RubyGems - lazar - Versions diffs - 0.0.5 → 0.0.6 - Mend

lazar 0.0.5 → 0.0.6

Files changed (64) hide show

checksums.yaml +4 -4
data/.gitignore +10 -0
data/.yardopts +4 -0
data/Gemfile +2 -0
data/LICENSE +674 -0
data/README.md +44 -0
data/Rakefile +1 -0
data/VERSION +1 -0
data/ext/lazar/Makefile +5 -0
data/java/CdkDescriptorInfo.class +0 -0
data/java/CdkDescriptorInfo.java +22 -0
data/java/CdkDescriptors.class +0 -0
data/java/CdkDescriptors.java +141 -0
data/java/Jmol.jar +0 -0
data/java/JoelibDescriptorInfo.class +0 -0
data/java/JoelibDescriptorInfo.java +15 -0
data/java/JoelibDescriptors.class +0 -0
data/java/JoelibDescriptors.java +60 -0
data/java/Rakefile +15 -0
data/java/cdk-1.4.19.jar +0 -0
data/java/joelib2.jar +0 -0
data/java/log4j.jar +0 -0
data/lazar.gemspec +28 -0
data/lib/SMARTS_InteLigand.txt +983 -0
data/mongoid.yml +8 -0
data/test/data/CPDBAS_v5c_1547_29Apr2008part.sdf +13553 -0
data/test/data/CPDBAS_v5d_cleaned/CPDBAS_v5d_20Nov2008_mouse_TD50.csv +436 -0
data/test/data/CPDBAS_v5d_cleaned/CPDBAS_v5d_20Nov2008_rat_TD50.csv +568 -0
data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_Hamster.csv +87 -0
data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_Mouse.csv +978 -0
data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_MultiCellCall.csv +1120 -0
data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_MultiCellCall_no_duplicates.csv +1113 -0
data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_Mutagenicity.csv +850 -0
data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_Mutagenicity_no_duplicates.csv +829 -0
data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_Rat.csv +1198 -0
data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_SingleCellCall.csv +1505 -0
data/test/data/EPAFHM.csv +618 -0
data/test/data/EPAFHM.medi.csv +100 -0
data/test/data/EPAFHM.mini.csv +22 -0
data/test/data/EPA_v4b_Fathead_Minnow_Acute_Toxicity_LC50_mmol.csv +581 -0
data/test/data/FDA_v3b_Maximum_Recommended_Daily_Dose_mmol.csv +1217 -0
data/test/data/ISSCAN-multi.csv +59 -0
data/test/data/LOAEL_log_mg_corrected_smiles.csv +568 -0
data/test/data/LOAEL_log_mmol_corrected_smiles.csv +568 -0
data/test/data/acetaldehyde.sdf +14 -0
data/test/data/boiling_points.ext.sdf +11460 -0
data/test/data/cpdb_100.csv +101 -0
data/test/data/hamster_carcinogenicity.csv +86 -0
data/test/data/hamster_carcinogenicity.mini.bool_float.csv +11 -0
data/test/data/hamster_carcinogenicity.mini.bool_int.csv +11 -0
data/test/data/hamster_carcinogenicity.mini.bool_string.csv +11 -0
data/test/data/hamster_carcinogenicity.mini.csv +11 -0
data/test/data/hamster_carcinogenicity.ntriples +618 -0
data/test/data/hamster_carcinogenicity.sdf +2805 -0
data/test/data/hamster_carcinogenicity.xls +0 -0
data/test/data/hamster_carcinogenicity.yaml +352 -0
data/test/data/hamster_carcinogenicity_with_errors.csv +88 -0
data/test/data/kazius.csv +4070 -0
data/test/data/multi_cell_call.csv +1067 -0
data/test/data/multi_cell_call_no_dup.csv +1057 -0
data/test/data/multicolumn.csv +8 -0
data/test/data/rat_feature_dataset.csv +1179 -0
data/test/data/wrong_dataset.csv +8 -0
metadata +108 -8

data/test/data/CPDBAS_v5d_cleaned/DSSTox_Carcinogenic_Potency_DBS_MultiCellCall.csv ADDED Viewed

@@ -0,0 +1,1120 @@
+STRUCTURE_SMILES,ActivityOutcome_CPDBAS_MultiCellCall
+NN,active
+C(C1=CC=CC=C1)(C2CCCCN2)C(OC)=O.[H]Cl,active
+O=S(C1=NC2=C(C=CC(=C2)OC)N1)CC3=C(C(=C(C=N3)C)OC)C,active
+N(NCCCC)CCCC.Cl.Cl,active
+N#[N+]C1=CC=CC=C1.O=S([O-])(O)=O,active
+O=NN(CC=C1)CC1,active
+N/C1=N/C(=O)N(/C=N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O,active
+CC(=C)C=C,active
+NNC1=CC=CC=C1.[H]Cl,active
+N(N)(CCCC)C=O,active
+N(NCC=C)CC=C.[H]Cl.[H]Cl,active
+N(NC)C.[H]Cl.[H]Cl,active
+O=C(C(C)=C4N)C2=C(C4=O)[C@](COC(N)=O)([H])[C@@](N2C3)(OC)[C@@]1([H])N[C@@]31[H],active
+N1(=C2C(=CC(=C1)C3=CC=CC=C3)N(C(=N2)N)C).[H]Cl,active
+N1(C2=CC=CC=C2)C(C(N(CS(=O)(=O)[O-])C)=C(N1C)C)=O.[Na+],active
+[O-][N+](C1=CC=C(C2=CSC(NC(C)=O)=N2)O1)=O,active
+N1=CC=CC=C1,active
+[H][C@]12C3=CCN1CC[C@H]2OC(/C(CC([C@@](CO)(O)C(OC3)=O)=C)=C\C)=O,active
+N1=C(N=C(N(CO)CO)N=C1N(CO)CO)N(CO)CO,active
+N=C(N(CC)N=O)N[N+]([O-])=O,active
+O=[N+](C1=CC(=C(C=C1)C)N)[O-],active
+N#CN(CC)N=O,active
+NNC1=NC(C2=CC=C([N+]([O-])=O)C=C2)=CS1,active
+N=C(N)NC1=NC(CSCCNC2=NSN=C2N)=CS1,active
+N=C(N(N=O)C)N[N+](=O)[O-],active
+N(C1C=CC(=CC=1)N=O)C2=CC=CC=C2,active
+N(C1=CC=CC=C1)NC2=CC=CC=C2,active
+N(C(=O)N)(N=O)CC(=O)O,active
+N(CC(C)O)(CC=C)N=O,active
+C(NN)(N)=O.Cl,active
+S=C([S-])N(C)C.[S-]C(N(C)C)=S.[Zn+2],active
+NC1=CC=C(C2=CC=C(N)C=C2)C=C1,active
+O=C1N(CCC1)C,active
+F/C(F)=C(\F)F,active
+CCCCOCCO,active
+FCCl,active
+FC(F)(F)CNC(=N)Nc1ccn(CCCCC(N)=O)n1,active
+N(CCN(C)C)(C)N=O,active
+N(CCCCO)(CCCC)N=O,active
+N(CCCCCCCCCCCCCC)(C)N=O,active
+N(N)(CC)C=O,active
+N(N(CCCO)C)=O,active
+C1(=CC=C(Cl)C=C1)N.[H]Cl,active
+N(CC(CO)O)(CC(O)C)N=O,active
+N(CC(CO)O)(CC(C)=O)N=O,active
+N(CC(CO)O)(C)N=O,active
+O=[N+](C([N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])[O-],active
+N(CCCC(F)(F)F)(CCCC(F)(F)F)N=O,active
+N(CC=C)(CCO)N=O,active
+[O-]\[N+](CC)=N/C,active
+NC1=CC=C(C=C1)C2=CC=CC=C2,active
+NC1=CC=C(C=C1)C2=CC=C(C=C2)F,active
+NC1=CC=CC(C)=C1.[H]Cl,active
+NC1=CC=C(C2=CC=C(N)C(OC)=C2)C=C1OC.Cl.Cl,active
+NC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl,active
+NC1=CC(S(=O)([O-])=O)=CC2=C1C(O[Cu]OC4=C(C=CC(C5=CC(O[Cu]OC7=C(C(S(=O)([O-])=O)=CC8=C7C(N)=CC(S(=O)([O-])=O)=C8)\N=N6)=C/6C=C5)=C4)\N=N3)=C/3C(S(=O)([O-])=O)=C2.[Na+].[Na+].[Na+].[Na+],active
+NC1=CC(=CC=C1C)Cl,active
+NC1=C5C(C=C(S(=O)([O-])=O)C(/N=N/C6=CC=CC=C6)=C5O)=CC(S(=O)([O-])=O)=C1/N=N/C2=CC=C(C3=CC=C(/N=N/C4=C(N)C=C(N)C=C4)C=C3)C=C2.[Na+].[Na+],active
+BrC1=C(OC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)C(Br)=C(Br)C(Br)=C1Br,active
+NC1=CC=C(/N=N/C2=CC=CC=C2)C(N)=N1.Cl,active
+NC1=CC=C(/C=C/C2=CC(OC)=CC=C2OC)C=C1,active
+C1(C2=CC(=C(N)C=C2)C)(=CC(=C(N)C=C1)C).[H]Cl.[H]Cl,active
+NC1C=CC2=C(N=1)NC3=CC=CC=C23,active
+NC1=NN=C(C2=CC=C([N+]([O-])=O)O2)S1,active
+NC3=CC1=C(C=C3)OC2=C1C=CC=C2,active
+NC2=NC(C3=CC=CC=C3)=C(CCOCC)C1=NC=NN12,active
+O=NN(C)CCOS(C1=CC=C(C)C=C1)(=O)=O,active
+[O-][N+](C2=CC=C(O2)C1=CSC(NN(C)C)=N1)=O,active
+NC1=CC2=C(C=CC=C2)C=C1,active
+NC1=CC=CC=C1[H]Cl,active
+O=S(\N=C(NCCSCC2=CC=C(CNC)O2)/NCC(C1=CC=C(O)C=C1)O)(C)=O,active
+NC1=NC(C3=C(N=CC=C3)C=C2)=C2N1C,active
+NC1=NC(C2=CC=C([N+]([O-])=O)O2)=CS1,active
+NC(=O)NNC1=CC=CC=C1,active
+O=[N+](C1=CC=CC2=CC=CN=C12)[O-],active
+NC(=O)N(CC=C)N=O,active
+NC(N3C)=NC2=C3C(C)=CC1=NC=CC=C12,active
+C(/C1=CC=C(C=C1)N(CC2=CC(=CC=C2)S(=O)(=O)[O-])CC)(=C3\C=C/C(C=C3)=[N+](/CC4=CC(=CC=C4)S(=O)(=O)[O-])CC)C5=CC=C(C=C5)N(C)C.[Na+],active
+NC(=O)OC=C,active
+N1C2=C(C3=C1C=CC=C3)C(=NC(=C2C)N)C.CC(=O)O,active
+N1(C(=CN=C1C)[N+](=O)[O-])CCO,active
+O(C)c1cc(CC=C)ccc1OC,active
+CCBr,active
+NC(=O)C=C,active
+N/1C(N(\C=C\1)C)=S,active
+CC(C)(O)CC[C@@H](O)[C@@H](C)[C@H]2CC[C@@]1(O)C/3=C/C(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]\3CC[C@@]12C,active
