PREFERRED_NAME_DTXSID,CASRN_DTXSID,MAPPED_DTXSID,SMILES_MAPPED_DTXSID,SMILES_INDIVIDUAL_COMPONENT,FORMULA_INDIVIDUAL_COMPONENT,MONOISOTOPIC_MASS_DTXCID,INCHI_STRING_DTXCID,INCHIKEY_DTXCID,DTXCID_INDIVIDUAL_COMPONENT,QC_LEVEL,EXPOCAST_MEDIAN_EXPOSURE_PREDICTION_MG/KG-BW/DAY,TOXCAST_PERCENT_ACTIVE,NUMBER_OF_PUBMED_ARTICLES,PUBCHEM_DATA_SOURCES,DATA_SOURCES,CPDAT_COUNT,TOX21SL,ECOTOX,KEMIMARKET,MZCLOUD,NORMANSUSDAT
D-Nicotine,CASRN:25162-00-9,DTXSID0046351,CN1CCC[C@@H]1C1=CN=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,DSSTox_Low,0.000000119,0.473933649,1,46,26,-,1,1,-,-,-
L-3-(2'-Piperidyl)pyridine,CASRN:494-52-0,DTXSID9041607,C1CC[C@H](NC1)C1=CC=CN=C1,C1CCC(NC1)C1=CC=CN=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2",MTXSIJUGVMTTMU-UHFFFAOYSA-N,DTXCID50202491,DSSTox_Low,5.73E-08,0,270,50,49,-,1,1,1,1,1
"N'-(2,4-Dimethylphenyl)-N-methylformamidine",CASRN:33089-74-6,DTXSID1037696,CNC=NC1=CC=C(C)C=C1C,CNC=NC1=CC=C(C)C=C1C,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-8-4-5-10(9(2)6-8)12-7-11-3/h4-7H,1-3H3,(H,11,12)",JIIOLEGNERQDIP-UHFFFAOYSA-N,DTXCID9017696,DSSTox_High,5.43E-08,0.473933649,13,39,39,-,1,1,-,1,1
Nicotine,CASRN:54-11-5,DTXSID1020930,CN1CCC[C@H]1C1=CN=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,DSSTox_Low,0.000000708,2.489019034,22837,127,126,-,1,1,1,1,1
Nicotine sulfate,CASRN:65-30-5,DTXSID8021725,OS(O)(=O)=O.CN1CCC[C@H]1C1=CN=CC=C1.CN1CCC[C@H]1C1=CN=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,DSSTox_Low,0.000000161,2.638522427,-,16,43,-,1,1,-,-,-
Phenylpiperazine,CASRN:92-54-6,DTXSID8057855,C1CN(CCN1)C1=CC=CC=C1,C1CN(CCN1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2",YZTJYBJCZXZGCT-UHFFFAOYSA-N,DTXCID9031644,DSSTox_Low,-,4.545454545,100,135,41,-,1,1,1,1,1
Nicotine hydrochloride,CASRN:2820-51-1,DTXSID6020931,Cl.CN1CCC[C@H]1C1=CN=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,DSSTox_Low,-,-,-,15,11,-,-,-,-,-,-
DL-Nicotine,CASRN:22083-74-5,DTXSID3048154,CN1CCCC1C1=CN=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,DSSTox_High,-,-,-,-,22,-,-,-,-,1,1
Phenylhydrazone-2-butanone,CASRN:1129-62-0,DTXSID9051585,CC\\C(C)=N\\NC1=CC=CC=C1,CCC(C)N=NC1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-3-9(2)11-12-10-7-5-4-6-8-10/h4-9H,3H2,1-2H3",GOBXHRZJPKWGFI-UHFFFAOYSA-N,DTXCID201049423,DSSTox_Low,-,-,-,14,17,-,-,1,1,-,1
"Methanimidamide, N,N-dimethyl-N'-(2-methylphenyl)-",CASRN:10278-71-4,DTXSID4065020,CN(C)C=NC1=C(C)C=CC=C1,CN(C)C=NC1=C(C)C=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-9-6-4-5-7-10(9)11-8-12(2)3/h4-8H,1-3H3",VTJDEAHIKIEJET-UHFFFAOYSA-N,DTXCID5032737,Public_High,-,-,-,23,10,-,-,1,1,-,1
"Benzoic acid, 2-hydroxy-, compd. with 3-[(2S)-1-methyl-2-pyrrolidinyl]pyridine (1:1)",CASRN:29790-52-1,DTXSID5075319,OC(=O)C1=C(O)C=CC=C1.CN1CCC[C@H]1C1=CN=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_High,-,-,-,11,8,-,-,-,-,-,-
"Benzaldehyde, 4-propyl-, hydrazone",CASRN:93480-03-6,DTXSID3072957,CCCC1=CC=C(C=NN)C=C1,CCCC1=CC=C(CN=N)C=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-3-9-4-6-10(7-5-9)8-12-11/h4-7,11H,2-3,8H2,1H3",WCKRAJGMBAEBNM-UHFFFAOYSA-N,DTXCID401018573,Public_High,-,-,-,7,5,-,-,-,-,-,-
"Quinoxaline, 1,2,3,4-tetrahydro-6,7-dimethyl-",CASRN:10579-68-7,DTXSID40147347,CC1=CC2=C(NCCN2)C=C1C,CC1=CC2=C(NCCN2)C=C1C,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-7-5-9-10(6-8(7)2)12-4-3-11-9/h5-6,11-12H,3-4H2,1-2H3",DPSZEBZGBCWUBN-UHFFFAOYSA-N,DTXCID0069838,Public_Medium,-,-,-,21,3,-,-,-,-,-,-
"Piperazine, 1-phenyl-, hydrochloride",CASRN:2210-93-7,DTXSID40176612,Cl.C1CN(CCN1)C1=CC=CC=C1,C1CN(CCN1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2",YZTJYBJCZXZGCT-UHFFFAOYSA-N,DTXCID9031644,Public_Medium,-,-,100,58,10,-,-,-,-,-,-
