C(C=C1)CNC(=O)C2=CC(=C(C(=C2)OC)OC)OC.Cl
2195743,1671197,442972.0,Inactive,AAV41877,C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC=C6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1
2195745,1671197,5362736.0,Inactive,AAV41877,C1CCCCCC(=O)CCC/C=C\CCCC1
2195747,1671197,5284452.0,Active,AAV41877,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O.O.O
2195751,1671197,23678979.0,Active,AAV41877,CC(C)C1=CC2=CC[C@@H]3[C@@]([C@H]2CC1)(CCC[C@@]3(C)C(=O)[O-])C.[Na+]
2195753,1671197,5280961.0,Active,AAV41877,C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O
2195755,1671197,798.0,Inactive,AAV41877,C1=CC=C2C(=C1)C=CN2
2195757,1671197,11150163.0,Active,AAV41877,CC1=C(C(=CC=C1)C)N([C@H](C)C(=O)OC)C(=O)COC
2195759,1671197,444254.0,Inactive,AAV41877,C[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](O[C@@H]([C@@H]([C@H]2O)O)O[C@@H]3[C@H](O[C@H]([C@@H]([C@H]3O)O)O)CO)CO)O)O)N[C@H]4C=C([C@H]([C@@H]([C@H]4O)O)O)CO
2195761,1671197,520196.0,Active,AAV41877,CCCCCCC(C)(C)S
2195763,1671197,526624.0,Inactive,AAV41877,CC1=C(C=CO1)SSC2=C(OC=C2)C
2195765,1671197,65947.0,Inactive,AAV41877,CC1N2C3=CC(=C(C=C3C(=O)C(=C2S1)C(=O)O)F)N4CCN(CC4)CC5=C(OC(=O)O5)C
2195767,1671197,21943953.0,Active,AAV41877,C1CCC(CC1)C2=C(C=CC(=C2)C3(CCCCC3)C4=CC(=C(C=C4)O)C5CCCCC5)O
2195769,1671197,5282379.0,Active,AAV41877,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C\C(=O)O)/C)/C
2195771,1671197,62960.0,Inactive,AAV41877,CS(=O)(=O)O.C1[C@@H]2[C@@H](C2N)CN1C3=C(C=C4C(=O)C(=CN(C4=N3)C5=C(C=C(C=C5)F)F)C(=O)O)F
2195773,1671197,65776.0,Active,AAV41877,CC1=C(N(C2=C1C=C(C=C2)C(=O)OCCN(C)C)CC3=CC=CC=C3)C
2195781,1671197,23672293.0,Active,AAV41877,CC(C)CP(=S)(CC(C)C)[S-].[Na+]
2195783,1671197,60196269.0,Inactive,AAV41877,C[C@@H]([C@@H](C1=CC(=CC=C1)O)O)N.[C@@H]([C@@H](C(=O)O)O)(C(=O)O)O
2195785,1671197,5280567.0,Inactive,AAV41877,CC1=CC(=O)OC2=C1C=CC(=C2)O
2195787,1671197,379.0,Inactive,AAV41877,CCCCCCCC(=O)O
2195789,1671197,11048796.0,Active,AAV41877,CO/N=C(\C1=CC=CC=C1OC2=C(C(=NC=N2)OC3=CC=CC=C3Cl)F)/C4=NOCCO4
2195791,1671197,387447.0,Active,AAV41877,B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=CN=C2)(O)O
2195793,1671197,522325.0,Inactive,AAV41877,CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N(C)CS(=O)(=O)[O-].[Na+]
2195795,1671197,517326.0,Inactive,AAV41877,C(C(=O)[O-])(Cl)Cl.[Na+]
2195797,1671197,65659.0,Inactive,AAV41877,C1COCCN1CCCNC(=O)C2=CC=C(C=C2)Cl
2195799,1671197,441350.0,Inactive,AAV41877,C[C@](CC1=CC=C(C=C1)O)(C(=O)O)N
2195801,1671197,5281515.0,Inactive,AAV41877,C/C/1=C\CCC(=C)[C@H]2CC([C@@H]2CC1)(C)C
2195805,1671197,65632.0,Inactive,AAV41877,C1CSC(=O)C1NC(=O)CSCC(=O)O
2195807,1671197,445154.0,Active,AAV41877,C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O
2195811,1671197,5288209.0,Active,AAV41877,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)NC2=CC=C(C=C2)O)/C)/C
2195813,1671197,23667638.0,Inactive,AAV41877,C1(=NC(=O)N(C(=O)N1Cl)Cl)[O-].O.O.[Na+]
2195815,1671197,23679813.0,Inactive,AAV41877,CC(C)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