+NC1=C(C=CC(=C1)N)Cl,active
+NC1=C(C=CC(=C1)N)C,active
+NC1=C2C(=NC(=N1)N)N=C(C(=N2)C3=CC=CC=C3)N,active
+NC1=C2C(=CC=C1)C(=CC=C2)N,active
+NC1=C(C=CC=C1)C(=O)OC/C=C/C2=CC=CC=C2,active
+NC1=C(C=C(C=C1Cl)Cl)Cl,active
+O=P(OCC(CBr)Br)([O-])OCC(CBr)Br.O=P(OCC(CBr)Br)([O-])OCC(CBr)Br.[Mg+2],active
+NC1(=C(C=CC(=C1)N)C).[H]Cl.[H]Cl,active
+NC1=C(C=CC(=C1)Cl)N,active
+Cl\C=C\CCl,active
+NC1=C(C=C(C=C1Cl)N)Cl,active
+ClC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)Cl)N,active
+ClC1=C(C=CC(=C1)C2=CC(=C(C=C2)N)Cl)N,active
+O=P(OCC(CBr)Br)(OCC(CBr)Br)OCC(CBr)Br,active
+ClC1=C(C=CC=C1)[N+](=O)[O-],active
+[H][C@]12N(CC=C2COC([C@@](O)(C(O)(C)C)[C@H](C)OC)=O)CC[C@@H]1OC(\C(C)=C/C)=O,active
+ClC1=C(C=CC(=C1)Cl)OC2=CC=C(C=C2)[N+](=O)[O-],active
+ClC1/C=C\C2C1C3(Cl)C(/Cl)=C(/Cl)C2(Cl)C3(Cl)Cl,active
+OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,active
+ClC#CCl,active
+ClC1=C(C(=C(C(=C1OC)Cl)Cl)Cl)Cl,active
+CCN(CC)N=O,active
+OCC1CO1,active
+ClC1C(C(C(Cl)C(C1Cl)Cl)Cl)Cl,active
+O=C(N(CCCCC)N=O)OCC,active
+ClC1=NC(SCC(NCCO)=O)=NC(NC2=CC=CC(C)=C2C)=C1,active
+C1(=C(C=CC(=C1)N(CCO)CCO)NC)[N+]([O-])=O,active
+ClC2(Cl)C1(Cl)C(\Cl)=C(\Cl)C2(Cl)C(C1C(O)=O)C(O)=O,active
+ClC2(C(Cl)3Cl)C(Cl)=C(Cl)C3(Cl)C1CC(Cl)C(Cl)C12,active
+ClC1=CC=C(C=C1)Cl,active
+ClC1=C(Cl)C(Cl)=CC2=C1OC3=C(C=C(Cl)C(Cl)=C3Cl)O2,active
+O=NN(CCCCCC1)CCCCCC1,active
+C1(C(=CC=C(C=1)C)C)N.[H]Cl,active
+ClC1=CC2=C(C=C1Cl)OC3=C(C=C(C(=C3)Cl)Cl)O2,active
+ClC1=CC=C2C(=C1)C(=NC(O)C(=O)N2)C3=CC=CC=C3,active
+BrC(Br)Br,active
+ClC(=C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)Cl,active
+NC1=C(C=C2C3=C(C=CC=C3)OC2=C1)OC,active
+ClC(C(=O)O)(Cl)Cl,active
+ClC(=CCl)Cl,active
+ClC(=CCl)Cl,active
+C[C@@H](CC)C(=O)O[C@H]2C[C@@H](C)\C=C3\C=C/[C@H](C)[C@H](CC[C@@H]1C[C@@H](O)CC(=O)O1)[C@@H]23,active
+C1CCCO1,active
+O=[N+](C1=CC=C(C=C1)Cl)[O-],active
+Cl\C(Cl)=C(Cl)/C(Cl)=C(Cl)\Cl,active
+Cl[C@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl,active
+Cl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl,active
+ClC(Cl)(Cl)Cl,active
+CC1=C(C=CC=C1)/N=N/C2=CC(=C(C=C2)N)C,active
+ClC(CC(Cl)C(Cl)CCC(Cl)CC)C(Cl)C(Cl)CCl,active
+ClC/C=C/CCl,active
+ClC(Cl)C(F)(F)F,active
+ClC(Cl)Br,active
+ClC(C(Cl)(Cl)Cl)(Cl)Cl,active
+NC(=O)OCC,active
+ClC(C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)(Cl)Cl,active
+CCCC1=CC2=C(C=C1)OCO2,active
+C1=CC=CC=C1,active
+ClC(C(Cl)Cl)(Cl)Cl,active
+O=NN1CCCCCCC1,active
+CN(N=O)C1=CC=C(C=C1)C=CC2=C3C=CC=CC3=NC=C2,active
+CN(N=O)C(=O)NCCC[C@H](N)C(O)=O,active
+C12=C3C(C4=C(C(O3)=O)C(=O)CC4)=C(C=C1OC5C2C=CO5)OC,active
+CN1C2=C(C3=NC(=CN=C3C=C2)C)N=C1N,active
+CN1C2=C(C(OC)=CC3=C2C=CC(O3)(C)C)C(C4=C1C=CC=C4)=O,active
+CN(CCCCCCCCCCC)N=O,active
+CN(CC)N=O,active
+CN(CC(C)=O)N=O,active
+CN(N=O)C,active
+C1N(C(OC1)=O)N=O,active
+CN(CCO)N=O,active
+COC2=CC=C(C=C2)CN(CCN(C)C)C1=NC=CC=C1.OC(\C=C/C(O)=O)=O,active
+COC1C=C(C=CC=1C2NC3=CN=CC=C3N=2)S(C)=O,active
+O=C1NC(=O)NC=C1,active
+C=CC1=CC=CC=C1,active
+CS(=O)(=O)OC,active
+O=C1C(=CNC(=O)N1)F,active
+CNN,active
+CN1N(C2=CC=CC=C2)C(=O)C=C1C,active
+CN1CC[C@H]2OC(=O)C3(C[C@@H](C)[C@@](C)(O)C(=O)OC\C(=C\C1)C2=O)O[C@@H]3C,active
+COC1=C2C(=CC3=C1OC=C3)C=CC(=O)O2,active
+COC1=C(O)C=CC(=C1)C=NNC(=O)C2=CC=NC=C2,active
+COC1=C(C=CC=C1)[N+](=O)[O-],active
+ClCC1=CC=CC=C1,active
+ClCC(Cl)CCl,active
+Cn3nc(CO)nc3NCCCOc2cc(CN1CCCCC1)ccc2,active
+ClCCN(C(COC2=CC=CC=C2)C)CC1=CC=CC=C1.Cl,active
+ClCCl,active
+N(CC(CO)O)(CC=C)N=O,active
+ClC2=C(C=CC=C2Cl)C1=C(Cl)C=C(Cl)C=C1,active
+ClC2=C(C=CC(Cl)=C2Cl)C1=C(Cl)C(Cl)=CC=C1,active
+O=C(N(C)C)Cl,active
+ClC54C(=O)C1(Cl)C2(Cl)C5(Cl)C3(Cl)C4(Cl)C1(Cl)C2(Cl)C3(Cl)Cl,active
+ClC53C1(Cl)C4(Cl)C2(Cl)C1(Cl)C(Cl)(Cl)C5(Cl)C2(Cl)C3(Cl)C4(Cl)Cl,active
+O=C(NCO)C=C,active
+CN(C)CNc2nnc(/C=C/c1ccc(o1)[N+]([O-])=O)o2,active
+CN(C)CCN(CC2=CC=CS2)C1=NC=CC=C1.Cl,active
+NC(=O)N(CC)N=O,active
+CN(C1=CC=CC=C1)N=O,active
+ClC(C(Cl)Cl)Cl,active
+CN(C)N,active
+ClCCN[P]1(=O)OCCCN1CCCl,active
+ClCCN(CCCl)C1=CC=C(CC(OC3=CC=C(C4=C3)[C@]2([H])[C@](CC4)([H])[C@@](CC[C@@H]5OC(CC6=CC=C(N(CCCl)CCCl)C=C6)=O)([H])[C@]5(C)CC2)=O)C=C1,active
+ClCCN(CCCl)[P]1(=O)NCCCO1,active
+CN(C)C2=CC=C(C=C2)CC1=CC=C(N(C)C)C=C1,active
+CN(C(=O)N)N=O,active
+ClCOCCl,active
+SC1=NC2=C(C=CC=C2)S1,active
+O=NN1CCCCC1,active
+O=[N+](C1=CC2=C(C=C1)NC=N2)[O-],active
+O=NN1CCC(=O)NC1=O,active
+O=NN1CCOCC1,active
+CN[N+](=O)[O-],active
+O=NN1CCCCCC1,active
+O=C4C=C2[C@@](CC4)([H])[C@]1([H])[C@](CC2)([H])[C@@](CC3)([H])[C@@](CC1)(C)[C@]3(OC(C)=O)C#C,active
+O=NN(CCCC)CCCC,active
+O=NN(CCC)CCC,active
+O=NN(CCO)CCO,active
+S=C(N1CCOCC1)SN1CCOCC1,active
+O=NN(CCN(C)C)C(=O)[NH2+]CC.[O-]N=O,active
+Cl.CCCCNN,active
+NC1=NC(C3=C(N=CC=C3)C=C2)=C2N1C.[H]Cl,active
+O=P(OCCCl)(OCCCl)OCCCl,active
+O=S(=O)(C1=CC=C(C=C1)N)C2=CC=C(C=C2)N,active
+OC(C1=CC=C(C=C1)Cl)(C2=CC=C(C=C2)Cl)C(=O)OCC,active
+ClC(Cl)Cl,active
+O=P(OC(CCl)CCl)(OC(CCl)CCl)OC(CCl)CCl,active
+O=C2C1=C(OC)C=C(OC)C(Cl)=C1O[C@]32C(OC)=CC(C[C@@](C)3[H])=O,active
+O=NN1CCSCC1,active
+O=NN1CCN(N=O)CC1,active
+ClC(CCl)(Cl)Cl,active
+O=P(OC=C(Cl)Cl)(OC)OC,active
+O=P(H)(OC)OC,active
+O=C1OC2=C(C=CC=C2)CC1,active
+O=C1OC2=C(C=CC=C2)C=C1,active
+O=CC1=CC=CO1,active
+OC1=C(C=CC(=C1)/C=C/C(=O)O)O,active
+O=C3C[C@@H]4CC[C@@H]1[C@H](CC[C@]2(C)[C@@](C)(O)CC[C@@H]12)[C@@]4(C)C\C3=C\O,active
+O=C1N2CC3=CC=CC=C3C(=O)N2CC4C=CC=CC1=4,active
+O=C1N(C2=CC=CC=C2)N(C3=CC=CC=C3)C(=O)C1CCCC,active
+O[C@@H]3C\C4=C\C[C@@H]2[C@H](CC[C@]1(C)C(=O)CC[C@H]12)[C@@]4(C)CC3,active
+O=C1OC(O)C(C(Cl)Cl)=C1Cl,active
+[K+].[I-],active
+O=C1NC(=S)NC=C1,active
+NC2=CC=C(C=C2N)C1=CC=C(N)C(N)=C1.Cl.Cl.Cl.Cl,active
+O=NN(C)CCCCCCCCCCCC,active
+O=NN(C)C1=NC=NC2=C1N=CN2[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O,active
+O=NN(CC(C)O)CC(C)O,active
+O=NN(CC(=O)C)CC(=O)C,active
+O=NN(C1=CC=CC=C1)C2=CC=CC=C2,active
+C=C(Cl)C=C,active
+O=CC1=CC=CC=C1,active
+C1=C(CO)OC=C1,active
+C1(N=C(SC=1)NN)C2=CC=C(C=C2)N,active
+O=N[O-].[Na+],active
+O=CNNC=O,active
+[O-][N+](C2=CC=C(O2)C1=CSC=N1)=O,active
+OCC(CO)(CBr)CBr,active
+CC=NN(C)C=O,active
+O=C(OCC)C=C,active
+OCCBr,active
+ClC1=C(C(=C(C(=C1C#N)Cl)Cl)Cl)C#N,active
+OC1=C(C=CC(=C1)C)O,active
+BrC2=C(C=C(Br)C(Br)=C2)C1=C(Br)C=C(Br)C(Br)=C1,active
+OC1=C(C=C(C=C1Cl)Cl)Cl,active
+OC2=CC=C(C=C2)/C(CC)=C(CC)/C1=CC=C(O)C=C1,active
+OC1=CC=C(C=C1C(C)(C)C)OC,active
+OC1=CC(=CC2=C1C(=O)O[C@H](CCCC(=O)CCC/C=C\2)C)O,active
+O=NN(CCN1)CC1,active
+O=C1C2=C(C(=CC=C2C(=O)C3=C1C=CC=C3)C)N,active
+O(CC1(C)C)C1=O,active
+S=P(N1CC1)(N1CC1)N1CC1,active
+ClCOC,active
+S=C(NCC)NCC,active
+CC(=O)NC1=NN=C(S1)C2=CC=C(O2)[N+]([O-])=O,active
+O=C(/C=C(C(C1=CC=C(C=C1)OC)=O)/Br)[O-].[Na+],active
+OCCN(CCO)CCO,active
+P(=O)(OC)(OC)N1CCOCC1,active
+C[N+](=NC)[O-],active
+OS(=O)(=O)O.NN,active
+OC(=O)C1=C(C=CC(=C1)OC2=CC=C(C=C2Cl)C(F)(F)F)[N+](=O)[O-],active
+N(CCCCCCCCCC)(C)N=O,active
+OC(=O)C(C)(C)CCCOc1ccc(OCCCC(C)(C)C(O)=O)c(c1)c2ccccc2,active
+OC(=O)CN(CC(=O)O)CC(=O)O,active
+OC(=O)CCCCCCCCCCN,active
+NC1=CC=C(C=C1)OC2=CC=C(C=C2)N,active
+[NH3+]C2=C(C)C=C(C3=N2)C1=C(N3)C=CC=C1.O=C([O-])C,active