"Quinoxaline, 1,2,3,4-tetrahydro-1,4-dimethyl-",CASRN:2427-06-7,DTXSID00179008,CN1CCN(C)C2=CC=CC=C12,CN1CCN(C)C2=CC=CC=C12,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-11-7-8-12(2)10-6-4-3-5-9(10)11/h3-6H,7-8H2,1-2H3",XGJGSZQCWARFIA-UHFFFAOYSA-N,DTXCID90101499,Public_Medium,-,-,-,14,3,-,-,-,-,-,-
4-Piperidylpyridine,CASRN:2767-90-0,DTXSID20182039,C1CCN(CC1)C1=CC=NC=C1,C1CCN(CC1)C1=CC=NC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-8-12(9-3-1)10-4-6-11-7-5-10/h4-7H,1-3,8-9H2",MTPBUCCXRGSDCR-UHFFFAOYSA-N,DTXCID80104530,Public_Medium,-,-,-,84,11,-,-,-,1,-,1
Anabasine dihydrochloride,CASRN:31945-06-9,DTXSID20185782,Cl.Cl.C1CC[C@H](NC1)C1=CN=CC=C1,C1CCC(NC1)C1=CC=CN=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2",MTXSIJUGVMTTMU-UHFFFAOYSA-N,DTXCID50202491,Public_Medium,-,-,-,5,4,-,-,-,-,-,-
N-(3-Pyridylmethyl)pyrrolidine,CASRN:370-09-2,DTXSID90190489,C(N1CCCC1)C1=CN=CC=C1,C(N1CCCC1)C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-7-12(6-1)9-10-4-3-5-11-8-10/h3-5,8H,1-2,6-7,9H2",YFCWBKBNFCDPDF-UHFFFAOYSA-N,DTXCID50112980,Public_Medium,-,-,3,31,10,-,-,-,-,-,-
"(S)-3-(2-Piperidyl)pyridine, compound with picric acid (1:2)",CASRN:37520-45-9,DTXSID30190963,C1CC[C@H](NC1)C1=CN=CC=C1.OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O.OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O,C1CCC(NC1)C1=CC=CN=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2",MTXSIJUGVMTTMU-UHFFFAOYSA-N,DTXCID50202491,Public_Medium,-,-,-,5,3,-,-,-,-,-,-
1-Phenylpiperazine dihydrochloride,CASRN:4004-95-9,DTXSID40193102,Cl.Cl.C1CN(CCN1)C1=CC=CC=C1,C1CN(CCN1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2",YZTJYBJCZXZGCT-UHFFFAOYSA-N,DTXCID9031644,Public_Medium,-,-,100,26,8,-,-,-,-,-,-
5-Methylenenonanedinitrile,CASRN:50592-61-5,DTXSID80198631,C=C(CCCC#N)CCCC#N,C=C(CCCC#N)CCCC#N,C10H14N2,162.1156985,InChI=1S/C10H14N2/c1-10(6-2-4-8-11)7-3-5-9-12/h1-7H2,KKWHJFKPVHVBSZ-UHFFFAOYSA-N,DTXCID40121122,Public_Medium,-,-,-,17,5,-,-,-,1,-,1
Semiamitraz chloride,CASRN:51550-40-4,DTXSID10199510,Cl.CNC=NC1=C(C)C=C(C)C=C1,CNC=NC1=CC=C(C)C=C1C,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-8-4-5-10(9(2)6-8)12-7-11-3/h4-7H,1-3H3,(H,11,12)",JIIOLEGNERQDIP-UHFFFAOYSA-N,DTXCID9017696,DSSTox_High,-,-,13,18,14,-,-,1,1,-,1
"5H-1-Pyrindine, 6,7-dihydro-4-amino-2,3-dimethyl-, hydrate",CASRN:62732-46-1,DTXSID20211813,CC1=C(C)C(N)=C2CCCC2=N1,CC1=C(C)C(N)=C2CCCC2=N1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-6-7(2)12-9-5-3-4-8(9)10(6)11/h3-5H2,1-2H3,(H2,11,12)",XCACCLNWIIMXHQ-UHFFFAOYSA-N,DTXCID50134304,Public_Medium,-,-,-,16,3,-,-,-,-,-,-
"Benzenecarboximidamide, N-ethyl-N'-methyl-, monohydrochloride",CASRN:64593-93-7,DTXSID90214836,Cl.CCN\\C(=N/C)C1=CC=CC=C1,CCN\\C(=N/C)c1ccccc1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-3-12-10(11-2)9-7-5-4-6-8-9/h4-8H,3H2,1-2H3,(H,11,12)",XPJYNRPRFVIUIH-UHFFFAOYSA-N,DTXCID10205185,Public_Medium,-,-,-,7,3,-,-,-,-,-,-
"Benzenecarboximidamide, N,N',4-trimethyl-, monohydrochloride",CASRN:64594-06-5,DTXSID80214840,Cl.CN\\C(=N/C)C1=CC=C(C)C=C1,CN\\C(=N/C)c1ccc(C)cc1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-8-4-6-9(7-5-8)10(11-2)12-3/h4-7H,1-3H3,(H,11,12)",NWPZITRZECKRAL-UHFFFAOYSA-N,DTXCID50205189,Public_Medium,-,-,-,7,3,-,-,-,-,-,-
"5,8-Dimethyl-1,2,3,4-tetrahydroquinoxaline",CASRN:66102-39-4,DTXSID80216309,CC1=C2NCCNC2=C(C)C=C1,CC1=C2NCCNC2=C(C)C=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-7-3-4-8(2)10-9(7)11-5-6-12-10/h3-4,11-12H,5-6H2,1-2H3",DJVBBBRKTTVZCV-UHFFFAOYSA-N,DTXCID30138800,Public_Medium,-,-,-,13,4,-,-,-,-,-,-