2195817,1671197,5280443.0,Active,AAV41877,C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
2195819,1671197,323.0,Inactive,AAV41877,C1=CC=C2C(=C1)C=CC(=O)O2
2195821,1671197,11048104.0,Inactive,AAV41877,CCCC[N+]1(CCCC1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
2195823,1671197,443101.0,Active,AAV41877,C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N.C1=CC(=CC2=NC3=C(C=CC(=C3)N)C=C21)N.[Cl-]
2195825,1671197,517546.0,Inactive,AAV41877,CCN(CC)C(=S)[S-].O.O.O.[Na+]
2195827,1671197,516871.0,Inactive,AAV41877,C(#N)[S-].[Na+]
2195829,1671197,64772.0,Active,AAV41877,CC[N+](CC)(CC1=CC=CC=C1)CC(=O)NC2=C(C=CC=C2C)C.C1=CC=C2C(=C1)C(=O)N=S2(=O)[O-]
2195831,1671197,3081361.0,Inactive,AAV41877,CN1CCC(CC1)COC2=C(C=C3C(=C2)N=CN=C3NC4=C(C=C(C=C4)Br)F)OC
2195833,1671197,5282136.0,Inactive,AAV41877,C1CCN(CC1)CC2=CC(=NC=C2)OC/C=C\CNC(=O)CS(=O)CC3=CC=CO3
2195835,1671197,51040.0,Inactive,AAV41877,CC(C)(C)C1=CC=C(C=C1)C(=O)CC(=O)C2=CC=C(C=C2)OC
2195837,1671197,65502.0,Inactive,AAV41877,C[C@@H]1CCC[C@@H](N1CCCC(C2=CC=CC=C2)(C3=CC=CC=N3)O)C
2195839,1671197,546717.0,Inactive,AAV41877,CCCCN(CCCC)C(=S)[S-].[Na+]
2195841,1671197,5355850.0,Active,AAV41877,CCC(=O)OC/C=C/C1=CC=CC=C1
2195843,1671197,5282209.0,Inactive,AAV41877,CO[C@H]1[C@@H](C[C@@H]2CN3CCC4=C([C@H]3C[C@@H]2[C@@H]1C(=O)OC)NC5=C4C=CC(=C5)OC)OC(=O)/C=C/C6=CC(=C(C=C6)O)OC
2195845,1671197,23695905.0,Inactive,AAV41877,CCC1=C(C(=CC=C1)CC)NC(=O)C(=O)[O-].[Na+]
2195849,1671197,5271566.0,Inactive,AAV41877,CCOC(=O)/C=C\C(=O)OCC
2195851,1671197,263.0,Inactive,AAV41877,CCCCO
2195853,1671197,995.0,Active,AAV41877,C1=CC=C2C(=C1)C=CC3=CC=CC=C32
2195855,1671197,22078297.0,Inactive,AAV41877,CCCCCCCCCCN1C=C[N+](=C1)C.[Br-]
2195857,1671197,517232.0,Inactive,AAV41877,C(=O)(N)[O-].[NH4+]
2195859,1671197,520789.0,Inactive,AAV41877,CC1(CC(=O)CC(N1[O])(C)C)C
2195861,1671197,62374.0,Inactive,AAV41877,CC1=CC(=O)CC(C1=O)(C)C
2195863,1671197,440968.0,Inactive,AAV41877,CC1=CC[C@H]2C[C@@H]1C2(C)C
2195867,1671197,43226.0,Active,AAV41877,C1=CC=C(C(=C1)C(C2=CC=C(C=C2)Cl)(C3=CN=CN=C3)O)Cl
2195869,1671197,65442.0,Inactive,AAV41877,CC(=C)C(=O)OCC(CO)O
2195871,1671197,444795.0,Active,AAV41877,CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C(=O)O)/C)/C
2195873,1671197,5355019.0,Inactive,AAV41877,CCCSS/C(=C(\C)/N(CC1=CN=C(N=C1N)C)C=O)/CCO
2195875,1671197,5281162.0,Active,AAV41877,CCCCC/C=C\C=C\C(=O)OCC
2195877,1671197,23663974.0,Inactive,AAV41877,CCN1CCN(C(=O)C1=O)C(=O)N[C@H](C2=CC=C(C=C2)O)C(=O)N[C@H]3[C@@H]4N(C3=O)C(=C(CS4)CSC5=NN=NN5C)C(=O)[O-].[Na+]
2195879,1671197,23676735.0,Active,AAV41877,C1=CC=C(C(=C1)C(=O)O)C(=O)[O-].[K+]
2195881,1671197,221260.0,Inactive,AAV41877,CCC(C)(OOC(C)(C)C)OOC(C)(C)C
2195883,1671197,1046.0,Inactive,AAV41877,C1=CN=C(C=N1)C(=O)N
2195885,1671197,1004.0,Inactive,AAV41877,OP(=O)(O)O
2195887,1671197,441336.0,Active,AAV41877,C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4([C@]3([C@H](C[C@@]2([C@]1(C(=O)CCl)OC(=O)C5=CC=CO5)C)O)Cl)C
2195891,1671197,516871.0,Inactive,AAV41877,C(#N)[S-].[Na+]
2195895,1671197,3058692.0,Inactive,AAV41877,C[C@H]1[C@H](OC(=N1)N)C2=CC=CC=C2