+Br(=O)(=O)[O-].[K+],active
+O(C1=CC=CC=C1)CC2CO2,active
+C1CO1,active
+O1C(=NN=C1C2OC(=CC=2)[N+](=O)[O-])N,active
+NNCCC.[H]Cl,active
+OC1=C(C=C(C=C1)C)/N=N/C2=CC=C(C=C2)NC(=O)C,active
+OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,active
+OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,active
+OC1=C(C=C(C=C1C(C)(C)C)C)C(C)(C)C,active
+OC1=C(C=C(C=C1)CNC(=O)CCCC/C=C/C(C)C)OC,active
+BrCCBr,active
+N=C(C2=CC=C(N(C)C)C=C2)C1=CC=C(N(C)C)C=C1.[H]Cl,active
+CCC1=CC=CC=C1,active
+C1(/N=N/C2=CC=CC=C2)=CC=CC=C1,active
+O=C(CCC(=O)O)NN(C)C,active
+COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=C=O)OC)N=C=O,active
+COC1=CC=C(C=C1)O,active
+S=C(N(CC)CC)SCC(=C)Cl,active
+ClC(C1=CC=CC=C1)(Cl)Cl,active
+O=[N+](OC(CO[N+](=O)[O-])CO[N+](=O)[O-])[O-],active
+N12C3=C(C=CC(=N3)N)N=C1C=CC=C2,active
+NC(C=C(C=C1)N)=C1OC.O=S(O)(O)=O,active
+O=C(C(C)(OC1=CC=C(C=C1)C2=CC=C(C=C2)Cl)C)OC,active
+O=[N+](C1=CC=C2C3=C1C=CC=C3CC2)[O-],active
+O=[N+](C1=CC=C(O1)/C=N/NC(=O)N)[O-],active
+N1C2=C(C3=C1C=CC=C3)C(=NC(=C2)N)C.CC(=O)O,active
+OC1=CC=C2C(=C1/N=N/C3=C(C=C(C=C3)C)[N+](=O)[O-])C=CC=C2,active
+O=NN1CCCC1,active
+O=[N+](C1=CC=C2C3=C4C(=CC=C13)C=CC=C4C=C2)[O-],active
+O=C(C1=CC=CC=C1)NN,active
+O=C(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C,active
+COC1=CC(=C(C=C1)N)C,active
+O=C(C1=CC=NC=C1)NN,active
+O=C(C1=CC=CN=C1)NN,active
+[Se]=S,active
+O=C1C=C(NC(=S)N1)CCC,active
+O=C(C)NCC1=NC(=NO1)C2=CC=C(O2)[N+]([O-])=O,active
+O=C(C)NC3=CC=C(C2=C3)C1=C(C2=O)C=CC=C1,active
+[O-]\[N+](C)=N/CC,active
+O=C(C1=C(C=CC=C1)C(=O)OCC(CCCC)CC)OCC(CCCC)CC,active
+O=C(C[C@@H]([C@@](O)=O)CC(O)=O)O[C@H]([C@@H](C)CCCC)[C@@H](C[C@H](C)C[C@@H](O)CCCC[C@@H](O)C[C@H](O)[C@@H](N)C)OC(C[C@@H]([C@@](O)=O)CC(O)=O)=O,active
+N(CC(=O)[O-])(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].O,active
+N1C=CC=C(C=1)C2N(N=O)CCC2,active
+Cl\C=C\CCl,active
+O[C@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)[C@@H]1OC/N=[N+](C)\[O-],active
+C=CCNN.HCl,active
+[O-][N+](C3=CC=C(O3)C1=CN=C2N1C=CC=C2)=O,active
+N(N1CCCCC1C2=CC=CN=C2)=O,active
+NN(CCCC)CCCC,active
+NN(C=O)CCC,active
+O.O.O.O.[Co+2].O.O.O.[O-]S([O-])(=O)=O,active
+O=S1(=O)CCCO1,active
+NNC1=NC(=CS1)C2=CC=C(O2)[N+]([O-])=O,active
+O=[N+]([O-])C3=CC=C(O3)/C=N/N1C(O[C@@H](CN2CCOCC2)C1)=O.Cl,active
+O=[N+](C1=CC=CC=C1)[O-],active
+C1(CN(N=O)CC(O1)C)C,active
+Cl.CC(=O)O[C@@H](CC)C(C[C@H](C)N(C)C)(c1ccccc1)c2ccccc2,active
+O=[N+](C1=CC(=C(C=C1)OC)N)[O-],active
+OC(=O)C(Cl)Cl,active
+O=C(C4=CC(OC)=C(OC)C(OC)=C4)O[C@@H]1C[C@@]3([H])[C@@](C[C@](N5C3)([H])C2=C(CC5)C(C=C6)=C(C=C6OC)N2)([H])[C@H]([C@](OC)=O)[C@H]1OC,active
+O=C(N(CCO)N=O)NCC,active
+O[C@H]([C@H](O)CBr)[C@H](O)[C@H](O)CBr,active
+ClCC1CO1,active
+C1CN1,active
+BrC(CCl)CBr,active
+O=NN(CCN1N=O)CCC1,active
+O=S(=O)(C1=CC=C(C=C1)N)NC2=NC(=CC(=N2)C)C,active
+O=C1C(C2=CC=CC=C2)(C(=O)NC(=O)N1)CC,active
+O=C1C2=C(C(=CC=C2N)N)C(=O)C3=C(C=CC(=C13)N)N,active
+O=C1C2=C(C(=CC=C2C(=O)C3=C1C=CC=C3)C)[N+](=O)[O-],active
+O=C1C2=C(C(=CC(=C2C(=O)C3=C1C=CC=C3)Br)Br)N,active
+OC(COC(C)(C)C)C,active
+O=C(O[C@H](C)C2)C1=C2C(Cl)=CC(C(N[C@@H](CC3=CC=CC=C3)[C@@](O)=O)=O)=C1O,active
+O=C(O[C@@H]1CC[N+]2([O-])[C@@]([H])1C3=CC2)\C(C[C@@H](C)[C@](O)(CO)C(OC3)=O)=C([H])/C,active
+O=C1C(C(OCC5)=O)=C5C(C(OC)=C4)=C(C2=C4OC3C2C=CO3)O1,active
+O=C1[C@H]3[C@H](C3)[C@@]([C@]4([H])[C@@]([C@@]5([H])[C@]([C@@](CC5)(OC(C)=O)[C@@](C)=O)(C)CC4)([H])C=C2Cl)(C)C2=C1,active
+O=C(OC)C1=CCCN(C)C1.[H]Cl,active
+OC1=CC=C2C(=C1/N=N/C3=CC=CC=C3)C=CC=C2,active
+O=C1C23C4C5C6(C(=O)C7=C(O)C(C)=CC(=C7C(C6=C(C2C5O)O)=O)O)C(C4O)C(=C3C(=O)C8=C1C(O)=C(C)C=C8O)O,active
+O=C1C2=CC(=CC=C2C(=O)C3=C1C=CC=C3)N,active
+O=C1N(C=C)CCC1,active
+O=C1N(C(=O)C2C1CC=CC2)SC(Cl)(Cl)Cl,active
+O=C1N(C(=O)C2=C1C=CC=C2)SC(Cl)(Cl)Cl,active
+O=C1C2=C(C=C3C(=C2OC4=CC=CC(=C14)O)C5C(O3)OC=C5)OC,active
+O=C(N(CCCC)N=O)N,active
+O=C1C2=C(C=C(C=C2O)O)OC(=C1O)C3=CC(=C(C=C3)O)O,active
+O=C1C2=C(C=CC=C2O)C(=O)C3=CC=CC(=C13)O,active
+O=C1C2=C(C=CC=C2C(=O)C3=C1C=CC=C3)O,active
+O=C(CN=C2C3=CC=CC=C3)NC1=C2N(N=C1C)CC,active
+CCN1(C2C(=CC=CC=2)C3=C1C=CC(=C3)N).[H]Cl,active
+O=C(N(CC)N=O)OCC,active
+O=C(N(CC(C)O)N=O)NCCCl,active
+O=C(N(CC)N=O)NCCO,active
+O=C(N(CCCC)N=O)NCCCC,active
+O=C1C2=C(N=C(C=C2)C)N(C=C1C(=O)O)CC,active
+OC1=CC2=C(C=C1)OCO2,active
+O=C(CC(C)C)OCC=C,active
+[O-]\[N+](CC)=N/CC,active
+NC(CCSCC)C(=O)O,active
+O=C(N(C)C)NC1=CC=C(C=C1)Cl,active
+ClC2=C(C=CC(Cl)=C2Cl)C1=C(Cl)C(Cl)=C(Cl)C=C1,active
+O=C(NC2=C1C=C(C3=NNC(CC3)=O)C=C2)C1(C)C,active
+O=C(NC2=C(Cl)C=NC=C2Cl)C1=CC(OC3CCCC3)=C(OC)C=C1,active
+O=C1C=CC(=O)C=C1,active
+CC1=NC=CN1,active
+Cl\C2=C(/Cl)C3(Cl)C1C4CC(C1C2(Cl)C3(Cl)Cl)C5OC45,active
+S=C1NCCN1,active
+O=C(N(CCO)N=O)N,active
+O=C(N(CCCO)N=O)N,active
+O=C(N(CCCCCC)N=O)N,active
+O=C(N)C1=C(N=CN1)/N=N/N(C)C,active
+O=C(N)\C(C2=CC=CO2)=C/C1=CC=C([N+]([O-])=O)O1,active
+O=C(N(CCO)N=O)NCCCl,active
+CC1SC(SC(N1N=O)C)C,active
+[O-][N+](=O)C1=CC=C(O1)C=NN2CCNC2=O,active
+C1=C(C(=CC(=C1N)C)C)C.[H]Cl,active
+C1=C2C(=CC=C1)C=CC=C2,active
+C1=C(C=CC=C1OCC2CO2)OCC3CO3,active
+OC1=C(C=CC=C1)O,active
+C1(NNC(C)=O)=CC=CC=C1,active
+C(C1C=CC=CC=1)(=O)N(N=O)C,active
+O=C=NC1=CC(N=C=O)=CC=C1C,active
+CC(=S)N,active
+C1=COC=C1,active
+C1=CC=CC=C1C(COC(N)=O)COC(N)=O,active
+ClC1(C(C2=CC=C(C=C2)OC(C(=O)O)(C)C)C1)Cl,active
+C1=COC2=C1C=CC=C2,active
+C1=CC=CC(=C1)CCN(C)N=O,active
+C1=CC=C(C=[N+]1[O-])C2CCCN2N=O,active
+N(NC(C)=O)C1=CC=C(C=C1)CO,active
+NC(=O)Cc2c([O-])on[n+]2Cc1ccccc1,active
+C1=CC=C2C(=C1)N=C(N=C2N(CCO)CCO)C3=CC=C(S3)[N+]([O-])=O,active
+C1(N=CNN=1)N,active
+C1(=CC=C(N)C=C1)C.[H]Cl,active
+C1(=CC=C(C=C1)SC2=CC=C(C=C2)N)N,active
+C1(=CC=CC=C1)CCNN.S(O)(O)(=O)=O,active
+C1(=CC=C(NN)C=C1)C(O)=O.[H]Cl,active
+C1(=CC=C(C=C1)O)NC(C)=O,active
+O=[N+](C1=C(C(=CC(=C1)C(F)(F)F)[N+](=O)[O-])N(CCC)CCC)[O-],active
+C1(=C(C=CC=C1)N)N.[H]Cl.[H]Cl,active
+C1(=CC(=NC(=N1)C2=CC=C(O2)[N+]([O-])=O)C)C,active
+C1(=CC(=CC(=C1N)C)C)C.[H]Cl,active
+O=[Mo](=O)=O,active
+[O-][N+](C1=CC(C(OC)=CC=C4)=C4C2=C1C(C([O-])=O)=CC3=C2OCO3)=O.[Na+],active
+O=NN(C(=O)N)CCC,active
+CC(OC)(C)C,active
+C1(C2=CC=CC=C2)(C(NC(=NC1=O)[O-])=O)CC.[Na+],active
+ClC1=NC(=NC(=N1)NC(C)C)NCC,active
+C1(=CC=CN=C1)CCl.[H]Cl,active
+C1(C2=CC=C(C=C2)N)=CC=C(C=C1)N.[H]Cl.[H]Cl,active
+O=C(O[C@@H]5CC([C@@](CC5)(C)[C@]([H])3CC4)=CC[C@@]3([H])[C@@]2([H])[C@@]4(C)[C@]([C@H](C)CCCC(C)C)([H])CC2)CC1=CC=C(N(CCCl)CCCl)C=C1,active
+CC(=O)NC1=CC=C(C=C1)OCC,active
+CC(=O)N(O)C1=CC2=C(C=C1)C3=CC=CC=C3C2,active
+CC(=O)O[C@@H]3C\C4=C\C[C@@H]2[C@H](CC[C@]1(C)C(=O)CC[C@H]12)[C@@]4(C)CC3,active
+CC(=O)NN,active
+CC(=O)N,active
+CC(=C)CCl,active
+N(NC(C)=O)C(C1=CC=NC=C1)=O,active
+OC1=CC=C(C=C1)O,active
+CC(=C)CCl,active
+CC(C)(C)O,active
+CC(C(O)=O)(OC1=CC=C(C=C1)C2CCCC3=C2C=CC=C3)C,active
+ClC(CCl)Cl,active
+CC(C)C(O)(C(C)O)C(=O)OC\C1=C\CN2CC[C@@H](OC(=O)C(\C)=C\C)[C@@H]12,active
+C1(NS(=O)(=O)[O-])CCCCC1.[Na+],active
+[O-][N+](C)=O,active
+N(C(=O)N)(N=O)CC(C)=O,active
+CC(=O)OCC1=CC=CC=C1,active
+CC(=O)OC=C,active
+N(CC(C)=O)(CC=C)N=O,active