"Quinoxaline, 1,2,3,4-tetrahydro-1-ethyl-",CASRN:73855-46-6,DTXSID30224434,CCN1CCNC2=CC=CC=C12,CCN1CCNC2=CC=CC=C12,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-12-8-7-11-9-5-3-4-6-10(9)12/h3-6,11H,2,7-8H2,1H3",KIDFEKJWQHWALS-UHFFFAOYSA-N,DTXCID30146925,Public_Medium,-,-,-,28,3,-,-,-,-,-,-
"Iron, (ethanedioato(2-)-O,O')bis(1-phenylpiperazine-N(sup 1),N(sup 4))-",CASRN:75079-25-3,DTXSID10226052,[Fe++].[O-]C(=O)C([O-])=O.C1CN(CCN1)C1=CC=CC=C1.C1CN(CCN1)C1=CC=CC=C1,C1CN(CCN1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2",YZTJYBJCZXZGCT-UHFFFAOYSA-N,DTXCID9031644,Public_Medium,-,-,-,9,3,-,-,-,-,-,-
"Pyridine, 3-(1-methyl-2-pyrrolidinyl-4,4-t2)-, (R)-",CASRN:80604-52-0,DTXSID10230437,[3H]C1([3H])C[C@@H](N(C)C1)C1=CN=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Medium,-,-,-,7,3,-,-,-,-,-,-
p-Dimethylaminophenyl aziridine,CASRN:82027-08-5,DTXSID30231542,CN(C)C1=CC=C(C=C1)N1CC1,CN(C)C1=CC=C(C=C1)N1CC1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-11(2)9-3-5-10(6-4-9)12-7-8-12/h3-6H,7-8H2,1-2H3",FSTZGHIBMJDRNA-UHFFFAOYSA-N,DTXCID60154033,Public_Medium,-,-,-,8,3,-,-,-,-,-,-
(S)-Nicotine dicitrate,CASRN:88660-51-9,DTXSID20237235,CN1CCC[C@H]1C1=CN=CC=C1.OC(=O)CC(O)(CC(O)=O)C(O)=O.OC(=O)CC(O)(CC(O)=O)C(O)=O,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Medium,-,-,-,4,6,-,-,-,1,-,1
2-Phenylpiperazine,CASRN:5271-26-1,DTXSID60290682,C1CNC(CN1)C1=CC=CC=C1,C1CNC(CN1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-5,10-12H,6-8H2",RIMRLBGNCLMSNH-UHFFFAOYSA-N,DTXCID80862360,Public_Low,-,-,-,87,2,-,-,-,-,-,-
1-phenylpiperazine benzoate(1:1),CASRN:23245-25-2,DTXSID00293011,OC(=O)C1=CC=CC=C1.C1CN(CCN1)C1=CC=CC=C1,C1CN(CCN1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2",YZTJYBJCZXZGCT-UHFFFAOYSA-N,DTXCID9031644,Public_Low,-,-,-,12,2,-,-,-,-,-,-
4-aminobenzoic acid- 1-phenylpiperazine(1:1),CASRN:23245-22-9,DTXSID60293012,NC1=CC=C(C=C1)C(O)=O.C1CN(CCN1)C1=CC=CC=C1,C1CN(CCN1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2",YZTJYBJCZXZGCT-UHFFFAOYSA-N,DTXCID9031644,Public_Low,-,-,-,10,2,-,-,-,-,-,-
undecanoic acid- 1-phenylpiperazine(1:1),CASRN:23174-84-7,DTXSID40293015,C1CN(CCN1)C1=CC=CC=C1.CCCCCCCCCCC(O)=O,C1CN(CCN1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2",YZTJYBJCZXZGCT-UHFFFAOYSA-N,DTXCID9031644,Public_Low,-,-,-,11,2,-,-,-,-,-,-
"2,4,6-trinitrophenol- 1-phenylpiperazine(1:1)",CASRN:28004-83-3,DTXSID50293046,C1CN(CCN1)C1=CC=CC=C1.OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O,C1CN(CCN1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2",YZTJYBJCZXZGCT-UHFFFAOYSA-N,DTXCID9031644,Public_Low,-,-,-,12,2,-,-,-,-,-,-
Pentafluoropropanoic acid--1-phenylpiperazine (1/1),CASRN:893-87-8,DTXSID40293631,OC(=O)C(F)(F)C(F)(F)F.C1CN(CCN1)C1=CC=CC=C1,C1CN(CCN1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2",YZTJYBJCZXZGCT-UHFFFAOYSA-N,DTXCID9031644,Public_Low,-,-,-,9,2,-,-,-,-,-,-
"3,5,6-trichloro-2,2,3,4,4,5,6,6-octafluorohexanoic acid- 1-phenylpiperazine(1:1)",CASRN:1511-42-8,DTXSID00293632,C1CN(CCN1)C1=CC=CC=C1.OC(=O)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)Cl,C1CN(CCN1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2",YZTJYBJCZXZGCT-UHFFFAOYSA-N,DTXCID9031644,Public_Low,-,-,-,10,2,-,-,-,-,-,-
pentadecafluorooctanoic acid- 1-phenylpiperazine(1:1),CASRN:1514-68-7,DTXSID60293633,C1CN(CCN1)C1=CC=CC=C1.OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,C1CN(CCN1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2",YZTJYBJCZXZGCT-UHFFFAOYSA-N,DTXCID9031644,Public_Low,-,-,-,11,2,-,-,-,-,-,-