2195897,1671197,22239085.0,Active,AAV41877,CCCCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]
2195899,1671197,47326.0,Active,AAV41877,CC1(C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C
2195901,1671197,65057.0,Active,AAV41877,C1=CC=C(C=C1)C2=C(C2=O)C3=CC=CC=C3
2195903,1671197,5367706.0,Inactive,AAV41877,CC/C=C\CCOC(=O)C1=CC=CC=C1
2195905,1671197,5354626.0,Active,AAV41877,CCCCCCCCCCCCCCCC/C=C/C1CC(=O)OC1=O
2195907,1671197,5281567.0,Active,AAV41877,COC1=CC(=O)O[C@H](C1)/C=C/C2=CC3=C(C=C2)OCO3
2195909,1671197,759280.0,Active,AAV41877,C1=CC(=CC=C1/C=C/C(=O)O)/C=C/C(=O)O
2195911,1671197,135398737.0,Inactive,AAV41877,CN1CCN(CC1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42
2195919,1671197,3033992.0,Active,AAV41877,C=COCCOCCOCCOC=C
2195921,1671197,550206.0,Inactive,AAV41877,C1CN(CCN1)C(=O)C2=CC=CO2
2195923,1671197,5388983.0,Inactive,AAV41877,CC[C@@]1(C[C@H]2C[C@@](C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O.OS(=O)(=O)O
2195925,1671197,60953.0,Inactive,AAV41877,CCCCCOC(=O)NC1=NC(=O)N(C=C1F)[C@H]2[C@@H]([C@@H]([C@H](O2)C)O)O
2195933,1671197,64710.0,Inactive,AAV41877,CCC[C@@H]1C[C@H](N(C1)C)C(=O)N[C@@H]([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)O)O)O)[C@@H](C)O.Cl
2195935,1671197,441325.0,Active,AAV41877,CCCCC1=C(C2=CC=CC=C2O1)C(=O)C3=CC(=C(C(=C3)I)OCCN(CC)CC)I.Cl
2195937,1671197,11074431.0,Inactive,AAV41877,CC1=CC(=O)[N-]S(=O)(=O)O1.[K+]
2195939,1671197,5280805.0,Inactive,AAV41877,C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O
2195941,1671197,5284557.0,Active,AAV41877,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#C)O)C
2195943,1671197,23668196.0,Inactive,AAV41877,C[C@H](CCC(=O)[O-])[C@H]1CC[C@@H]2[C@@]1([C@H](C[C@H]3[C@H]2CC[C@H]4[C@@]3(CC[C@H](C4)O)C)O)C.[Na+]
2195945,1671197,189821.0,Inactive,AAV41877,CC1=N[C@@]2([C@H](O1)C[C@@H]3[C@@]2(C[C@@H]([C@H]4[C@H]3CCC5=CC(=O)C=C[C@]45C)O)C)C(=O)COC(=O)C
2195947,1671197,4338370.0,Active,AAV41877,C1=CC(=C(C=C1N)[N+](=O)[O-])N
2195951,1671197,440967.0,Inactive,AAV41877,CC1([C@H]2CCC(=C)[C@@H]1C2)C
2195953,1671197,5447130.0,Inactive,AAV41877,C1=C(OC(=C1)[N+](=O)[O-])/C=N/NC(=O)N
2195955,1671197,5362118.0,Inactive,AAV41877,C1C[C@H](N(C1)C(=O)[C@H](CCCCN)N[C@@H](CCC2=CC=CC=C2)C(=O)O)C(=O)O.O.O
2195957,1671197,60651.0,Inactive,AAV41877,CN1CCN(CC1)C2=C(C=C3C4=C2OCN(N4C=C(C3=O)C(=O)O)C)F
2195961,1671197,11219835.0,Active,AAV41877,C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC(=CC=C3)C(=O)O)F
2195967,1671197,5366352.0,Inactive,AAV41877,CC/C=C\CCOC(C)OCC
2195971,1671197,5280450.0,Active,AAV41877,CCCCC/C=C\C/C=C\CCCCCCCC(=O)O
2195979,1671197,23682187.0,Inactive,AAV41877,COC1=CC(=NC(=N1)SC2=C(C(=CC=C2)Cl)C(=O)[O-])OC.[Na+]
2195983,1671197,3034287.0,Inactive,AAV41877,CCN(CC1=CN=C(C=C1)Cl)/C(=C/[N+](=O)[O-])/NC
2195985,1671197,5388962.0,Inactive,AAV41877,CCOC(=O)[C@H](CCC1=CC=CC=C1)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)O
2195987,1671197,5365552.0,Inactive,AAV41877,C/C=C/CC=C
2195989,1671197,53232.0,Inactive,AAV41877,CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C
2195991,1671197,16212746.0,Inactive,AAV41877,CCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[O-]