+ClCCN(C1=CC=C(C=C1)CCCC(=O)O)CCCl,active
+C12C3=C(C=CC=C3)NC1=CC=CC=2,active
+CC(Cl)CCl,active
+C1C(C2=CC=CC=C2)O1,active
+OC([C@H](CC1=CC=C(N(CCCl)CCCl)C=C1)N)=O,active
+C12C(=CC(=C(C=1O)/N=N/C3=C(C=C(C=C3)C4=CC(=C(C=C4)/N=N/C5=C(C=C6C(=C5O)C(=CC(=C6)S(=O)(=O)[O-])N)S(=O)(=O)[O-])OC)OC)S(=O)(=O)[O-])C=C(C=C2N)S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],active
+C12(C(=CC(=C(C=1/N=N/C3=C(C=C(C=C3)C)C)O)S(=O)(=O)[O-])C=C(C=C2)S(=O)(=O)[O-]).[Na+].[Na+],active
+C12C(OC3=C(N=1)C(=CC=C3C)C(N[C@@H]4C(N[C@@H](C(N5[C@@H](CCC5)C(N(CC(N([C@H](C(O[C@H]4C)=O)C(C)C)C)=O)C)=O)=O)C(C)C)=O)=O)=C(C(C(=C2C(N[C@@H]6C(N[C@@H](C(N7[C@@H](CCC7)C(N(CC(N([C@H](C(O[C@H]6C)=O)C(C)C)C)=O)C)=O)=O)C(C)C)=O)=O)N)=O)C,active
+C12C(C(=O)N(C1=O)SC(C(Cl)Cl)(Cl)Cl)C\C=C/C2,active
+O=NN(CCCCC)CCCCC,active
+C1N(COC1)N=O,active
+C2C(=O)NC(=O)CN2CC(C)N1CC(=O)NC(=O)C1,active
+C2(=O)C(C1=CC=CC=C1)(CC)C(=O)NCN2,active
+CC(O)CN(C)N=O,active
+ClC(C(C)=C2)=CC(S(=O)([O-])=O)=C2/N=N/C1=C3C(C=CC=C3)=CC=C1O.ClC(C(C)=C5)=CC(S(=O)([O-])=O)=C5/N=N/C4=C6C(C=CC=C6)=CC=C4O.[Ba+2],active
+C1C(OC(O1)C(C)I)CO,active
+C1COCCO1,active
+C1=CC=CC=C1C(O)C(N(C)N=O)C,active
+[O-][N+](C1=CC=C(C2=CSC(NC(C(F)(F)F)=O)=N2)O1)=O,active
+CC(C)CC(=O)O[C@H]1C[C@]2(COC(C)=O)[C@@]4(C)[C@H](OC(C)=O)[C@@H](O)[C@@H](O[C@@H]2/C=C1/C)[C@]34CO3,active
+NC1=NC(/C=C/C2=CC=C([N+]([O-])=O)O2)=NO1,active
+[O-][N+](C1=CN=C(NC(NCC)=O)S1)=O,active
+[O-][N+](C(N=C3)=C(SC1=NC=NC2=C1NC=N2)N3C)=O,active
+[O-][N+](=O)C1=CC=C(O1)C2=CSC(=N2)NNC=O,active
+[O-][N+](=O)C1=CC=C(O1)C2=CSC(=N2)NC=O,active
+[O-][N+](=O)N(C)C,active
+C12C3=C(C=CC=C3)CC1=CC(=CC=2)NC(C)=O,active
+ClC(=C(Cl)Cl)Cl,active
+ClC1=CC(=NC(=N1)SCC(=O)O)NC2=CC=CC(=C2C)C,active
+Brc1c(c(Br)c(Br)c(Br)c1Br)c2c(Br)cc(Br)c(Br)c2Br,active
+O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(=O)N(CCCl)N=O,active
+O=S(C1=C(/N=N/C2=CC=C(C3=CC=C(\N=N/C4=C(S(=O)([O-])=O)C=C5C(C(N)=CC(S(=O)([O-])=O)=C5)=C4O)C=C3)C=C2)C(O)=C(C(N)=CC(S(=O)([O-])=O)=C6)C6=C1)([O-])=O.[Na+].[Na+].[Na+].[Na+],active
+C1(=C(C=CC=C1)N)OC.[H]Cl,active
+OC(C=C)C1=CC=C2OCOC2=C1,active
+[O-]C12[C@@H](CC[N+](C)1CC=C2COC([C@](OC(C)=O)(C)[C@@H](C)\C=C3C=C)=O)OC/3=O,active
+[O-]C(C)=O.[O-]C(C)=O.[Pb+2].[OH-].[OH-].[Pb+2].[OH-].[OH-].[Pb+2],active
+O=C1N(CC(=O)N1)/N=C/C2=CC=C(O2)[N+](=O)[O-],active
+N(N)(CC=C)CC=C,active
+[Cl-].[Cd+2].[Cl-],active
+O=C1OC(C2=C1C=CC=C2)(C3=CC=C(C=C3)O)C4=CC=C(C=C4)O,active
+N(CC(F)(F)F)(CC)N=O,active
+O=[N+](C1=CN=C(S1)N)[O-],active
+[Cl-].C/[N+](C)=C1\C=C/C(C=C1)=C(\c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C,active
+C1C(N(C(CN1N=O)C)C)C,active
+ClC(C(C1=CC=C(C=C1)Cl)C2=CC=C(C=C2)Cl)Cl,active
+[C@@H]1(NC(N(N=O)C)=O)[C@H]([C@H](O)[C@H](O[C@@H]1O)CO)O,active
+ClCCCl,active
+O=C(C(F)(F)F)NC1=CC3=C(C2=CC=CC=C2C3)C=C1,active
+[O-][N+](=O)c1ccc2c3ccccc3Cc2c1,active
+[Na+].[O-]C1=C(C=CC=C1)C2=CC=CC=C2,active
+[N+](=O)([O-])c1ccccc1C,active
+Cl[C@@]1(C(C)2C)C(Cl)(Cl)C(Cl)([C@](Cl)(C2=C)C1Cl)Cl,active
+[K+].C1(=CC=C2C(=N1)N(C=C(C2=O)C([O-])=O)C)/C=C/C3=CC=C(O3)[N+]([O-])=O,active
+[N+](=N/CCC)(/CCC)[O-],active
+[N+].C1(N(N=O)[O-])=CC=CC=C1,active
+NC(=O)OC,active
+C=CC=C,active
+C=CCl,active
+C=CCC1=CC=C2C(=C1)OCO2,active
+C=CC#N,active
+CC(CCl)OC(C)CCl,active
+C\C1=C\N(C(=O)NC1=O)[C@H]2C[C@H](/N=[N+]=[N-])[C@@H](CO)O2,active
+CC1=CC(C)=C(/N=N/C2=C(C(S([O-])(=O)=O)=CC3=C2C=CC(S([O-])(=O)=O)=C3)O)C=C1C.[Na+].[Na+],active
+C=C(Cl)Cl,active
+C1(=C(C=CC(=C1)Cl)N)C.[H]Cl,active
+ClC2(Cl)C1(Cl)C(=C)C(CCl)(CCl)C2(Cl)C(Cl)C1Cl,active
+N(C)[N+].S(=O)(=O)([O-])O,active
+C(C1=CC=C(C=C1)N)(C2=CC=C(C=C2)N)=C3C=CC(C=C3)=N.[H]Cl,active
+C1(=C(C(OCCCCCCC(C)C)=O)C=CC=C1)C(OCCCCCCC(C)C)=O,active
+C=CF,active
+C=CCN(CC=C)N=O,active
+O=C1CCO1,active
+C=O,active
+C\C(C)=C/Cl,active
+N1C2=C(N3C=1/C(=C\C=C/3)C)N=C(C=C2)N,active
+C(C1=CC=C(C=C1)N)C2=CC=C(C=C2)N.[H]Cl.[H]Cl,active
+C(CCCN(N=O)C)(O)C1C=NC=CC=1,active
+C(CC(=O)O)C(=O)O.C(OCCN(C)C)(C)(C1=CC=CC=C1)C2=CC=CC=N2,active
+O=C(C)CN(N=O)CCO,active
+O=C(N(CC(C)=O)N=O)NCCCl,active
+O[C@@H]([C@@H](O)[C@H](O)CBr)[C@@H](O)CBr,active
+C(=C/C=O)\[O-].[Na+],active
+C(/C1=CC=C(C=C1)N(CC2=CC(=CC=C2)S(=O)(=O)[O-])CC)(=C3\C=C/C(C=C3)=[N+](\CC4=CC(=CC=C4)S(=O)(=O)[O-])CC)C5=CC=CC=C5.[Na+],active
+O=C(N(CC)N=O)NCC(=O)C,active
+Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl,active
+O=C(N(CCCCC)N=O)N,active
+C1(NC(CN1N=O)=O)=O,active
+C(O)(=O)[O-].[K+],active
+O=C(C1=CC=CN=C1)CCCN(N=O)C,active
+C(CCl)(F)(F)F,active
+C3=CC=CC(NS(=O)(=O)C2=CC=C(N=NC1=CC=C(O)C(C(O)=O)=C1)C=C2)=N3,active
+CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],active
+CC1=CC(=C(C=C1C)N)C,active
+C=CBr,active
+CC1=C(C=CC(=C1)CC2=CC(=C(C=C2)N)C)N,active
+CC1=C(C=CC=C1)N=O,active
+CC1=CC(C4=CC(C)=C(/N=N/C5=CC=C(OS(=O)(C6=CC=C(C)C=C6)=O)C=C5)C=C4)=CC=C1/N=N/C2=C(O)C=CC3=CC(S(=O)([O-])=O)=CC(S(=O)([O-])=O)=C23.[Na+].[Na+],active
+C1=CC2=CC=CC3=CC=C4C(=C23)C1=C5C(=C4)C=CC=C5,active
+CC1CC(OC(O1)C)OC(=O)C,active
+Cl.Cl.Cl.Cc1ccc(cn1)C\C2=C\N/C(=N\C2=O)NCCSCc3ccc(CN(C)C)o3,active
+CC1=CC=CC(C)=C1,active
+CC(COC1=CC=C(C=C1)C(C)(C)C)OS(=O)OCCCl,active
+CN(N)C=O,active
+CC(OC1=CC=C(C=C1)Cl)(C(=O)OCC)C,active
+CC(CON=O)C,active
+CC(N(C1=CC=CC2=C1CC3=C2C=CC=C3)C(C)=O)=O,active
+CC/C(=C/CC)[N+](=O)[O-],active
+CCO,active
+CC1(CC(=CC(=O)C1)C)C,active
+CC/C(C2=CC=CC=C2)=C(C1=CC=CC=C1)/C(C=C3)=CC=C3OCCN(C)C.OC(C(CC(O)=O)(O)CC(O)=O)=O,active
+CC=O,active
+CCCCCNN.[H]Cl,active
+CCN1(C2C(=CC=CC=2)C3=C1C=CC(=C3)N),active
+O=C(N(CCC1=CC=CC=C1)N=O)N,active
+CCCCOP(=O)(OCCCC)OCCCC,active
+ClC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,active
+CCNN.[H]Cl,active
+N(CC(C)O)(CCO)N=O,active
+O=S(=O)([O-])[O-].[Cd+2],active
+CC1(C(=C(CCC1)C)C=CC(=CC=CC(=CCOC(=O)C)C)C)C,active
+CCOC(=O)N(C)N=O,active
+CC1CO1,active
+CCC(COC(=O)CCCCC(=O)OCC(CCCC)CC)CCCC,active
+NC1=CC(=CC=C1OC)C,active
+CC1=CC=CC=C1,active
+CCC(C)=NO,active
+CCC1CO1,active
+CCCCC/C=N/N(C=O)C,active
+CNNCC1(=CC=C(C=C1)C(=O)NC(C)C).[H]Cl,active
+CCCC/C=N/N(C=O)C,active
+CCCC1=CC2=C(C=C1COCCOCCOCCCC)OCO2,active
+O=CNN,active
+O=C1C(O)=COC(CO)=C1,active
+CC(C/C=N/N(C=O)C)C,active
+CC(C1=C(C(=C(C(=C1[N+](=O)[O-])C)[N+](=O)[O-])C)[N+](=O)[O-])(C)C,active
+C(N)(=O)OC(C#C)(C1C=CC=CC=1)C2C=CC(=CC=2)Cl,active
+CS(=O)(=O)OC1=C(C=C(C=C1C(C)(C)C)[N+]([O-])=O)[N+](=O)[O-],inactive
+CC(C)(C)c1cc(O)ccc1O,inactive
+OC[P+](CO)(CO)CO.[O-]S([O-])(=O)=O.OC[P+](CO)(CO)CO,inactive
+NC1=CC=C(C=C1)/N=N/C2=CC=C(C=C2)N,inactive
+F[B-](F)(F)F.[Na+],inactive
+BrC1=C(OC2=C(Br)C(Br)=C(Br)C(Br)=C2Br)C(Br)=C(Br)C(Br)=C1Br,inactive
+O=NN(C)C2=NC1=CC=C(Cl)C=C1C(C3=CC=CC=C3)=[N+]([O-])C2,inactive
+CCCCCl,inactive
+[Sn+2].[Cl-].[Cl-],inactive
+[Ti+2](C1=CC=CC1)C2(=CC=CC2).[Cl-].[Cl-],inactive
+C(CO)O,inactive
+ClC1=C(C=CC=C1)Cl,inactive
+NC(=S)NC1=CC=CC=C1,inactive
+Br/C(Br)=C/[C@H]3[C@@H](C(=O)O[C@H](C#N)c2cccc(Oc1ccccc1)c2)C3(C)C,inactive
+O=NN(CCC1)C(C1)C(=O)O,inactive
+N(C([S-])=S)(CC)CC.[S-]C(N(CC)CC)=S.[Cd+2],inactive
+O=C2CC3=C(CC2)[C@]1([H])[C@](CC3)([H])[C@@](CC4)([H])[C@]([C@]4(O)C#C)(C)CC1,inactive
+C([S-])#N.[Na+],inactive