"1-phenylpiperazine; 2,2,3,3,4,4,5,5,6,6,6-undecafluorohexanoic acid",CASRN:985-60-4,DTXSID20293634,C1CN(CCN1)C1=CC=CC=C1.OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F,C1CN(CCN1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2",YZTJYBJCZXZGCT-UHFFFAOYSA-N,DTXCID9031644,Public_Low,-,-,-,9,2,-,-,-,-,-,-
heptafluorobutanoic acid- 1-phenylpiperazine(1:1),CASRN:2263-11-8,DTXSID80293635,C1CN(CCN1)C1=CC=CC=C1.OC(=O)C(F)(F)C(F)(F)C(F)(F)F,C1CN(CCN1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2",YZTJYBJCZXZGCT-UHFFFAOYSA-N,DTXCID9031644,Public_Low,-,-,-,10,2,-,-,-,-,-,-
1-phenylpiperazine trifluoroacetate(1:1),CASRN:1511-32-6,DTXSID40293636,OC(=O)C(F)(F)F.C1CN(CCN1)C1=CC=CC=C1,C1CN(CCN1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2",YZTJYBJCZXZGCT-UHFFFAOYSA-N,DTXCID9031644,Public_Low,-,-,-,10,2,-,-,-,-,-,-
hydroxyacetic acid- 1-phenylpiperazine(1:1),CASRN:23168-20-9,DTXSID30296631,OCC(O)=O.C1CN(CCN1)C1=CC=CC=C1,C1CN(CCN1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2",YZTJYBJCZXZGCT-UHFFFAOYSA-N,DTXCID9031644,Public_Low,-,-,-,11,2,-,-,-,-,-,-
4-hydroxybenzoic acid- 1-phenylpiperazine(1:1),CASRN:23168-25-4,DTXSID90296632,OC(=O)C1=CC=C(O)C=C1.C1CN(CCN1)C1=CC=CC=C1,C1CN(CCN1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2",YZTJYBJCZXZGCT-UHFFFAOYSA-N,DTXCID9031644,Public_Low,-,-,-,12,2,-,-,-,-,-,-
phenylacetic acid- 1-phenylpiperazine(1:1),CASRN:23245-04-7,DTXSID50296633,OC(=O)CC1=CC=CC=C1.C1CN(CCN1)C1=CC=CC=C1,C1CN(CCN1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2",YZTJYBJCZXZGCT-UHFFFAOYSA-N,DTXCID9031644,Public_Low,-,-,-,11,2,-,-,-,-,-,-
2-benzamidoacetic acid; 1-phenylpiperazine,CASRN:23168-21-0,DTXSID10296634,C1CN(CCN1)C1=CC=CC=C1.OC(=O)CNC(=O)C1=CC=CC=C1,C1CN(CCN1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2",YZTJYBJCZXZGCT-UHFFFAOYSA-N,DTXCID9031644,Public_Low,-,-,-,10,2,-,-,-,-,-,-
tetradecanoic acid- 1-phenylpiperazine(1:1),CASRN:23246-65-3,DTXSID70296635,C1CN(CCN1)C1=CC=CC=C1.CCCCCCCCCCCCCC(O)=O,C1CN(CCN1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2",YZTJYBJCZXZGCT-UHFFFAOYSA-N,DTXCID9031644,Public_Low,-,-,-,10,2,-,-,-,-,-,-
"2-(2,4-dichlorophenoxy)acetic acid; 1-phenylpiperazine",CASRN:26260-05-9,DTXSID20325883,C1CN(CCN1)C1=CC=CC=C1.OC(=O)COC1=C(Cl)C=C(Cl)C=C1,C1CN(CCN1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2",YZTJYBJCZXZGCT-UHFFFAOYSA-N,DTXCID9031644,Public_Low,-,-,-,7,2,-,-,-,-,-,-
"N-methyl-3,4-dihydro-1H-isoquinolin-2-amine",CASRN:94314-66-6,DTXSID60328358,CNN1CCC2=CC=CC=C2C1,CNN1CCC2=CC=CC=C2C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-11-12-7-6-9-4-2-3-5-10(9)8-12/h2-5,11H,6-8H2,1H3",FKSNFGGLYGSUSO-UHFFFAOYSA-N,DTXCID90279465,Public_Low,-,-,-,15,2,-,-,-,-,-,-
"Formamidine, N,N-dimethyl-N'-m-tolyl-",CASRN:2305-75-1,DTXSID50335218,CN(C)\\C=N\\C1=CC=CC(C)=C1,CN(C)C=NC1=CC=CC(C)=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-9-5-4-6-10(7-9)11-8-12(2)3/h4-8H,1-3H3",NCXQXIRXTWIUDZ-UHFFFAOYSA-N,DTXCID801067239,Public_Low,-,-,-,13,5,-,-,1,-,-,-
"N'-Phenyl-N,N-dimethyl-acetamidine",CASRN:4023-12-5,DTXSID00335465,CN(C)C(\\C)=N\\C1=CC=CC=C1,CN(C)C(C)=NC1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-9(12(2)3)11-10-7-5-4-6-8-10/h4-8H,1-3H3",ARYJQIYRCNBDOU-UHFFFAOYSA-N,DTXCID401067251,Public_Low,-,-,-,13,1,-,-,-,-,-,-
"2-Butyl-2-methyl-1,1-cyclopropanedicarbonitrile",CASRN:16738-89-9,DTXSID50337611,CCCCC1(C)CC1(C#N)C#N,CCCCC1(C)CC1(C#N)C#N,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-3-4-5-9(2)6-10(9,7-11)8-12/h3-6H2,1-2H3",YLNNLLQHQHTGKM-UHFFFAOYSA-N,DTXCID10966183,Public_Low,-,-,-,9,3,-,-,1,-,-,-