2195993,1671197,11193251.0,Inactive,AAV41877,CC1=C(C=CC(=C1)C(C(F)(F)F)(C(F)(F)F)F)NC(=O)C2=C(C(=CC=C2)I)C(=O)NC(C)(C)CS(=O)(=O)C
2195997,1671197,62829.0,Active,AAV41877,CC1=C(C(=O)C[C@@H]1OC(=O)[C@@H]2[C@H](C2(C)C)C=C(C)C)CC=C
2196001,1671197,996.0,Inactive,AAV41877,C1=CC=C(C=C1)O
2196003,1671197,11171853.0,Inactive,AAV41877,[B-](F)(F)(F)F.CCCN1C=C[N+](=C1)C
2196005,1671197,5284435.0,Inactive,AAV41877,C1=CC=C(C=C1)NC2=C(C=C(C=C2)NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])S(=O)(=O)[O-].[Na+]
2196009,1671197,182951.0,Active,AAV41877,CCOC(=O)COC1=C(C=C(C(=C1)C2=NN(C(=C2Cl)OC(F)F)C)F)Cl
2196013,1671197,311.0,Inactive,AAV41877,C(C(=O)O)C(CC(=O)O)(C(=O)O)O
2196015,1671197,392622.0,Active,AAV41877,CC(C)C1=NC(=CS1)CN(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C[C@@H]([C@H](CC3=CC=CC=C3)NC(=O)OCC4=CN=CS4)O
2196017,1671197,5373773.0,Active,AAV41877,CCOCCOC(=O)/C=C/C1=CC=C(C=C1)OC
2196019,1671197,5360487.0,Active,AAV41877,C1=CC(=CC=C1CCO)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)[N+](=O)[O-])O
2196023,1671197,3033674.0,Active,AAV41877,CCCCOC(=O)[C@@H](C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F
2196025,1671197,971.0,Active,AAV41877,C(=O)(C(=O)O)O
2196027,1671197,42574.0,Active,AAV41877,CC1=CC(=C(C=C1NC(=O)C2=C(C(=CC(=C2)I)I)O)Cl)C(C#N)C3=CC=C(C=C3)Cl
2196029,1671197,62485.0,Active,AAV41877,CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)N2N=C3C=CC=CC3=N2
2196031,1671197,5363388.0,Inactive,AAV41877,CC/C=C\CCOC(=O)C
2196033,1671197,957.0,Inactive,AAV41877,CCCCCCCCO
2196035,1671197,1046.0,Inactive,AAV41877,C1=CN=C(C=N1)C(=O)N
2196037,1671197,5282433.0,Active,AAV41877,CCCCCOC1=CC=CC=C1/C(=C\SC)/N2C=CN=C2
2196039,1671197,23692768.0,Inactive,AAV41877,C1CCC(CC1)OC(=O)CC(C(=O)OC2CCCCC2)S(=O)(=O)[O-].[Na+]
2196045,1671197,9601227.0,Active,AAV41877,C/C(=N\OC(=O)N(SN(C(=O)O/N=C(/SC)\C)C)C)/SC
2196047,1671197,3086676.0,Active,AAV41877,COC1=C2CCCCC(C2=NC=C1)S(=O)C3=NC4=CC=CC=C4N3
2196049,1671197,5377791.0,Active,AAV41877,CCOP(=O)(OCC)O/C(=C/Cl)/C1=C(C=C(C=C1)Cl)Cl
2196051,1671197,5358902.0,Inactive,AAV41877,CCOC(=O)/C=C/C(=O)O
2196053,1671197,53232.0,Active,AAV41877,CC[C@H](C)C(=O)O[C@H]1C[C@H](C=C2[C@H]1[C@H]([C@H](C=C2)C)CC[C@@H]3C[C@H](CC(=O)O3)O)C
2196055,1671197,590836.0,Active,AAV41877,CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C
2196057,1671197,970.0,Active,AAV41877,C(C(=O)C(=O)O)C(=O)O
2196059,1671197,41632.0,Active,AAV41877,CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)OC(C)C
2196061,1671197,62428.0,Active,AAV41877,CCOC(=O)CC1=CC=CC2=CC=CC=C21
2196065,1671197,985.0,Active,AAV41877,CCCCCCCCCCCCCCCC(=O)O
2196071,1671197,5283292.0,Inactive,AAV41877,CCCC/C=C/CCCCO
2196073,1671197,158629.0,Active,AAV41877,C1=CC(=C(C(=C1C2=CC(=C(C(=C2)Br)Br)Br)Br)Br)Br
2196077,1671197,9574235.0,Active,AAV41877,COC1=C(C=C(C=C1)/C=N/NC(=O)C2=CC=NC=C2)OC
2196079,1671197,23681217.0,Inactive,AAV41877,CCC1(C(=O)NC(=NC1=O)[O-])CC.[Na+]
2196083,1671197,5360515.0,Inactive,AAV41877,C1CC1CN2CC[C@]34[C@@H]5C(=O)CC[C@]3([C@H]2CC6=C4C(=C(C=C6)O)O5)O