+O=CC=C(CCC=C(C)C)C,inactive
+O=CC(\Cl)=C(\Cl)C(O)=O,inactive
+O=C2CC3=C(CC2)[C@]1([H])[C@](CC3)([H])[C@@](CC4)([H])[C@]([C@]4(O)C#C)(C)CC1,inactive
+O=C1C2=C(C=CC=C2)N=NN1CSP(=S)(OC)OC,inactive
+C(/C1=C(C=C(C=C1)O)S(=O)(=O)[O-])(C2=CC=C(C=C2)N(CC3=CC(=CC=C3)S(=O)(=O)[O-])CC)=C4/C=C/C(C=C4)=[N+](\CC5=CC(=CC=C5)S(=O)(=O)[O-])CC.[Na+].[Na+],inactive
+O=C3[C@@]2(C)CC[C@]1([H])[C@](CC[C@H](OS(=O)(O)=O)C4)(C)C4=CC[C@]([H])1[C@@]([H])2CC3,inactive
+OC1=C(C=C(C=C1)CC=C)OC,inactive
+C([N+](C)(C)C)CCl.[Cl-],inactive
+O=NN(/C(=N\C#N)NCCSCC1=C(N=CN1)C)C,inactive
+O=C4[C@@]3(C)CC[C@]2([H])C1=CC=C(OS(=O)([O-])=O)C=C1CC=C2[C@@]([H])3CC4.[Na+],inactive
+CN(C)[C@@H]2/C=C\CC[C@@]2(c1ccccc1)C(=O)OCC.OC(=O)\C=C\C(O)=O,inactive
+O=CCCCC=O,inactive
+C([N+](C)(C)C)CO.[Cl-],inactive
+ClC1=C(OC(C)C(O)=O)C=CC(Cl)=C1,inactive
+O=C(C1=CC(=CC=C1O)/N=N/C2=CC=C(C=C2)C(=O)O)O,inactive
+N1(C2C(SC3=C1C=CC=C3)=CC=CC=2)CC(N(C)C)C.[H]Cl,inactive
+[O-][N+](C1=CC=CC(C2C(C(OC3CN(C(C5=CC=CC=C5)C4=CC=CC=C4)C3)=O)=C(NC(C)=C2C(OC(C)C)=O)N)=C1)=O,inactive
+[Na+].[Na+].S=C(NCCNC(=S)[S-])[S-],inactive
+O=S(=O)([O-])[O-].[V+2]=O,inactive
+ClC(C(C1=C(C=CC=C1)Cl)C2=CC=C(C=C2)Cl)Cl,inactive
+ClC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],inactive
+O=S(=O)([O-])[O-].O.O.O.O.O.O.[Ni+2],inactive
+O[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,inactive
+Cl.N#Cc1ccc(cc1)C3CCCc2cncn23,inactive
+O=S(=O)(C1=CC=C(C=C1)C)NC(=O)NN2CCCCCC2,inactive
+O=S(=O)(C1=CC=C(C=C1)C)NC(=O)NCCCC,inactive
+O=S(=O)(C1=CC=C(C=C1)Cl)OC2=CC=C(C=C2)Cl,inactive
+[O-][N+](OCC(CO[N+]([O-])=O)(CO[N+]([O-])=O)CO[N+]([O-])=O)=O,inactive
+[N+].[O-],inactive
+O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[K+],inactive
+O=S(=O)(C1=CC=C(C=C1)C(=O)C)NC(=O)NC2CCCCC2,inactive
+CC(=O)[O-].[O-]C(=O)C.[Ba+2],inactive
+[Na+].[Na+].OC(=O)[C@]5(C)C[C@H]6/C7=C/C(=O)[C@H]4[C@@](C)(CC[C@@H]3[C@]4(C)CC[C@H](OC2O[C@H](C([O-])=O)[C@@H](O)[C@H](O)[C@H]2O[C@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C([O-])=O)C3(C)C)[C@]7(C)CC[C@@]6(C)CC5,inactive
+C1=C(C(=C(C=C1O)C)N(C)C)C,inactive
+O=C(C3)C(C(O)=CC(O[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]5[C@H](O)[C@H](O)[C@@H](O)[C@H](C)O5)O4)=C2)=C2O[C@@H]3[C@@]1=CC(OC)=C(OC)C=C1,inactive
+O=S(=O)(C1=CC(=C(C=C1Cl)Cl)Cl)C2=CC=C(C=C2)Cl,inactive
+[O-]S(S(=O)[O-])(=O)=O.[K+].[K+],inactive
+O=C1C[C@H](C\C=C1\C)C(C)=C,inactive
+O=NN1CCC[C@H]1[C@@](O)=O,inactive
+[O-]P(=O)=O.[Na+],inactive
+NC1=C(C(=NC(=N1)N)CC)C2=CC=C(C=C2)Cl,inactive
+CCN(CC)C(=O)C1=CC=CC(C)=C1,inactive
+O=P(OC(=C(C(=O)N(CC)CC)Cl)C)(OC)OC,inactive
+C12(=C(C=C(C=C1C=CC(=C2/N=N/C3=CC=CC=C3)O)S(=O)(=O)[O-])S(=O)(=O)[O-]).[Na+].[Na+],inactive
+ClC(C(C1=CC=C(C=C1)CC)C2=CC=C(C=C2)CC)Cl,inactive
+C1(=CC(=C2C(=C1)N=CC=C2)Br)Br,inactive
+NC1=CC=C(C=C1)N,inactive
+[O-][N+]1=CC=CC=C1C=C,inactive
+O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].O=P([O-])([O-])[O-].Cl[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+],inactive
+C(NC)CC(OC1=CC=C(C=C1)C(F)(F)F)C2=CC=CC=C2.[H]Cl,inactive
+O=C1C=CC(=O)NN1,inactive
+S=C(N(C)C)SSC(=S)N(C)C,inactive
+C(N)(N)=O,inactive
+ClC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)C(=C(Cl)Cl)Cl,inactive
+CC(C=NOC(=O)NC)(SC)C,inactive
+NC2=CC=C(C(OC)=C2)\N=N/C1=CC=CC=C1,inactive
+O=C(C)OC/C=C(C)/CC/C=C(C)/C,inactive
+O=C1C2=C(C=CC=C2)C(=O)C(=C1Cl)Cl,inactive
+OC(C(SC(Cl)=C1)=C1S(N2C)(=O)=O)=C2C(NC3=NC=CC=C3)=O,inactive
+C(CCCCCCCC)CCCNC(N)=N.CC(=O)O,inactive
+O=C1C2=C(C=CC=C2)C(=O)C3=C1C=CC=C3,inactive
+O=C1C2=C(C=C(C=C2O)O)O/C(=C\1O)C3=CC(=C(C=C3)O)O.O.O,inactive
+C=CCO,inactive
+OCC1=C(C(=C(C(=C1)/N=N/C2=C3C=CC=CC3=C(C=C2)S(=O)(=O)[O-])O)/N=N/C4=C5C=CC=CC5=C(C=C4)S(=O)(=O)[O-])O.[Na+].[Na+],inactive
+FC(C(OC(F)F)Cl)(F)F,inactive
+C(O)(=O)[O-].[Na+],inactive
+OCCN.O=C(C1=C(C=CC(=C1)Cl)O)NC2=CC=C(C=C2Cl)[N+](=O)[O-],inactive
+O=C(OC1=CC=CC=C1)OC2=CC=CC=C2,inactive
+O=C(OCC2=CC=CC(C3=CC=CC=C3)=C2C)C1C(C)(C)C1/C=C(Cl)/C(F)(F)F,inactive
+O=C(OCC)C4=C(C=CC=C4)C(C(C=C(C)C(NCC)=C3)=C3O1)=C(C=C2C)C1=C/C2=N/CC.Cl,inactive
+C[C@H](C\C=C\C)[C@@H](O)[C@@H]1N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC(=O)[C@H](CC(C)C)N(C)C(=O)CN(C)C(=O)[C@H](CC)NC1=O)C(C)C,inactive
+OC(COC1=CC=CC2=C1C=CC=C2)CNC(C)C.[H]Cl,inactive
+ClC1=C(C=C(C(=C1)Cl)Cl)OC(C(=O)O)C,inactive
+O[C@@H]1[C@@](O[C@@H](O[C@H](CO)[C@@H]2Cl)[C@H](O)[C@H]2O)(CCl)O[C@H](CCl)[C@H]1O,inactive
+COc3ccccc3N2CCN(CCCN\C1=C\C(=O)N(C)C(=O)N1C)CC2,inactive
+O=C1C(=C(C(=O)C(=C1Cl)Cl)Cl)Cl,inactive
+C(S)(=S)N(C)C.N(C)C,inactive
+O=C1C(C(=O)OC(=C1)C)C(=O)C,inactive
+C1(OCC=C)=CC=C(CC(=O)O)C=C1Cl,inactive
+O=C/C=C/C1=CC=CC=C1,inactive
+O=C(NCCCN(CC)CC)CN1N=CC(C3=CC=CC=C3)=C1C2=CC=CC=C2.O=C(O)/C([H])=C([H])/C(O)=O,inactive
+O=C1[C@](C(O)=C2[C@@]3([H])[C@@](O)(C)C4=C(C(O)=CC=C4)C2=O)(O)[C@]([C@H]3O)([H])[C@H](N(C)C)C(O)=C1C(N)=O.Cl,inactive
+C1N2CN3CN(C2)CN1C3,inactive
+OC(C(C=CC=C1)=C1S(N2C)(=O)=O)=C2C(NC3=NC=C(C)S3)=O,inactive
+C(C(F)(Cl)Cl)(F)(F)Cl,inactive
+O=C1NCCN1,inactive
+C(C(C)O)(O[Ca]OC(C(C)O)=O)=O,inactive
+[O-][N+](=O)C1=C(Cl)C(=C(Cl)C(=C1)[N+]([O-])=O)Cl,inactive
+O=C1N(C2=CC=CC=C2)N=C(C1)C,inactive
+O=C1N2C(C3=C(C=CC=C3)CC2)CN(C1)C(=O)C4CCCCC4,inactive
+ClCC(=O)C1=CC=C(NC(=O)C)C=C1,inactive
+O=C2C1=C(CCC2)C(OC[C@@H](O)CNC(C)(C)C)=CC=C1.Cl,inactive
+OC(=O)CCC(=O)OCC2(CCCC)C(=O)N(c1ccccc1)N(C2=O)c3ccccc3,inactive
+CCCC1=CC2=C(C=C1COCCOCCOCCCC)OCO2,inactive
+O=C2C1=C(N=CN2)N([C@@H]3O[C@H](COP([O-])([O-])=O)[C@@H](O)[C@H]3O)C=N1.[Na+].[Na+],inactive
+O=C(C1=CC=C(C=C1)C(=O)OC)OC,inactive
+O=C1OC(=O)CC1,inactive
+O=C([C@H](CO)[C@]2=CC=CC=C2)O[C@@H]1C[C@H](N4C)[C@@H](O3)[C@@H]3[C@@H]4C1.Br.O.O.O,inactive
+C(=O)(/C=C/C)OC1=C(C(CCCCCC)C)C=C(C=C1[N+]([O-])=O)[N+]([O-])=O,inactive
+FC(C(F)Cl)(OC(F)F)F,inactive
+O=S(O)(O)=O.C1(=CC=CC=C1CC(N)C).C2=CC=CC=C2CC(N)C,inactive
+C[N+](CCC(C1=CC=C(C=C1)Cl)C2=NC=CC=C2)C.C(\C(=C(/C(=O)[O-])[H])[H])(=O)O,inactive
+O=C1CCCCC1,inactive
+CCCC[Sn](O[Sn](CCCC)(CCCC)CCCC)(CCCC)CCCC,inactive
+CNC1=NC=NC2=C1N=CN2,inactive
+N1C2=C(C=CC=C2)N=N1,inactive
+O=C1C2=C(N=CN2C)N(C(=O)N1C)C,inactive
+O.[Na+].O.O.CCN(CC)C([S-])=S,inactive
+O=C(/C=C/C6=CC=C(O)C(OC)=C6)O[C@@H]4C(C)(C)[C@@]5([H])[C@]1(CC4)[C@]3([C@](CC5)([H])[C@]2(C)CC[C@@]([C@H](C)CC/C=C(C)\C)([H])[C@](C)2CC3)C1,inactive
+C(C1=CC=C(C=C1)O)(=O)OCCCC,inactive
+O=C1N(C2=CC=CC=C2)N(C(=C1N(C)C)C)C,inactive
+C1(=C(C=CC(=C1)N(CCO)CCO)NCCO)[N+]([O-])=O,inactive
+O=C1CCCO1,inactive
+O=C1CCCCCN1,inactive
+C(C1=CC=CC=C1)(C2=CC=CC=C2)OCCN(C)C.[H]Cl,inactive
+C1(=C(/C=C/C2=C(S(=O)(=O)[O-])C=C(C=C2)N)C=CC(=C1)N)S(=O)(=O)[O-].[Na+].[Na+],inactive
+Cl.CC(C)(C)NCC(O)COc1cccc(C)c1C,inactive
+OCC(=O)[C@@]3(O)CC[C@H]2[C@@H]4CC\C1=C\C(=O)/C=C\[C@]1(C)[C@H]4C(=O)C[C@@]23C,inactive
+Cl.CC3CCCC(C)N3CCCC(O)(c1ccccc1)c2ccccn2,inactive
+[H][C@@]12[C@]([H])(NC([C@H](N)C3=CC=CC=C3)=O)C(N1[C@@H]([C@@](O)=O)C(C)(C)S2)=O.O.O.O,inactive
+S=C(N(C)C)SSC(=S)N(C)C,inactive
+Cl.CC(C)(C)NCC(O)CO/C1=C/N(C)C(=O)c2ccccc12,inactive
+OCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CC\C1=C\C(=O)CC[C@]1(C)[C@H]4[C@@H](O)C[C@]23C,inactive