3-(1-Methyl-3-pyrrolidinyl)pyridine,CASRN:92118-22-4,DTXSID50337914,CN1CCC(C1)C1=CN=CC=C1,CN1CCC(C1)C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-6-4-10(8-12)9-3-2-5-11-7-9/h2-3,5,7,10H,4,6,8H2,1H3",UEIZUEWXLJOVLD-UHFFFAOYSA-N,DTXCID00966314,Public_Low,-,-,-,22,2,-,-,-,-,-,-
"2-cyclopenta-2,4-dien-1-ylidene-1,3-dimethylimidazolidine",CASRN:81541-00-6,DTXSID70348643,CN1CCN(C)C1=C1C=CC=C1,CN1CCN(C)C1=C1C=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-11-7-8-12(2)10(11)9-5-3-4-6-9/h3-6H,7-8H2,1-2H3",QEECQVPPUAOIGW-UHFFFAOYSA-N,DTXCID00299715,Public_Low,-,-,-,8,2,-,-,-,-,-,-
4-(pyrrolidin-1-yl)aniline,CASRN:2632-65-7,DTXSID10355614,NC1=CC=C(C=C1)N1CCCC1,NC1=CC=C(C=C1)N1CCCC1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h3-6H,1-2,7-8,11H2",URAARCWOADCWLA-UHFFFAOYSA-N,DTXCID40306674,Public_Low,-,-,-,75,2,-,-,-,-,-,-
2-piperidin-1-ylpyridine,CASRN:68654-52-4,DTXSID50355855,C1CCN(CC1)C1=CC=CC=N1,C1CCN(CC1)C1=CC=CC=N1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-4-8-12(9-5-1)10-6-2-3-7-11-10/h2-3,6-7H,1,4-5,8-9H2",AJEUJXWLOADTKA-UHFFFAOYSA-N,DTXCID60306914,Public_Low,-,-,-,41,4,-,-,-,-,-,-
2-pyrrolidin-1-ylaniline,CASRN:21627-58-7,DTXSID60359086,NC1=CC=CC=C1N1CCCC1,NC1=CC=CC=C1N1CCCC1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-9-5-1-2-6-10(9)12-7-3-4-8-12/h1-2,5-6H,3-4,7-8,11H2",BFPUBGCFJMIZDF-UHFFFAOYSA-N,DTXCID50310141,Public_Low,-,-,-,62,2,-,-,-,-,-,-
"2-(2,3-dihydro-1H-indol-1-yl)ethanamine",CASRN:46006-95-5,DTXSID30360068,NCCN1CCC2=CC=CC=C12,NCCN1CCC2=CC=CC=C12,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-6-8-12-7-5-9-3-1-2-4-10(9)12/h1-4H,5-8,11H2",HNLHKBSAQALACU-UHFFFAOYSA-N,DTXCID20311120,Public_Low,-,-,-,46,1,-,-,-,-,-,-
4-(piperidin-4-yl)pyridine,CASRN:581-45-3,DTXSID40360731,C1CC(CCN1)C1=CC=NC=C1,C1CC(CCN1)C1=CC=NC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-5-11-6-2-9(1)10-3-7-12-8-4-10/h1-2,5-6,10,12H,3-4,7-8H2",RGBWBVGQZFJTEO-UHFFFAOYSA-N,DTXCID80311782,Public_Low,-,-,-,65,2,-,-,-,-,-,-
3-(pyrrolidin-1-yl)aniline,CASRN:115833-93-7,DTXSID90363999,NC1=CC(=CC=C1)N1CCCC1,NC1=CC(=CC=C1)N1CCCC1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-9-4-3-5-10(8-9)12-6-1-2-7-12/h3-5,8H,1-2,6-7,11H2",DNPBFTQZONVQDX-UHFFFAOYSA-N,DTXCID00315045,Public_Low,-,-,-,67,1,-,-,-,-,-,-
"(5,6,7,8-Tetrahydronaphthalen-1-yl)hydrazine",CASRN:85790-17-6,DTXSID60377563,NNC1=CC=CC2=C1CCCC2,NNC1=CC=CC2=C1CCCC2,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-12-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,12H,1-2,4,6,11H2",UFWAWZMOTPGQJU-UHFFFAOYSA-N,DTXCID20328591,Public_Low,-,-,-,22,1,-,-,-,-,-,-
"1,2,3,4,5,6-hexahydro-1,6-benzodiazocine",CASRN:39161-58-5,DTXSID80378072,C1CCNC2=CC=CC=C2NC1,C1CCNC2=CC=CC=C2NC1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-6-10-9(5-1)11-7-3-4-8-12-10/h1-2,5-6,11-12H,3-4,7-8H2",RFRZYBRMESKXKP-UHFFFAOYSA-N,DTXCID80329100,Public_Low,-,-,-,26,2,-,-,-,-,-,-
"2-(2,5-dimethylphenyl)ethanimidamide",CASRN:374064-83-2,DTXSID80392617,CC1=CC(CC(N)=N)=C(C)C=C1,CC1=CC(CC(N)=N)=C(C)C=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-7-3-4-8(2)9(5-7)6-10(11)12/h3-5H,6H2,1-2H3,(H3,11,12)",VLLICFQUTUMOSR-UHFFFAOYSA-N,DTXCID90343478,Public_Low,-,-,-,20,1,-,-,-,-,-,-
2-(4-methylpyrrolidin-2-yl)pyridine,CASRN:603089-88-9,DTXSID90392825,CC1CNC(C1)C1=CC=CC=N1,CC1CNC(C1)C1=CC=CC=N1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-8-6-10(12-7-8)9-4-2-3-5-11-9/h2-5,8,10,12H,6-7H2,1H3",VWDIKMSZQOMQLZ-UHFFFAOYSA-N,DTXCID30822257,Public_Low,-,-,-,13,1,-,-,-,-,-,-