2196085,1671197,47326.0,Active,AAV41877,CC1(C(C1(C)C)C(=O)OC(C#N)C2=CC(=CC=C2)OC3=CC=CC=C3)C
2196087,1671197,3036780.0,Inactive,AAV41877,CN1C[C@@H]2[C@@H](C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24
2196089,1671197,949.0,Active,AAV41877,CN(C)C1=CC=CC=C1
2196093,1671197,62306.0,Active,AAV41877,CC1COC2=CC=CC=C2N1C(=O)C(Cl)Cl
2196095,1671197,5361514.0,Active,AAV41877,CC(C)[C@H](C1=CC=C(C=C1)Cl)C(=O)O[C@@H](C#N)C2=CC(=CC=C2)OC3=CC=CC=C3
2196097,1671197,1018.0,Inactive,AAV41877,C1=CC=NC(=C1)C(=O)O
2196099,1671197,936.0,Inactive,AAV41877,C1=CC(=CN=C1)C(=O)N
2196101,1671197,5281576.0,Active,AAV41877,C[C@H]1CCCC(=O)CCC/C=C/C2=C(C(=CC(=C2)O)O)C(=O)O1
2196103,1671197,12991988.0,Active,AAV41877,CCCC[N+](C)(C)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
2196105,1671197,156422.0,Active,AAV41877,CC1=CC=C(C=C1)N2C(=CC(=N2)C(C)(C)C)NC(=O)NC3=CC=C(C4=CC=CC=C43)OCCN5CCOCC5
2196109,1671197,9570290.0,Active,AAV41877,CCOP(=S)(OCC)O/N=C(\C#N)/C1=CC=CC=C1
2196111,1671197,68226.0,Inactive,AAV41877,C1=CC=C2C(=C1)C(=C3C=CC=CC3=C2Br)Br
2196113,1671197,5362564.0,Active,AAV41877,CCC(C)C1N=C(C(S1)C)C
2196115,1671197,5355863.0,Active,AAV41877,C/C(=C\C(=O)OC)/OP(=O)(OC)OC
2196117,1671197,43261.0,Inactive,AAV41877,CC1(O[C@@H]2[C@H]([C@H](O[C@@H]2O1)C(CO)O)OCCCN(C)C)C.Cl
2196121,1671197,785.0,Inactive,AAV41877,C1=CC(=CC=C1O)O
2196123,1671197,39186.0,Inactive,AAV41877,CC(=O)O[C@@H]1[C@@H](SC2=CC=CC=C2N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC
2196125,1671197,62097.0,Active,AAV41877,CCCCNC(=O)OCC#CI
2196129,1671197,904.0,Inactive,AAV41877,CC(=O)NC1=CC=CC=C1
2196131,1671197,867.0,Inactive,AAV41877,C(C(=O)O)C(=O)O
2196133,1671197,5281034.0,Inactive,AAV41877,C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C)O)CC[C@@H]4[C@@]3(C/C(=C/O)/C(=O)C4)C
2196135,1671197,5284416.0,Active,AAV41877,[Cl-].[Cl-].[Hg+2]
2196137,1671197,151173.0,Inactive,AAV41877,C1C(O[C@H](O1)CO)N2C=CC(=NC2=O)N
2196139,1671197,23668817.0,Inactive,AAV41877,CCCCCCCCCCCC(=O)N(C)CC(=O)[O-].[Na+]
2196141,1671197,12195864.0,Inactive,AAV41877,CCCC[N+]1(CCCC1)C.C(F)(F)(F)S(=O)(=O)[O-]
2196143,1671197,23684896.0,Inactive,AAV41877,CNCCS(=O)(=O)[O-].[Na+]
2196145,1671197,5360316.0,Inactive,AAV41877,[Ca+2].[Br-].[Br-]
2196147,1671197,5356789.0,Active,AAV41877,CCCCCCCC/C=C\CCCCCCCCN
2196149,1671197,42586.0,Active,AAV41877,CC1=C(C(=CC=C1)C)N(C(C)C(=O)OC)C(=O)COC
2196151,1671197,66826.0,Inactive,AAV41877,C1=CC(=CC=C1[N+](=O)[O-])[As](=O)(O)O
2196153,1671197,713.0,Inactive,AAV41877,C(=O)N
2196157,1671197,61594.0,Active,AAV41877,C1CCC(C1)C2=C(C=CC(=C2)Cl)O
2196159,1671197,5371002.0,Active,AAV41877,CC1CC=C(C(C1(C)C)/C=C/C(=O)C)C
2196161,1671197,887.0,Inactive,AAV41877,CO
2196165,1671197,5281004.0,Inactive,AAV41877,CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C
2196169,1671197,131204.0,Inactive,AAV41877,CC(C)(CO)[C@H](C(=O)NCCCO)O
2196171,1671197,23663996.0,Inactive,AAV41877,CC(C)(C1=CC=CC=C1CC[C@H](C2=CC=CC(=C2)/C=C/C3=NC4=C(C=CC(=C4)Cl)C=C3)SCC5(CC5)CC(=O)[O-])O.[Na+]