+OC2=CC1=C(C(O)=C2)C(C(O[C@@H]4O[C@@H]([C@H]([C@H](O)[C@H]4O)O)CO[C@H]3[C@H](O)[C@H](O)[C@H]([C@H](C)O3)O)=C(C5=CC(O)=C(C=C5)O)O1)=O.O=S(O)(O)=O,inactive
+Cl.O=P1(OCC(C)(C)CO1)C\4=C(/C)NC(/C)=C(/C(=O)OCCN(Cc2ccccc2)c3ccccc3)C/4c5cccc(c5)[N+]([O-])=O.CCO,inactive
+[As]21O[As]3O[As](O1)O[As](O2)O3,inactive
+OS(O)(=O)=O.OCCN(CCO)c1ccc(N)cc1,inactive
+[Cd+2].[O-]C(C)=O.[O-]C(C)=O,inactive
+N1=C(SSC2=NC3=C(C=CC=C3)S2)SC4=C1C=CC=C4,inactive
+OCC1=CC=CC=C1,inactive
+O=S(=O)(C1=C(C=CC=C1)/C(=C2\C=C/C(=[N+](/CC3=CC(=CC=C3)S(=O)(=O)[O-])CC)C=C2)C4=CC=C(C=C4)N(CC5=CC(=CC=C5)S(=O)(=O)[O-])CC)[O-].[Na+].[Na+],inactive
+[Fe+3].O=C([O-])CC(O)(CC(=O)[O-])C([O-])=O.O.O.O.O,inactive
+OC2=C1[C@@](C=C(C)CC3)([H])[C@]3([H])C(C)(C)OC1=CC(CCCCC)=C2,inactive
+OC1=CC(C2=NC(N(C(C)C)C3=C2C=CC(C)=C3)=O)=CC=C1,inactive
+Cl[O-].[Na+],inactive
+NC1=C2C(=NC(=N1)N)N=CC(=N2)CN(C3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C,inactive
+CC2=CC1=CC=CC=C1C=C2,inactive
+OC1=C(C=CC(=C1)O)CCCCCC,inactive
+Cl/C2=C(\Cl)C3(Cl)C1C(Cl)OC(Cl)C1C2(Cl)C3(Cl)Cl,inactive
+OC1=CC(=CC=C1)O,inactive
+OC(=O)CC[N+](=O)[O-],inactive
+OC1=CC=CC2=CC=CN=C12,inactive
+OC1=CC=CC=C1,inactive
+Oc1ccc(C[C@](C)(N)C(O)=O)cc1O.OC(=O)[C@@](C)(N)Cc1cc(O)c(O)cc1.O.O.O,inactive
+O=C1C2=C(C=CC=C2)C(=O)O1,inactive
+O=[As](O)(O)[O-].[Na+],inactive
+OC1=CC=C(C=C1)OCC2=CC=CC=C2,inactive
+O=C1c2c(O)cc(C)cc2C(=O)c3cc(O)cc(O)c13,inactive
+O=[N+](CC)[O-],inactive
+Cl.Cl.[O-][N+](=O)c1cccc(c1)C/2C(\C(=O)OC)=C(\C)NC(\C)=C\2C(=O)OCCN3CCN(CC3)C(c4ccccc4)c5ccccc5,inactive
+S=C1NC=NC2=C1N=CN2,inactive
+S=C=NC1=CC=CC=C1,inactive
+.[K+].[Cl-],inactive
+O=C(NC3=CC2=C(C=C3)C1=CC=C(NC(C)=O)C=C1C2)C,inactive
+S=C(S[Pb]SC(N(C)C)=S)N(C)C,inactive
+OC(=O)C1=C(C=CC=C1)OC(=O)C,inactive
+S=C(S[Te](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC)N(CC)CC,inactive
+.[Na+].[Cl-],inactive
+S=P(SC1C(SP(=S)(OCC)OCC)OCCO1)(OCC)OCC,inactive
+S=P(OC1=NC(=NC(=C1)C)C(C)C)(OCC)OCC,inactive
+S1C=CC(=C1)CN(C2=NC=CC=C2)CCN(C)C,inactive
+S=P(SCC(=O)NC)(OC)OC,inactive
+S=P(OC1=CC=C(C=C1)[N+](=O)[O-])(OC)OC,inactive
+S=P(OC1=CC(=C(C=C1)SC)C)(OC)OC,inactive
+S=P(OC1=NC(=C(C=C1Cl)Cl)Cl)(OCC)OCC,inactive
+O=C(NC)OC1=CC=CC(C2)=C1OC2(C)C,inactive
+S=C(NC1CCCCC1)NC1CCCCC1,inactive
+S=C([S-])N(CCCC)CCCC.[S-]C(N(CCCC)CCCC)=S.[Zn+2],inactive
+S=C([S-])N(CC)CC.[S-]C(N(CC)CC)=S.[Zn+2],inactive
+ClC1=C(C=C(C(=C1)Cl)Cl)OCC(=O)O,inactive
+S=C([S-])NCCNC([S-])=S.[Zn+2],inactive
+S(=O)(=O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2,inactive
+CC1=C2C(=CC=C1)C=CC=C2,inactive
+CC(CO)O,inactive
+S=C([S-])N(C)C.[S-]C(N(C)C)=S.[Cu+2],inactive
+S=C(N(CCCC)CCCC)S[Ni]SC(=S)N(CCCC)CCCC,inactive
+CC1=C(C(=CC(=C1)OC(=O)NC)C)N(C)C,inactive
+O=S1(=O)CC=CC1,inactive
+C1(SC2=C(C(=CC(=C2)Cl)Cl)[O-])(=C(C(=CC(=C1)Cl)Cl)[O-]).[Na+].[Na+],inactive
+Cl.CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N2Cc3ccccc3C[C@H]2C(O)=O,inactive
+S=C(N(C)C)SC(=S)N(C)C,inactive
+OCCNC1=C(OCCO)C=C([N+]([O-])=O)C=C1,inactive
+OC2=CC1=C(C(O)=C2)C(C(O[C@@H]4O[C@@H]([C@H]([C@H](O)[C@H]4O)O)CO[C@H]3[C@H](O)[C@H](O)[C@H]([C@H](C)O3)O)=C(C5=CC(O)=C(C=C5)O)O1)=O,inactive
+Cl\C2=C(/Cl)C3(Cl)C1C4CC(C1C2(Cl)C3(Cl)Cl)C5OC45,inactive
+CC1=CC(NC2=C1C=C(C=C2)OCC)(C)C,inactive
+C1=C(C=CC(=C1)C(C2=CC=C(N)C(=C2)C)=C3C=CC(=N)C=C3)N.[H]Cl,inactive
+OC(=O)C1=CC=NC=C1,inactive
+C1=CC=C(NC(=O)C(/N=N/C2=C(Cl)C=C(C3=CC(Cl)=C(/N=N/C(C(=O)NC4=CC=CC=C4)C(=O)C)C=C3)C=C2)C(=O)C)C=C1,inactive
+ClC([N+](=O)[O-])(Cl)Cl,inactive
+OC(CNC(C)C)C1=CC=C(NS(=O)(C)=O)C=C1.[H]Cl,inactive
+OC(=O)C=CC=CC,inactive
+OC(=O)C=C,inactive
+O=C(C1=CC=C(C=C1)N)NC2=CC=C(C=C2)N,inactive
+O=C2C=1/N=C\NC=1N(C)C(=O)N2C,inactive
+OC(=O)CCl,inactive
+[O-][N+](/C=C/C1=CC=CC=C1)=O,inactive
+CCCOC(=O)[CH]1[CH](C)CC2=C(C=C3OCOC3=C2)[CH]1C(=O)OCCC,inactive
+OC(=O)C1=NN(C2=C1C=CC=C2)CC3=CC=C(C=C3Cl)Cl,inactive
+OC(=O)CC1=CNC2=C1C=CC=C2,inactive
+OC(=O)CC1=C2C(=CC=C1)C=CC=C2,inactive
+OC(=O)\C=C/C(O)=O.C(C(C1CCCCC1)C2CCCCC2)C3CCCCN3,inactive
+NC1=C(C=CC=C1)C(=O)O,inactive
+[O-][N+](C)(C)CCCCCCCCCC,inactive
+O=S(O)(O)=O.O[C@@H]([C@H](C)NC)[C@@]1=CC=CC=C1.O[C@@H]([C@H](C)NC)[C@@]2=CC=CC=C2,inactive
+C(C1C=CC(=CC=1)O)(C2=CC=C(C=C2)O)(C)C,inactive
+O=C1C(NC(=O)N1)NC(=O)N,inactive
+[O-][N+](C1=CC([N+]([O-])=O)=CC([N+]([O-])=O)=C1)=O,inactive
+O=S(C1=CC=C(C(C)CCCCCCCCCC)C=C1)([O-])=O.[Na+],inactive
+CC(=O)O[C@H]1[C@@H]([C@H](O[C@H]([C@@H]1OC(=O)C)COC(=O)C)S[Au]=P(CC)(CC)CC)OC(=O)C,inactive
+OB(O)O,inactive
+O1C2=C(C=CC=C2)OC3=CC=CC=C13,inactive
+OC(=O)[C@@H]3[C@]51C[C@@](O)(CC[C@H]1[C@@]24\C=C/[C@H](O)[C@@](C)(C(=O)O2)[C@@H]34)C(=C)C5,inactive
+[O-][N+](=O)C1=CC=CC(=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)/N=N/C4=CC(=CC=C4OC)[N+]([O-])=O,inactive
+[Be+2].O=S(=O)([O-])[O-],inactive
+[Na+].[As](=O)[O-],inactive
+C1(=CC(=CC=C1N)OC)OC.[H]Cl,inactive
+OC(OC(O)CC)CC,inactive
+CC(C)NCC(O)COc1ccc(cc1)NC(C)=O,inactive
+OC1=C(C=C(C(=C1CC2=C(C(=CC(=C2Cl)Cl)Cl)O)Cl)Cl)Cl,inactive
+[Na+].[O-]C(=O)[C@@H](N)CC(O)=O,inactive
+[O-]C1=C(I)C=C(C(C2=C(C([O-])=O)C=CC=C2)=C3C=C(C(C(I)=C3O4)=O)I)C4=C1I.[Na+].[Na+],inactive
+CC(C)C=O,inactive
+OC1(=C(O)C(=O)O[C@H]1[C@@H](C[O-])O).[Na+],inactive
+C1(=C(C=C(N)C=C1)[N+](=O)[O-])NCCO,inactive
+ClC1(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl,inactive
+C1=CC=CC(=C1)C(C(C2=CC=CC=C2)=O)O,inactive
+OC1=C(C=C(C=C1C(CC)C)[N+](=O)[O-])[N+](=O)[O-],inactive
+OC1=C(C=C(C=C1C(C)(C)C)CO)C(C)(C)C,inactive
+CC(CC1=CC=CC=C1)NN.[H]Cl,inactive
+O.O.O.O.NC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@@H]1CC(=O)N(C)C(=O)N1)C\C2=C\N=C/N2,inactive
+OC1=C(C=C(C=C1C(C)(C)C)C(C)(C)C)C(C)(C)C,inactive
+[Na+].[N-]=[N+]=[N-],inactive
+O=[Ti]=O,inactive
+[Na+].[F-],inactive
+BrC(C(=O)NC(=O)N)(CC)CC,inactive
+[Cd+2].[Cl-].[Cl-].[H]O[H],inactive
+O[As](=O)(C1=CC=C(C=C1)NC(=O)N)O,inactive
+C12=C(C=CC(=C1)C(CNC(C)C)O)C=CC=C2.[H]Cl,inactive
+OC(CC(C1)C)C(C1)C(C)C,inactive
+[Na+].O=C([O-])[C@@H](N)CCC(O)=O,inactive
+N[C@@H](C\C1=C\N=C/N1)C(O)=O.Cl,inactive
+OC(C)CCl,inactive
+OC(C)C,inactive
+O=C1N(C2=CC=C(C=C2C(=NC1)C3=CC=CC=C3)Cl)CC4CC4,inactive
+C1CNCCN1,inactive
+OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O,inactive
+OC[C@@H](NC(C(Cl)Cl)=O)[C@H](O)C1=CC=C(S(=O)(C)=O)C=C1,inactive
+OC(CNC(C)C)COC1=CC=CC=C1OCC=C.Cl,inactive
+[Na+].C1(=CC=C2C(=C1S([O-])(=O)=O)C=CC=C2)/N=N/C3=C(C=CC4=C3C=CC=C4)O,inactive
+O=C(OC)C1=C(C)NC(C)=C(C(OCC(C)(C)CN(CC3=CC=CC=C3)C)=O)C1C2=CC([N+]([O-])=O)=CC=C2F.Cl,inactive
+OC(CO)CCl,inactive
+NC1=CC(=CC=C1)N,inactive
+C1=CC=C(C(C(=O)OC)C2N(N=O)CCCC2)C=C1,inactive
+CCC1(C2=C(C3=C(C(=CC=C3)CC)N2)CCO1)CC(=O)O,inactive
+S=C(N(CC)CC)SSC(=S)N(CC)CC,inactive
+NC(=S)NNC(=S)N,inactive
+OC(=O)C1=CC=CN=C1,inactive
+CC(=O)[O-].[O-]C(=O)C.[O-]C(=O)C.[Cr+3],inactive
+C1=CC=C(C(OC)C(=O)O)C=C1,inactive
+C1=C(Cl)C=C3C(=C1)N(CCO)C(=O)C(O)N=C3C2=CC=CC=C2F,inactive
+C1=C(Cl)C=C3C(=C1)N4C(CN=C3C2=CC=CC=C2)=NN=C4,inactive
+ClCC/C(C2=CC=CC=C2)=C(C3=CC=CC=C3)/C1=CC=C(C=C1)OCCN(C)C.OC(C(O)=O)(CC(O)=O)CC(O)=O,inactive
+NC1=CC=C(C=C1)Cl,inactive
+C1=C2C(=CC=C1NC3=CC=C(C=C3)NC4=CC=C5C(=C4)C=CC=C5)C=CC=C2,inactive