"2-(3,5-dimethylphenyl)ethanimidamide",CASRN:374064-84-3,DTXSID70393577,CC1=CC(CC(N)=N)=CC(C)=C1,CC1=CC(CC(N)=N)=CC(C)=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-7-3-8(2)5-9(4-7)6-10(11)12/h3-5H,6H2,1-2H3,(H3,11,12)",PJVBSBPSXZOUEQ-UHFFFAOYSA-N,DTXCID60344437,Public_Low,-,-,-,16,1,-,-,-,-,-,-
3-(Piperidin-4-yl)pyridine,CASRN:161609-89-8,DTXSID50405602,C1CC(CCN1)C1=CN=CC=C1,C1CC(CCN1)C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-10(8-12-5-1)9-3-6-11-7-4-9/h1-2,5,8-9,11H,3-4,6-7H2",BRBPGGIIQVBPSB-UHFFFAOYSA-N,DTXCID20356455,Public_Low,-,-,-,33,1,-,-,-,-,-,-
"2-(3,4-dimethylphenyl)ethanimidamide",CASRN:6511-96-2,DTXSID90407266,CC1=C(C)C=C(CC(N)=N)C=C1,CC1=C(C)C=C(CC(N)=N)C=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-7-3-4-9(5-8(7)2)6-10(11)12/h3-5H,6H2,1-2H3,(H3,11,12)",HDWGUBKBOQWZIY-UHFFFAOYSA-N,DTXCID40358118,Public_Low,-,-,-,16,2,-,-,-,-,-,-
"2-(2,4-dimethylphenyl)ethanimidamide",CASRN:802269-53-0,DTXSID90407387,CC1=CC(C)=C(CC(N)=N)C=C1,CC1=CC(C)=C(CC(N)=N)C=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-7-3-4-9(6-10(11)12)8(2)5-7/h3-5H,6H2,1-2H3,(H3,11,12)",CBGUKTNAZXFTFR-UHFFFAOYSA-N,DTXCID40358239,Public_Low,-,-,-,20,1,-,-,-,-,-,-
"2-(2,6-dimethylphenyl)ethanimidamide",CASRN:374064-82-1,DTXSID20408180,CC1=CC=CC(C)=C1CC(N)=N,CC1=CC=CC(C)=C1CC(N)=N,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-7-4-3-5-8(2)9(7)6-10(11)12/h3-5H,6H2,1-2H3,(H3,11,12)",GKBVDCZWZFBZIE-UHFFFAOYSA-N,DTXCID70359032,Public_Low,-,-,-,17,1,-,-,-,-,-,-
"3-methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine",CASRN:133405-86-4,DTXSID60415898,CC1CNC2=CC=CC=C2NC1,CC1CNC2=CC=CC=C2NC1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-8-6-11-9-4-2-3-5-10(9)12-7-8/h2-5,8,11-12H,6-7H2,1H3",BGDQHQHPELLNKQ-UHFFFAOYSA-N,DTXCID30366747,Public_Low,-,-,-,19,2,-,-,-,-,-,-
"2H-Quinolizine-1-carbonitrile, 3,4,6,7,8,9-hexahydro-",CASRN:145801-19-0,DTXSID00415998,N#CC1=C2CCCCN2CCC1,N#CC1=C2CCCCN2CCC1,C10H14N2,162.1156985,InChI=1S/C10H14N2/c11-8-9-4-3-7-12-6-2-1-5-10(9)12/h1-7H2,VDHOBIAQGHQZPW-UHFFFAOYSA-N,DTXCID70366847,Public_Low,-,-,-,13,2,-,-,-,-,-,-
NSC110641,CASRN:23245-37-6,DTXSID80419030,OC(=O)\\C=C/C1=CC=CC=C1.C1CN(CCN1)C1=CC=CC=C1,C1CN(CCN1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2",YZTJYBJCZXZGCT-UHFFFAOYSA-N,DTXCID9031644,Public_Low,-,-,-,6,2,-,-,-,-,-,-
4-Isopropylbenzamidine,CASRN:743417-63-2,DTXSID30424871,CC(C)C1=CC=C(C=C1)C(N)=N,CC(C)C1=CC=C(C=C1)C(N)=N,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-7(2)8-3-5-9(6-4-8)10(11)12/h3-7H,1-2H3,(H3,11,12)",GIJOFUJDYGKZGG-UHFFFAOYSA-N,DTXCID00375705,Public_Low,-,-,-,19,1,-,-,-,-,-,-
"2-methyl-5,6,7,8-tetrahydroquinolin-8-ylamine",CASRN:502612-52-4,DTXSID00431810,CC1=NC2=C(CCCC2N)C=C1,CC1=NC2=C(CCCC2N)C=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-7-5-6-8-3-2-4-9(11)10(8)12-7/h5-6,9H,2-4,11H2,1H3",IXOVJHWQNJYEPQ-UHFFFAOYSA-N,DTXCID80837553,Public_Low,-,-,-,13,1,-,-,-,-,-,-
"(R)-N-Methyl-1,2,3,4-tetrahydroquinolin-3-amine",CASRN:166742-75-2,DTXSID60432868,CN[C@H]1CNC2=CC=CC=C2C1,CNC1CNC2=CC=CC=C2C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-11-9-6-8-4-2-3-5-10(8)12-7-9/h2-5,9,11-12H,6-7H2,1H3",IQDMUSPYIULEGD-UHFFFAOYSA-N,DTXCID70837941,Public_Low,-,-,-,25,1,-,-,-,-,-,-
1-benzylazetidin-3-amine,CASRN:223381-58-6,DTXSID50436618,NC1CN(CC2=CC=CC=C2)C1,NC1CN(CC2=CC=CC=C2)C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-10-7-12(8-10)6-9-4-2-1-3-5-9/h1-5,10H,6-8,11H2",KLUJUFXZZAOGQQ-UHFFFAOYSA-N,DTXCID80387442,Public_Low,-,-,-,53,1,-,-,-,-,-,-
2-(Piperidin-4-yl)pyridine,CASRN:30532-37-7,DTXSID00438829,C1CC(CCN1)C1=CC=CC=N1,C1CC(CCN1)C1=CC=CC=N1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-6-12-10(3-1)9-4-7-11-8-5-9/h1-3,6,9,11H,4-5,7-8H2",KVNQCSIGNRPHHM-UHFFFAOYSA-N,DTXCID10389651,Public_Low,-,-,-,45,2,-,-,-,-,-,-