2196173,1671197,11953897.0,Inactive,AAV41877,CN1N=C(C(=O)N=C1SCC2=C(N3C(=O)[C@H]([C@H]3SC2)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)C(=O)[O-])[O-].CN1N=C(C(=O)N=C1SCC2=C(N3C(=O)[C@H]([C@H]3SC2)NC(=O)/C(=N\OC)/C4=CSC(=N4)N)C(=O)[O-])[O-].O.O.O.O.O.O.O.[Na+].[Na+].[Na+].[Na+]
2196175,1671197,66597.0,Inactive,AAV41877,CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=CC=C2O
2196177,1671197,5355130.0,Active,AAV41877,CCCCC(CC)COC(=O)/C=C/C1=CC=C(C=C1)OC
2196179,1671197,5354280.0,Active,AAV41877,CCOC1=C(C=C(C=C1)/C=C/C)O
2196181,1671197,43079.0,Active,AAV41877,CN1C=C(C(=O)C(=C1)C2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C3
2196183,1671197,519368.0,Inactive,AAV41877,C[Si](C)(C=C)Cl
2196185,1671197,864.0,Active,AAV41877,C1CSSC1CCCCC(=O)O
2196187,1671197,38779.0,Active,AAV41877,CCCSP(=O)(OCC)OC1=C(C=C(C=C1)Br)Cl
2196189,1671197,60967.0,Active,AAV41877,C(C(Br)(Br)Br)(Br)Br
2196193,1671197,727.0,Inactive,AAV41877,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl
2196197,1671197,5280343.0,Active,AAV41877,C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)O)O)O
2196199,1671197,5282229.0,Active,AAV41877,CC(=CCC/C(=C/CC/C(=C/C(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O)/C)/C)C
2196201,1671197,134669.0,Inactive,AAV41877,C(CO)CSC[C@@H](C(=O)O)N
2196203,1671197,23661960.0,Active,AAV41877,C1=CC=C(C=C1)C(=O)[O-].[K+]
2196207,1671197,23690996.0,Inactive,AAV41877,C=CCS(=O)(=O)[O-].[Na+]
2196209,1671197,5356785.0,Inactive,AAV41877,C1=CC=C(C=C1)/C=C\C2=CC=CC=C2
2196211,1671197,5352539.0,Inactive,AAV41877,CC/C=C\CCOC(=O)C(C)C
2196213,1671197,41448.0,Inactive,AAV41877,C1C2=CC=CC=C2C(=O)C3=C(O1)C=CC(=C3)CC(=O)O
2196215,1671197,66743.0,Inactive,AAV41877,CCOC(=O)C1=CC=C(C=C1)C
2196217,1671197,995.0,Active,AAV41877,C1=CC=C2C(=C1)C=CC3=CC=CC=C32
2196221,1671197,60560.0,Inactive,AAV41877,CCC1=CN=C(C=C1)CCOC2=CC=C(C=C2)CC3C(=O)NC(=O)S3.Cl
2196225,1671197,727.0,Active,AAV41877,C1(C(C(C(C(C1Cl)Cl)Cl)Cl)Cl)Cl
2196229,1671197,5271569.0,Active,AAV41877,CCCCOC(=O)/C=C\C(=O)OCCCC
2196231,1671197,5281516.0,Active,AAV41877,CC(=CCC/C(=C/C/C=C(\C)/C=C)/C)C
2196233,1671197,120081.0,Inactive,AAV41877,COC1=C(C=C2C(=C1)C(=O)NC(=O)N2)OC
2196235,1671197,23703451.0,Active,AAV41877,CCC/C(=C\1/C(=O)CC(C(=C1[O-])C(=O)OC)(C)C)/NOCC=C.[Na+]
2196237,1671197,1711973.0,Active,AAV41877,C[C@@H](CCCC(C)(C)OC)C/C=C/C(=C/C(=O)OC(C)C)/C
2196239,1671197,66494.0,Inactive,AAV41877,C1=CC=C(C(=C1)C(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C(=O)O
2196243,1671197,16760703.0,Inactive,AAV41877,CCCC(CCC)C(=O)[O-].[Na+]
2196247,1671197,519907.0,Inactive,AAV41877,CSC1=NC=CN=C1
2196253,1671197,60758.0,Active,AAV41877,CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=CC=CC=C4N3C.Cl
2196255,1671197,23682789.0,Inactive,AAV41877,COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)[O-])OC.[Na+]
2196259,1671197,660.0,Inactive,AAV41877,C1CC(=O)OC2=CC=CC=C21
2196261,1671197,16682746.0,Active,AAV41877,CCCC[Sn](CCCC)(CCCC)O[Sn](CCCC)(CCCC)CCCC
2196263,1671197,5281764.0,Inactive,AAV41877,C1=CC(=C(C=C1/C=C/C(=O)O[C@@H](C(=O)O)[C@@H](OC(=O)/C=C/C2=CC(=C(C=C2)O)O)C(=O)O)O)O