+C1=C2C(=CC=C1NC3=CC=CC=C3)C=CC=C2,inactive
+O=CCBr,inactive
+CC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-],inactive
+C1=CC=C2C(=C1)C=C(C=C2)C(CNC(C)C)O,inactive
+CC1(C(=C(CCC1)C)C=CC(=CC=CC(=CC(=O)O)C)C)C,inactive
+NC(CCCN)(C(=O)O)C(F)F,inactive
+O=C(O)[C@H](CS)N.Cl,inactive
+N(CC(=O)[O-])CC(=O)O.[Na+],inactive
+C1(C(NCC2CCCCN2)=O)=C(C=CC(=C1)OCC(F)(F)F)OCC(F)(F)F.CC(=O)O,inactive
+CC(=O)O[Sn](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3,inactive
+O=C(C(C)=C2C)C(C(CCCCCC(O)=O)C1=CC=CC=C1)=C(C)C2=O,inactive
+NC(C(=O)O)CCSC,inactive
+C13CC(C4C3O4)C2C1C5C(O5)C2,inactive
+CN(C=O)C,inactive
+C1=CC=C5C(=C1)N(CC2=CC=C(F)C=C2)C(NC4CCN(CCC3=CC=C(OC)C=C3)CC4)=N5,inactive
+CC1(C2=CC=CC=C2)C(O1)C(=O)OCC,inactive
+C1=C(C=CC=C1)C2=CC=CC=C2,inactive
+NC1(=CC=C(C=C1)NC2=CC=CC=C2).[H]Cl,inactive
+CC1(C(=C(CCC1)C)C=CC(=CC=CC(=CCOC(=O)CCCCCCCCCCCCCCC)C)C)C,inactive
+NC1=C(C)C=C(N)C=C1.O=S(O)(O)=O,inactive
+O[As](=O)(C1=CC(=C(C=C1)O)[N+](=O)[O-])O,inactive
+NC(=S)NN,inactive
+CC1=CC=CC(C)=C1,inactive
+N=C\2/N=C3/O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1N3/C=C/2,inactive
+C1(C2=CC=C(C(=C2)Cl)N=NC(C(C)=O)C(=O)NC3=C(C=C(C(=C3)OC)Cl)OC)=CC(=C(C=C1)N=NC(C(C)=O)C(=O)NC4=CC(=C(C=C4OC)Cl)OC)Cl,inactive
+C(CCC(=O)O)([O-])=O.[Na+],inactive
+C1(CCNC(NC(N)=N)=N)=CC=CC=C1.[H]Cl,inactive
+CC(=O)O[Hg]C1=CC=CC=C1,inactive
+C1(CCCCC1[N+]).O=S(=O)([O-])O,inactive
+C1(C(OCC(C)C)=O)=CC=C(O)C=C1,inactive
+O.O=C(Nc3cccc1c3O/C(=C\C1=O)C2=N\N\N=N2)c5ccc(OCCCCc4ccccc4)cc5.O=C(Nc3cccc1c3O/C(=C\C1=O)/C=2N\N=N/N=2)c5ccc(OCCCCc4ccccc4)cc5,inactive
+O=S(=O)([O-])[O-].O.[Mn+2],inactive
+[S-]C1=NC(C=CC=C2)=C2S1.[S-]C3=NC(C=CC=C4)=C4S3.[Zn+2],inactive
+O=S(=O)(C1=CC=C(C=C1)Cl)NC(=O)NCCC,inactive
+Nc1cc(Cl)c(N)cc1.OS(O)(=O)=O,inactive
+C1(C[C@H]([C@@H]([C@H]1CCCCCCC(=O)OC)/C=C/CC(O)(CCCC)C)O)=O,inactive
+CC1=CC=CC(C=C)=C1,inactive
+CC(=O)O[C@@H]3CC(=O)O[C@H](C)C\C=C\C=C\[C@H](O)[C@H](C)C[C@H](CC=O)[C@H](O[C@@H]2O[C@H](C)[C@@H](O[C@H]1C[C@@](C)(O)[C@H](OC(=O)CC(C)C)[C@H](C)O1)[C@H](N(C)C)[C@H]2O)C3OC,inactive
+S=C(N1CCCCC1)SSSSSSC(=S)N1CCCCC1,inactive
+ClC6C4(Cl)C3C1C5C(C3C2OC12)C4(Cl)C(Cl)(Cl)C56Cl,inactive
+NC1=NC(=NC(=N1)N)C2=CC=CC=C2,inactive
+C1(CCCCC1)N.[H]Cl,inactive
+CC(=O)O[C@H]\1CC[C@H]4C(=C/1)/CC[C@@H]2[C@@H]4CC[C@]3(C)[C@@](CC[C@@H]23)(C#C)OC(C)=O,inactive
+OC(=O)CCCC\C=C(\c1cccnc1)c2ccccc2,inactive
+CN1CCN(CC1)/C2=N/C3=CC=CC=C3SC4C=CC(C)=CC2=4,inactive
+FC(Cl)(Cl)Cl,inactive
+c1(n(cnc1)C)C[C@@H]2[C@@H](C(=O)OC2)CC,inactive
+C1(=C(C=CC(=C1)NC(N(CC)CC)=O)OCC(CNC(C)(C)C)O)C(C)=O,inactive
+N(C)(C)C([S-])=S.[Fe+3].[S-]C(=S)N(C)C.[S-]C(=S)N(C)C,inactive
+S=P(OC1=CC=C(C=C1)[N+](=O)[O-])(OCC)OCC,inactive
+CC1=C(Cl)C(=O)OC2=C1C=CC(=C2)OP(=S)(OCC)OCC,inactive
+N(C1=CC=C(C=C1)NC2=CC=CC=C2)C3=CC=CC=C3,inactive
+[Cd+2].[Cd+2].[Cd+2].[O-]S(=O)(=O)[O-].[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.O.O.O.O.O.O.O.O,inactive
+CC1=C(SSC1=S)C2=CN=CC=N2,inactive
+CC=C,inactive
+C1(=CC=CC=C1)C(=O)[O-].[Na+],inactive
+C12C(=CC=CC=1NCCN)C=CC=C2.[H]Cl.[H]Cl,inactive
+C1CCNCC1,inactive
+N#CC(C1=CC=CC=C1)C2=CC=CC=C2,inactive
+C1(CSCCNC(NC)=NC#N)=C(C)NC=N1,inactive
+CC(OC(=O)OC1CCCCC1)OC(=O)c5cccc6nc(OCC)n(Cc2ccc(cc2)c3ccccc3C\4=N\N=N/N/4)c56,inactive
+N#[N+][O-],inactive
+[Ni],inactive
+CC#N,inactive
+CC(=O)NNC(=O)C,inactive
+CN(C)CCN(CC1=CC=CO1)C2=CC=CC=N2,inactive
+NCCS(O)(=O)=O,inactive
+C1CCCNCCC1,inactive
+Cl.O=C(c2cn(C)c1ccccc12)[C@H]3CC=4N\C=N/C=4CC3,inactive
+.[Cl-].[Fe+3].[Cl-].[Cl-],inactive
+Cl.CN(C)[C@@H]2C(\O)=C(\C(N)=O)C(=O)[C@@]3(O)C(/O)=C4/C(=O)c1c(cccc1O)[C@@](C)(O)[C@H]4C[C@@H]23,inactive
+OCCOCCOC1=CC=C(CCCCCCCCC)C=C1,inactive
+ClC1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC=CC=C2,inactive
+[Ca+2].[N-2]C#N,inactive
+CC(=C)C#N,inactive
+N(N(CC(O)=O)CC(O)=O)=O,inactive
+C1C(CC(CC1(OOC(C)(C)C)OOC(C)(C)C)(C)C)C,inactive
+CC(Cl)(Cl)Cl,inactive
+CC(Cl)Cl,inactive
+COc3cc4CC[C@@H]1[C@H](CC[C@]2(C)[C@@](O)(CC[C@@H]12)C#C)c4cc3,inactive
+C2=C(N)C=CC(S(=O)(=O)NC1ON=C(C)C=1C)=C2,inactive
+CN1C2=C(C=C(C=C2)Cl)C(=NCC1=O)C3=CC=CC=C3,inactive
+O=C(NC1=CC=CC=C1)OC(C)C,inactive
+CN(CCC2)[C@@H]2[C@]1=CN=CC=C1.Cl,inactive
+[Cl-].OC[P+](CO)(CO)CO,inactive
+C=C(Cl)C=C,inactive
+O=[C@](O[C@H](O[C@H](CO)[C@H]1O)[C@H](O)[C@H]1O)[C@@]5(C)[C@](CC3)([H])[C@](CCC5)(C)[C@@](CC4)([H])[C@@](C2)3C[C@]4(O[C@H]6[C@H](O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O7)[C@@H](O)[C@H](O)[C@@H](CO)O6)[C@@]2=C,inactive
+CBr,inactive
+N#[N+]C1=CC=CC=C1.F[B-](F)(F)F,inactive
+NC(=O)CC1=C2C(=CC=C1)C=CC=C2,inactive
+NC(=O)C1=NC=CN=C1,inactive
+NC(=O)CCCCC(=O)N,inactive
+Cl\C2=C(/Cl)C3(Cl)C1COS(=O)OCC1C2(Cl)C3(Cl)Cl,inactive
+NC(=O)C1=C(C=CC=C1)C(=O)N,inactive
+CN1C2=CC=C(C=C2C(=NC(C1=O)O)C3=CC=CC=C3)Cl,inactive
+NC(=O)C1=CC=NC=C1,inactive
+CC(=O)O[Sn](OC(=O)C)(CCCC)CCCC,inactive
+IC(I)I,inactive
+C=CC=O,inactive
+NC(=S)NC1=C2C(=CC=C1)C=CC=C2,inactive
+ClC(C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)(Cl)Cl,inactive
+C12=C(C(=O)NS1(=O)=O)C=CC=C2,inactive
+CN(C)CCN(CC1=CC=CS1)C2=CC=CC=C2,inactive
+C12(C(=C(/N=N/C3=C(C4=C(C(=C3)S(=O)(=O)[O-])C=CC=C4)O)C=CC=1S(=O)(=O)[O-])C=CC=C2).[Na+].[Na+],inactive
+S=C(S[Se](SC(=S)N(C)C)(SC(=S)N(C)C)SC(=S)N(C)C)N(C)C,inactive
+NC(=N)NC#N,inactive
+N1=CC=CC2=CC=CC(=C12)O[Cu]OC3=CC=CC4=CC=CN=C34,inactive
+C12C(C3C(CC1C3)NC(N(C)C)=O)CCC2,inactive
+C1=CC(=CC=C1NNC(CC[C@@H](C(O)=O)N)=O)CO,inactive
+N12([C@@H]([C@@H](C1=O)NC(COC3=CC=CC=C3)=O)SC([C@@H]2C(=O)[O-])(C)C).[K+],inactive
+N1=C(SC2=C1C=CC=C2)SN3CCOCC3,inactive
+CN(C)C(C)=O,inactive
+C([O-])(C)=O.[O-]C(C)=O.[Ni+2],inactive
+N1=C(SNC2CCCCC2)SC3=C1C=CC=C3,inactive
+O=[N+](C1=CC=C(C=C1)N)[O-],inactive
+N1C2=C(C=CC=C2)SC3=CC=CC=C13,inactive
+C1(=CC(=C(C(=C1)N)C)N).[H]Cl.[H]Cl,inactive
+CC(C1=CC(=C(C=C1O)C)SC2=CC(=C(C=C2C)O)C(C)(C)C)(C)C,inactive
+N1C(N(CC(C1=O)C)N=O)=O,inactive
+N1C(=NC2=C1C=CC=C2)C3=CSC=N3,inactive
+OC1=C(C=C(C=C1SC2=C(C(=CC(=C2)Cl)Cl)O)Cl)Cl,inactive
+OCC(=O)[C@@]4(O)C[C@H](O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1)c5c(O)c3C(=O)c2c(OC)cccc2C(=O)c3c(O)c5C4,inactive
+O=C1C2=C(C=C(C=C2O)O)OC(=C1O)C3=CC=C(C=C3)O,inactive
+O=C(CN1C(=O)CCC1)NC2=C(C=CC=C2C)C,inactive
+CC1CC(OC(O1)C)OC(=O)C,inactive
+ClC1=C(C=CC(=C1)NC(=O)N(C)C)Cl,inactive
+O=C(COC1=C(Cl)C=C(Cl)C=C1)OCC(CC)CCCC,inactive
+O=C(CC(/C=C/C2=CC=C(O)C(OC)=C2)=O)/C=C/C1=CC=C(O)C(OC)=C1,inactive
+O[C@H]1[C@@H](NC(CO)CO)C[C@](O)(CO)[C@@H](O)[C@@H]1O,inactive
+OC=1[C@H](OC(=O)C=1O)[C@@H](O)CO,inactive
+O[C@H]([C@@H]2O)[C@@H](O[C@@H]2CO)N1C(N=CN=C3NC)=C3N=C1,inactive
+C=CC1=CC=C(C=C1)C,inactive
+Clc1c([N+]([O-])=O)c(Cl)c(Cl)c(OC)c1Cl,inactive
+ClC1=C(C=CC(=C1)Cl)OCC(=O)OCCCC,inactive
+NC(=O)C1=CC=CN=C1,inactive
+ClC1=C(C=CC(=C1)N)C,inactive
+O=C(O)COC1=C(C)C=C(Cl)C=C1,inactive
+C[C@@H]3O[C@]1(CS3)C2CCN(CC2)C1.C[C@@H]6O[C@]4(CS6)C5CCN(CC5)C4.O.Cl.Cl,inactive
+CS(=O)(=O)OCCCNCCCOS(C)(=O)=O.[H]Cl,inactive
+FC(F)(Cl)Cl,inactive
+ClC1=C(Cl)N=C(C(O)=O)C(Cl)=C1N,inactive
+O=P(OC2=CC=C(C)C=C2)(OC3=CC=C(C)C=C3)OC1=CC=C(C)C=C1,inactive
+ClC1=C(Cl)C=CC([C@H]2C3=C(C=CC=C3)[C@@H](NC)CC2)=C1.Cl,inactive