"1(2H)-Quinolinamine, 3,4-dihydro-6-methyl-",CASRN:66556-07-8,DTXSID10438830,CC1=CC2=C(C=C1)N(N)CCC2,CC1=CC2=C(C=C1)N(N)CCC2,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-8-4-5-10-9(7-8)3-2-6-12(10)11/h4-5,7H,2-3,6,11H2,1H3",FSTBMVYMVIWCKK-UHFFFAOYSA-N,DTXCID70389652,Public_Low,-,-,-,11,1,-,-,-,-,-,-
"9-Methyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine",CASRN:195986-82-4,DTXSID40442349,CC1=C2NCCNCC2=CC=C1,CC1=C2NCCNCC2=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-8-3-2-4-9-7-11-5-6-12-10(8)9/h2-4,11-12H,5-7H2,1H3",LCZRNBVXQPCCDG-UHFFFAOYSA-N,DTXCID90393170,Public_Low,-,-,-,41,2,-,-,-,-,-,-
DL-Nicotine-d3,CASRN:69980-24-1,DTXSID80442666,[2H]C([2H])([2H])N1CCCC1C1=CN=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,18,2,-,-,-,-,-,-
"6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-3-amine",CASRN:178209-28-4,DTXSID10444274,NC1=CC2=C(CCCCC2)N=C1,NC1=CC2=C(CCCCC2)N=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-9-6-8-4-2-1-3-5-10(8)12-7-9/h6-7H,1-5,11H2",GFMPWQOFIOWFIV-UHFFFAOYSA-N,DTXCID10395095,Public_Low,-,-,-,22,1,-,-,-,-,-,-
"Naphthalenediamine, 1,2,3,4-tetrahydro-",CASRN:104993-83-1,DTXSID70450775,NC1CCC2=CC=CC=C2C1N,NC1CCC2=CC=CC=C2C1N,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9-10H,5-6,11-12H2",VLSRPVYKKHYHON-UHFFFAOYSA-N,DTXCID90996165,Public_Low,-,-,-,14,1,-,-,-,-,-,-
"1-(1,2,3,4-Tetrahydroisoquinolin-3-yl)methanamine",CASRN:147557-04-8,DTXSID20452926,NCC1CC2=CC=CC=C2CN1,NCC1CC2=CC=CC=C2CN1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-4,10,12H,5-7,11H2",QQDYNQIMTRERLH-UHFFFAOYSA-N,DTXCID10882511,Public_Low,-,-,-,34,1,-,-,-,-,-,-
"1-Butanamine, N-(3-pyridinylmethylene)-",CASRN:55019-90-4,DTXSID30456096,CCCC\\N=C\\C1=CN=CC=C1,CCCCN=CC1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-3-6-11-8-10-5-4-7-12-9-10/h4-5,7-9H,2-3,6H2,1H3",SJDRSAPTSDCMCW-UHFFFAOYSA-N,DTXCID801076501,Public_Low,-,-,-,10,1,-,-,-,-,-,-
1-benzylimidazolidine,CASRN:630126-04-4,DTXSID40458642,C(N1CCNC1)C1=CC=CC=C1,C(N1CCNC1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-5,11H,6-9H2",JXOLTCZDUFJFRL-UHFFFAOYSA-N,DTXCID30409461,Public_Low,-,-,-,21,1,-,-,-,-,-,-
"1-Methyl-1,2,3,4-tetrahydroquinolin-7-amine",CASRN:304690-94-6,DTXSID10458992,CN1CCCC2=C1C=C(N)C=C2,CN1CCCC2=C1C=C(N)C=C2,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-6-2-3-8-4-5-9(11)7-10(8)12/h4-5,7H,2-3,6,11H2,1H3",OMGAOBAAEGMMTF-UHFFFAOYSA-N,DTXCID40409811,Public_Low,-,-,-,66,3,-,-,-,-,-,-
1-phenylpyrrolidin-3-amine,CASRN:18471-41-5,DTXSID00464663,NC1CCN(C1)C1=CC=CC=C1,NC1CCN(C1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-9-6-7-12(8-9)10-4-2-1-3-5-10/h1-5,9H,6-8,11H2",SFMJIPNTKASYFH-UHFFFAOYSA-N,DTXCID601005631,Public_Low,-,-,-,38,1,-,-,-,-,-,-
N-phenylpyrrolidin-3-amine,CASRN:17741-13-8,DTXSID30465007,C1CC(CN1)NC1=CC=CC=C1,C1CC(CN1)NC1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-9(5-3-1)12-10-6-7-11-8-10/h1-5,10-12H,6-8H2",AAFUQJGCJNFFRT-UHFFFAOYSA-N,DTXCID001005714,Public_Low,-,-,-,34,1,-,-,-,-,-,-
3-(Piperidin-1-yl)pyridine,CASRN:90872-73-4,DTXSID70467949,C1CCN(CC1)C1=CN=CC=C1,C1CCN(CC1)C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-7-12(8-3-1)10-5-4-6-11-9-10/h4-6,9H,1-3,7-8H2",RWNRPQYVWJSAPE-UHFFFAOYSA-N,DTXCID60418768,Public_Low,-,-,-,29,1,-,-,-,-,-,-
"1-Methyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine",CASRN:32900-36-0,DTXSID30474811,CN1CCCNC2=CC=CC=C12,CN1CCCNC2=CC=CC=C12,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-8-4-7-11-9-5-2-3-6-10(9)12/h2-3,5-6,11H,4,7-8H2,1H3",QTUHHZFSIDSGRC-UHFFFAOYSA-N,DTXCID70425625,Public_Low,-,-,-,27,1,-,-,-,-,-,-