2196265,1671197,118574.0,Inactive,AAV41877,COC1=C(C=C(C=C1)Cl)C(=O)OC
2196267,1671197,338733.0,Active,AAV41877,CC(C)CCCCCCC1=CC=C(C=C1)O
2196269,1671197,3032854.0,Inactive,AAV41877,CCCCOC(CC)O
2196271,1671197,23677844.0,Active,AAV41877,CC1=CC(=C(C=C1)N/N=C/2\C(=O)C=C/C(=N\NC3=CC=C(C=C3)S(=O)(=O)[O-])/C2=O)C.[Na+]
2196277,1671197,41385.0,Active,AAV41877,CC1=C(S(=O)(=O)CCS1(=O)=O)C
2196279,1671197,66666.0,Inactive,AAV41877,C=CC1=CC=CC=C1C=C
2196281,1671197,9588170.0,Inactive,AAV41877,CO/N=C/1\CN(CC1CN)C2=C(C=C3C(=O)C(=CN(C3=N2)C4CC4)C(=O)O)F.CS(=O)(=O)O
2196283,1671197,36339.0,Active,AAV41877,CCOC(=O)C1=CN=CN1C(C)C2=CC=CC=C2
2196285,1671197,54900.0,Active,AAV41877,C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)O)C5=CC=C(C=C5)O.Cl
2196287,1671197,21988023.0,Inactive,AAV41877,CCCC[N+]1=CC=CC=C1C.[Cl-]
2196289,1671197,196.0,Inactive,AAV41877,C(CCC(=O)O)CC(=O)O
2196291,1671197,679.0,Inactive,AAV41877,CS(=O)C
2196293,1671197,1548887.0,Active,AAV41877,CC\1=C(C2=C(/C1=C\C3=CC=C(C=C3)S(=O)C)C=CC(=C2)F)CC(=O)O
2196295,1671197,22833503.0,Active,AAV41877,CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4\CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@H]([C@@H](O7)C)[NH2+]C)OC)OC)\C)C.C1=CC=C(C=C1)C(=O)[O-]
2196297,1671197,9910393.0,Active,AAV41877,CC(C)(C1=COC(=C1)S(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2CCC4)O
2196299,1671197,5283349.0,Active,AAV41877,CCCCC/C=C/C=C/C=O
2196301,1671197,3033832.0,Active,AAV41877,CCN(CC)CCOC1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\Cl)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
2196303,1671197,62467.0,Inactive,AAV41877,CCO[Si](C)(CCCOCC1CO1)OCC
2196305,1671197,5368821.0,Active,AAV41877,C/C=C(\C)/C=C/C=C(C)C
2196309,1671197,40854.0,Active,AAV41877,COC(=O)NC1=NC2=C(N1)C=C(C=C2)S(=O)C3=CC=CC=C3
2196311,1671197,517414.0,Inactive,AAV41877,CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl.O.O.O.[Na+]
2196313,1671197,9562059.0,Active,AAV41877,CC(=O)O.CC(=O)O.C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl
2196315,1671197,38282.0,Active,AAV41877,C1CNCCC1(C2=CC=C(C=C2)Cl)O
2196317,1671197,53735.0,Active,AAV41877,CC1=C(C(=CC=C1)C)N(C(=O)COC)N2CCOC2=O
2196319,1671197,23674215.0,Inactive,AAV41877,CC(=O)CC(=O)NC1=CC=C(C=C1)S(=O)(=O)[O-].[K+]
2196321,1671197,176.0,Inactive,AAV41877,CC(=O)O
2196323,1671197,660.0,Active,AAV41877,C1CC(=O)OC2=CC=CC=C21
2196325,1671197,1549008.0,Active,AAV41877,CC(C)(C)C#C/C=C/CN(C)CC1=CC=CC2=CC=CC=C21
2196333,1671197,3025067.0,Inactive,AAV41877,C1CN(CCN1)C2=C3C(=CC=C2)OCCO3.Cl
2196335,1671197,23676704.0,Inactive,AAV41877,C1=CC(=C(C=C1Cl)Cl)OCC(=O)[O-].[Na+]
2196339,1671197,998.0,Active,AAV41877,C1=CC=C(C=C1)CC=O
2196341,1671197,37517.0,Active,AAV41877,CC(C)NC(=O)N1CC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl
2196343,1671197,66569.0,Inactive,AAV41877,CC1=COC2=CC=CC=C2C1=O
2196347,1671197,34526.0,Active,AAV41877,CCN(CC)C1=NC(=CC(=N1)OP(=S)(OC)OC)C
2196349,1671197,50897.0,Active,AAV41877,CCCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC=C(C=C2)C(F)(F)F
2196351,1671197,5978897.0,Active,AAV41877,C/C=C/C=C/COC(=O)C(C)C