+C(C(=O)[O-])(O[Ti](OC(C(=O)[O-])=O)=O)=O.[K+].[K+],inactive
+C1(=C(C=CC(=C1)[C@H](CN[C@@H](CCC2=CC=CC=C2)C)O)O)C(N)=O.[H]Cl,inactive
+CN(CCC2)[C@@H]2[C@]1=CN=CC=C1,inactive
+O=C(C1=C(C=CC=C1)C(=O)OCC=C)OCC=C,inactive
+[Na+].[O-]Cl=O,inactive
+N(=C(C=1)C)N(C(C)C)C=1OC(=O)N(C)C,inactive
+C1([C@H](CNC)O)(=CC(=CC=C1)O).[H]Cl,inactive
+O=C(C2=CC=CC=C2)S\C(CCOC(C3=CC=CC=C3)=O)=C(C)/N(C=O)CC1=CN=C(C)N=C1N.Cl,inactive
+ClCl,inactive
+O=C(C1=CC=CC=C1)CCl,inactive
+ClC1=CC=CC=C1C=C(C#N)C#N,inactive
+O=C(C1=CC=CC=C1)OOC(=O)C2=CC=CC=C2,inactive
+CC(C)(CO)CCCCCCC(C)(C)CO,inactive
+O=C(O[C@H](CC)C(/C=C(C)/C=C/C4=O)CO[C@H](O[C@H](C)[C@H]2O)[C@H](OC)[C@@H]2OC)C[C@@H](O)[C@H](C)[C@H]([C@@H](CC=O)C[C@H]4C)O[C@H]1[C@H](O)[C@@H](N(C)C)[C@H](O[C@H](O[C@@H](C)[C@@H]3O)C[C@@]3(C)O)[C@@H](C)O1.OC(C)C(O)=O,inactive
+C[N+](CCCCCCCCCCCC)(C)[O-],inactive
+O=C(O)[C@@H](N)CC1=CNC2=C1C=CC=C2,inactive
+O=C(O)CC[C@@H](C)[C@]3([H])[C@](CC2)(C)[C@](CC3)([H])[C@@](CC4)([H])[C@@]2([H])[C@]1(C)[C@@]4([H])C[C@H](O)CC1,inactive
+O=C(O)\C=C/C(O)=O.O=C(NC3CC(N4C)CCC4C3)C1=C2C(CC(C)(C)O2)=CC(Cl)=C1,inactive
+ClC1=C(C=CC(=C1)Cl)O,inactive
+C/C=C/C1=CC2=C(C=C1)OCO2,inactive
+O=C(NN)OC,inactive
+ClC4=C(C=CC=C4)C2=NC(C)C1=NN=C(C)N1C3=C2C=C(CCC5=CC=C(CC(C)C)C=C5)S3,inactive
+C1(C=CC=CN=1)CCl.Cl,inactive
+C1(=CC=C2C(=C1)N(C(\N=C/2C3=CC=CC=C3)=O)C(C)C)C,inactive
+O=C(O[C@H](CC)[C@](O)(C)[C@H](O)[C@@H](C)C2=O)[C@H](C)[C@@H](O[C@H]3C[C@](OC)(C)[C@@H](O)[C@H](C)O3)[C@H](C)[C@H]([C@@](O)(C)C[C@H]2C)O[C@H]1[C@H](O)[C@@H]([N@H+](C)C)C[C@@H](C)O1.[O-]C(CCCCCCCCCCCCCCCCC)=O,inactive
+P,inactive
+CC(C)NCC(O)COC1(=CC=C(C=C1)CC(=O)N).[H]Cl,inactive
+O=C(O)Cc1ccc(cc1)NC(C)=O,inactive
+S=C(N(C)C)S[Bi](SC(=S)N(C)C)SC(=S)N(C)C,inactive
+O=C(O[C@@H]1[C@@](O[C@@H](O[C@H](COC(C)=O)[C@H]2OC(C(C)C)=O)[C@H](OC(C(C)C)=O)[C@H]2OC(C(C)C)=O)(COC(C)=O)O[C@H](COC(C(C)C)=O)[C@H]1OC(C(C)C)=O)C(C)C,inactive
+CC3=CC=C(C=C3)\C(C2=CC=CC=N2)=C/CN1CCCC1.O.Cl,inactive
+C=C(F)F,inactive
+C=C/C=N/O,inactive
+FC(F)Cl,inactive
+O[C@H]1[C@@H]([C@H](O)CO)O[C@H]2[C@@H]1O[C@@H]([C@@](Cl)(Cl)Cl)O2,inactive
+C\1=C/C(O[C@@H](C/C=C/C=C/C=C/C=C/[C@@H](C[C@@H]3O[C@](C[C@H](C[C@H]2O[C@H]/12)O)(C[C@@H]([C@H]3C(O)=O)O)O)O[C@@H]4O[C@@H]([C@H]([C@@H]([C@@H]4O)N)O)C)C)=O,inactive
+ClC1=C(C=CC(=C1)Cl)OCC(=O)O,inactive
+O=C(N1)N(C2OCCC2)C=C(F)C1=O,inactive
+C=CC(OCC)OCC,inactive
+O=C(NC1=CC=CC(=C1)Cl)OC(C)C,inactive
+O=C(NC1=CC=CC(=C1)C(F)(F)F)N(C)C,inactive
+ClC1=C(C=C(C=C1)Cl)OC(C(=O)O)C,inactive
+C1(=C(C=CC(=C1)CCNC)OC(C(C)C)=O)OC(C(C)C)=O.[H]Cl,inactive
+CC2(C)CCCC(\C)=C2\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(/C)CCCC1(C)C,inactive
+CC([N+](=O)[O-])C,inactive
+C/C=C/C1=CC=C(C=C1)OC,inactive
+C=CCCl,inactive
+C1(=CC(=CC=C1N)N).[H]Cl.[H]Cl,inactive
+O=S(C1=CC=C2C(C=CC(O)=C2\N=N/C3=CC=C(S(=O)([O-])=O)C=C3)=C1)([O-])=O.[Na+].[Na+],inactive
+CC1=CC=CC=C1OCC(O)CNCCN2/C=C(/C)C(=O)NC2=O.[H]Cl,inactive
+O=C(N(CCCC)CC)SCCC,inactive
+ClC1=CC2=C(C=C1)OC3=C(C=CC(=C3)Cl)O2,inactive
+O=[C@]([C@@H]1C[C@@H](O)CN1N=O)O,inactive
+Cl[Mg]Cl.O.O.O.O.O.O,inactive
+C1(=CC=C(N)C=C1)OC.[H]Cl,inactive
+ClC1=NC(=NC(=N1)NC(C)C)NC(C)C,inactive
+[Na+].CN(C)c1ccc(/N=N/S([O-])(=O)=O)cc1,inactive
+O=[N+](C1=CC(=C(C=C1)N)N)[O-],inactive
+ClC(=C(C1=CC=C(C=C1)OC)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC,inactive
+CC1=CC=CC2=CC=CN=C12,inactive
+O=[N+](C1=CC(=C(C(=C1)Cl)N)Cl)[O-],inactive
+O=[N+](C1=C2C(=CC=C1)C=CC=C2)[O-],inactive
+OC(CN(C1=CC=C(N=N1)NN)C)C.Cl.Cl,inactive
+O=[N+](C1=CC(=C(C=C1)C(=O)O)N)[O-],inactive
+O=C(O[C@@H]2C[C@@H](CC3)N(C)[C@H]3C2)C(CO)C1=CC=CC=C1,inactive
+O[C@@H]1C2[C@@]34C5=C(C=CC(=C5O2)OC)CC(C3C=C1)N(C)CC4,inactive
+O=C(OC)C1=C(C)NC(C)=C(C(OCCC3=CC=C(N4CCN(C(C6=CC=CC=C6)C5=CC=CC=C5)CC4)C=C3)=O)C1C2=CC([N+]([O-])=O)=CC=C2.Cl.Cl,inactive
+O[C@@H]8[C@@H](O)[C@@H]1O[C@H](CO)[C@H]8O[C@H]7O[C@H](CO)[C@@H](O[C@H]6O[C@H](CO)[C@@H](O[C@H]5O[C@H](CO)[C@@H](O[C@H]4O[C@H](CO)[C@@H](O[C@H]3O[C@H](CO)[C@@H](O[C@H]2O[C@H](CO)[C@@H](O1)[C@H](O)[C@H]2O)[C@H](O)[C@H]3O)[C@H](O)[C@H]4O)[C@H](O)[C@H]5O)[C,inactive
+[Na+].[O-]S(=O)(=O)c4ccc(c1c3cc(C)c(cc3[o+]c2cc(c(C)cc12)N(CC)CC)N(CC)CC)c(c4)S([O-])(=O)=O,inactive
+O[As](O)(C)=O,inactive
+C1(C(COCCOC(=O)CCCCCCCC=CCCCCCCCC)OCCO)OC(OCCO)CC1OCCO,inactive
+O[C@@H]([C@H](O)[C@H](O)CO)[C@H](O)CO,inactive
+C([O-])(=O)CN(CC(=O)O)CCN(CC([O-])=O)CC([O-])=O.[Na+].[Na+].[Na+].[H]O[H].[H]O[H].[H]O[H],inactive
+O[C@H]1[C@H](O[C@H](CO)[C@@H](O)[C@@H]1O)O[C@]2(CO)O[C@H](CO)[C@@H](O)[C@@H]2O,inactive
+OC1=CC=C(C=C1)C2=CC=CC=C2,inactive
+CC(OC1=CC=C(C=C1)NC2=CC=CC=C2)C,inactive
+O[C@H]1[C@H](OC[C@H]2O[C@@H](OC(/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C(O[C@H]3[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO[C@H]4[C@H](O)[C@@H](O)[C@H](O)[C@@H](CO)O4)O3)=O)=O)[C@H](O)[C@@H](O)[C@@H]2O)O[C@H](CO)[C@@H](O)[C@@H]1O,inactive
+ClC1=NC(=NC(=N1)NCC)NCC,inactive
+C1(C(=CC=C(C=1)NC(C(C)=C)=O)Cl)Cl,inactive
+ClC1=NC(=NC(=N1)NC2=CC=CC=C2Cl)Cl,inactive
+ClC1=CC(=CC=C1OCC(=O)OC(C)C)Cl,inactive
+O=C(C)NCCSP(=S)(OC)OC,inactive
+C1(=N\CCN/1)C(C)OC2C(=CC=CC=2Cl)Cl.[H]Cl,inactive
+N(N(CC(F)(F)F)CC(F)(F)F)=O,inactive
+O=C(C(C1=CC=C(C=C1)Cl)C(C)C)OC(C2=CC=CC(=C2)OC3=CC=CC=C3)C#N,inactive
+ClC1=CC(=C(C=C1SC2=CC=C(C=C2)Cl)Cl)Cl,inactive
+O=S([N-]C1=O)(OC(C)=C1)=O.[K+],inactive
+ClC1=CC(Cl)=C(/N=N/C(C(=O)NC2=C(C=C(C3=CC(C)=C(NC(=O)C(/N=N/C4=C(Cl)C=C(Cl)C=C4)C(=O)C)C=C3)C=C2)C)C(=O)C)C=C1,inactive
+O=C(C(=NOC(=O)NC)SC)N(C)C,inactive
+O=C(C(=C)C)OC,inactive
+C(C\C=C/CCCCCCCC)CCCCCC(=O)[O-].[Na+],inactive
+O=C(C(SP(=S)(OC)OC)CC(=O)OCC)OCC,inactive
+ClC1=CC(=C(C=C1C2=C(C=C(C(=C2)Cl)N)Cl)Cl)N,inactive
+OC1=C(C=C(C=C1C(C)(C)C)C)CC2=CC(=CC(=C2O)C(C)(C)C)C,inactive
+O=S1(=O)C2=C(C=C(C(=C2)S(=O)(=O)N)Cl)NCN1,inactive
+O=C(C(C1=CC=CC=C1)(C2=CC=CC=C2)CC(N(C)C)C)CC.[H]Cl,inactive
+O=C(C(SP(=O)(OC)OC)CC(=O)OCC)OCC,inactive
+O=C(C(O)(C2=CC=CC=C2)C1CCCCC1)OC(C)(C)C#CCN(CC)CC.O.Cl,inactive
+O=C([O-])C(NN1C2=CC=C(S(=O)([O-])=O)C=C2)=C(/N=N/C3=CC=C(S(=O)([O-])=O)C=C3)C1=O.[Na+].[Na+].[Na+],inactive
+O=[N+](C1=CC2=CC=CN=C2C=C1)[O-],inactive
+C12C(=C(C=CC=1NC(C)=O)S(=O)(=O)[O-])C=C(C(=C2O)/N=N/C3=C4C(=C(C=C3)/N=N\C5=CC=C(C=C5)S(=O)(=O)[O-])C=CC(=C4)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+],inactive
+C1(=C2C(=CC=C1N)C=CC=C2)S(=O)(O)=O,inactive
+[Cl-].[Ba+2].[Cl-].O.O,inactive
+O=C(C1=CC(=C(C(=C1)O)O)O)OCCC,inactive
+CC1=CC2=CC=CN=C2C=C1,inactive
+NC(=O)NCCCC,inactive
+O=[N+]([O-])[O-].[Na+],inactive
+O=C([C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(=O)O)N)OC,inactive
+O=C([C@](C(C=C4OC)=C(C=C4OC)OC3)([H])[C@]3([H])O2)C(C=C5)=C2C1=C5O[C@@H]([C@@](C)=C)C1,inactive
+O=C([O-])C(C(/C(CC([O-])=O)=C([C@@H](CCC([O-])=O)[C@@H]5C)\N=C5/C=C4\[N-]\C(C(C=C)=C4C)=C3)=N2)=C(C)/C2=C/C1=C(CC)C(C)=C/3[N-]1.[Na+].[Na+].[Na+].[Cu+2],inactive
+C1(=C(C=CC=C1N)N).[H]Cl.[H]Cl,inactive
+C1(=C2/C(C3=CC(S(=O)(=O)[O-])=CC=C3N2)=O)/C(C4=CC(S(=O)(=O)[O-])=CC=C4N1)=O.[Na+].[Na+],inactive
+O=[N+](CCC)[O-],inactive
+O=[W](=O)([O-])[O-].[Na+].[Na+],inactive
+C1(=C(C)C2OC(CCC=2C(=C1OC(=O)C)C)(CCCC(CCCC(CCCC(C)C)C)C)C)C,inactive