2196353,1671197,72.0,Active,AAV41877,C1=CC(=C(C=C1C(=O)O)O)O
2196355,1671197,454.0,Inactive,AAV41877,CCCCCCCC=O
2196357,1671197,707035.0,Active,AAV41877,C1=CC=C2C(=C1)NC(=S)N2
2196359,1671197,23079882.0,Inactive,AAV41877,CCCC[N+]1=CC=CC(=C1)C.C(F)(F)(F)S(=O)(=O)[O-]
2196361,1671197,9865233.0,Active,AAV41877,CC(C)(C1=NC2=NC=C(N2N=C1)C3=CC(=C(C=C3)F)C4=C(C=CC=C4F)C#N)O
2196363,1671197,5284557.0,Active,AAV41877,C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC[C@]4(C#C)O)C
2196365,1671197,3085168.0,Inactive,AAV41877,CC1=NC=C(C(=N1)N)CN(C=O)/C(=C(\CCO)/SS/C(=C(/C)\N(CC2=CN=C(N=C2N)C)C=O)/CCO)/C
2196371,1671197,991.0,Active,AAV41877,CCOP(=S)(OCC)OC1=CC=C(C=C1)[N+](=O)[O-]
2196373,1671197,39147.0,Inactive,AAV41877,CC(C)(C)NCC(COC1=CC=CC2=C1C[C@@H]([C@@H](C2)O)O)O
2196375,1671197,5371728.0,Active,AAV41877,CCCCCCCC/C=C\CCCCCCCC(=O)N(CCO)CCO
2196377,1671197,11355992.0,Inactive,AAV41877,CCCOCCOCCOCCO
2196379,1671197,36143.0,Inactive,AAV41877,C1=CC(=CC=C1[C@@H](C(=O)O)N)O
2196381,1671197,50312.0,Inactive,AAV41877,C1=C(C(=NC(=O)N1[C@H]2[C@H]([C@@H]([C@H](O2)CO)O)F)N)I
2196385,1671197,9570290.0,Active,AAV41877,CCOP(=S)(OCC)O/N=C(\C#N)/C1=CC=CC=C1
2196389,1671197,208925.0,Inactive,AAV41877,CCCCCC[C@@H](CCC)C(=O)O
2196391,1671197,5271566.0,Active,AAV41877,CCOC(=O)/C=C\C(=O)OCC
2196393,1671197,9861124.0,Active,AAV41877,CNCC1=C(C=CC(=C1)F)OC2=CC(=C(C=C2)Cl)Cl
2196395,1671197,5284376.0,Active,AAV41877,CC(C)N(C(C)C)C(=O)SC/C(=C/Cl)/Cl
2196397,1671197,3005572.0,Active,AAV41877,CN(C)CCOC1=CC=C(C=C1)/C(=C(/CCCl)\C2=CC=CC=C2)/C3=CC=CC=C3.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
2196401,1671197,5354035.0,Inactive,AAV41877,CCCCC(/C=C(\C)/C=C/C=C/C(=O)N1CCCC1=O)O
2196403,1671197,1054.0,Inactive,AAV41877,CC1=NC=C(C(=C1O)CO)CO
2196405,1671197,36663.0,Inactive,AAV41877,CN1CCC(C(C1)C(=O)C2=CC=C(C=C2)F)(C3=CC=C(C=C3)F)O
2196407,1671197,67688.0,Active,AAV41877,C1=CC(=C(C=C1[N+](=O)[O-])Cl)F
2196409,1671197,4379756.0,Inactive,AAV41877,C1=CC(=CC=C1O)S(=O)(=O)[O-].[Na+]
2196411,1671197,32739.0,Active,AAV41877,CCOP(=S)(OCC)SCCl
2196415,1671197,5889665.0,Active,AAV41877,COC1=C(C=C(C=C1)/C(=C/C(=O)N2CCOCC2)/C3=CC=C(C=C3)Cl)OC
2196417,1671197,9571016.0,Active,AAV41877,C1=CC(=CC=C1N/C(=N/C(=NCCCCCCN=C(/N=C(/NC2=CC=C(C=C2)Cl)\N)N)N)/N)Cl.Cl.Cl
2196419,1671197,650.0,Inactive,AAV41877,CC(=O)C(=O)C
2196421,1671197,198212.0,Inactive,AAV41877,CC(=O)C1=CC(=C(C=C1)O)C(=O)N
2196423,1671197,444005.0,Active,AAV41877,CN(C)CC(COC1=CC=CC=C1CCC2=CC(=CC=C2)OC)OC(=O)CCC(=O)O.Cl
2196427,1671197,5284627.0,Active,AAV41877,CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C
2196429,1671197,67678.0,Inactive,AAV41877,C([C@@H](C(=O)O)N)SSC[C@@H](C(=O)O)N
2196431,1671197,62351.0,Active,AAV41877,CSCCCN=C=S
2196435,1671197,985.0,Inactive,AAV41877,CCCCCCCCCCCCCCCC(=O)O
2196437,1671197,37517.0,Active,AAV41877,CC(C)NC(=O)N1CC(=O)N(C1=O)C2=CC(=CC(=C2)Cl)Cl
2196439,1671197,5371084.0,Active,AAV41877,CCC(=O)/C=C/C1C(=CCCC1(C)C)C
2196441,1671197,6420033.0,Inactive,AAV41877,CNCCC1=CC=CC=N1.CS(=O)(=O)O
2196443,1671197,32065.0,Inactive,AAV41877,CC1CCC2=NC=CN=C12