"(1Z)-N,N'-Dimethyl(phenyl)ethanimidamide",CASRN:52066-17-8,DTXSID90490895,CN\\C(CC1=CC=CC=C1)=N/C,CN\\C(CC1=CC=CC=C1)=N/C,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-11-10(12-2)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,11,12)",XCSUORFQYDEOHR-UHFFFAOYSA-N,DTXCID30441705,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"1,5-Dimethyl-1,2,3,4-tetrahydro-1,6-naphthyridine",CASRN:61542-06-1,DTXSID40492243,CN1CCCC2=C1C=CN=C2C,CN1CCCC2=C1C=CN=C2C,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-8-9-4-3-7-12(2)10(9)5-6-11-8/h5-6H,3-4,7H2,1-2H3",ZDYQEOVPCHWZAX-UHFFFAOYSA-N,DTXCID40443053,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"3-Methyl-5,6,7,8-tetrahydroquinolin-8-amine",CASRN:62455-48-5,DTXSID40493891,CC1=CC2=C(N=C1)C(N)CCC2,CC1=CC2=C(N=C1)C(N)CCC2,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-7-5-8-3-2-4-9(11)10(8)12-6-7/h5-6,9H,2-4,11H2,1H3",HCOWPHZNMIYZAN-UHFFFAOYSA-N,DTXCID50968045,Public_Low,-,-,-,10,1,-,-,-,-,-,-
"5,7-Dimethyl-1,2,3,4-tetrahydro-1,8-naphthyridine",CASRN:65541-95-9,DTXSID20495257,CC1=NC2=C(CCCN2)C(C)=C1,CC1=NC2=C(CCCN2)C(C)=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-7-6-8(2)12-10-9(7)4-3-5-11-10/h6H,3-5H2,1-2H3,(H,11,12)",DXIRHDQUVVQLGI-UHFFFAOYSA-N,DTXCID20446067,Public_Low,-,-,-,25,2,-,-,-,-,-,-
"N,N-Dimethyl-4-[(E)-(methylimino)methyl]aniline",CASRN:877-79-2,DTXSID80498840,C\\N=C\\C1=CC=C(C=C1)N(C)C,CN=CC1=CC=C(C=C1)N(C)C,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-11-8-9-4-6-10(7-5-9)12(2)3/h4-8H,1-3H3",VKLCQRQREREZTC-UHFFFAOYSA-N,DTXCID001077331,Public_Low,-,-,-,10,1,-,-,-,-,-,-
N'-Propylbenzenecarboximidamide,CASRN:22286-00-6,DTXSID40499691,CCC\\N=C(/N)C1=CC=CC=C1,CCC\\N=C(/N)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,11,12)",YYPCTPUYQVEKGN-UHFFFAOYSA-N,DTXCID00450501,Public_Low,-,-,-,9,1,-,-,-,-,-,-
"2-(2,3-Dihydro-1H-indol-3-yl)ethan-1-amine",CASRN:13078-91-6,DTXSID80505861,NCCC1CNC2=CC=CC=C12,NCCC1CNC2=CC=CC=C12,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,8,12H,5-7,11H2",ZIMNJHFFARFXNK-UHFFFAOYSA-N,DTXCID70971192,Public_Low,-,-,-,37,3,-,-,-,-,-,-
3-Methyl-5-(pyrrolidin-2-yl)pyridine,CASRN:126741-11-5,DTXSID00508854,CC1=CC(=CN=C1)C1CCCN1,CC1=CC(=CN=C1)C1CCCN1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-8-5-9(7-11-6-8)10-3-2-4-12-10/h5-7,10,12H,2-4H2,1H3",ROFRZRRVJWMLMU-UHFFFAOYSA-N,DTXCID70972043,Public_Low,-,-,-,11,1,-,-,-,-,-,-
2-Methyl-5-(pyrrolidin-2-yl)pyridine,CASRN:90872-72-3,DTXSID60508855,CC1=NC=C(C=C1)C1CCCN1,CC1=NC=C(C=C1)C1CCCN1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-8-4-5-9(7-12-8)10-3-2-6-11-10/h4-5,7,10-11H,2-3,6H2,1H3",WZVVISVPTUREQN-UHFFFAOYSA-N,DTXCID30972044,Public_Low,-,-,-,26,2,-,-,-,-,-,-
"2-Methyl-1,2,3,4-tetrahydroisoquinolin-7-amine",CASRN:14097-40-6,DTXSID50514667,CN1CCC2=C(C1)C=C(N)C=C2,CN1CCC2=C(C1)C=C(N)C=C2,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-5-4-8-2-3-10(11)6-9(8)7-12/h2-3,6H,4-5,7,11H2,1H3",VRKLIVSHUQSRNF-UHFFFAOYSA-N,DTXCID60465474,Public_Low,-,-,-,25,1,-,-,-,-,-,-
"N,N-Dimethyl(phenyl)ethanimidamide",CASRN:56776-16-0,DTXSID90515017,CN(C)C(=N)CC1=CC=CC=C1,CN(C)C(=N)CC1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12(2)10(11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3",VEHZLOXNVVKFAG-UHFFFAOYSA-N,DTXCID80973723,Public_Low,-,-,-,6,1,-,-,-,-,-,-
"1,4,7-Trimethyl-4,5-dihydro-1H-pyrrolo[2,3-c]pyridine",CASRN:87870-16-4,DTXSID60521463,CC1CN=C(C)C2=C1C=CN2C,CC1CN=C(C)C2=C1C=CN2C,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-7-6-11-8(2)10-9(7)4-5-12(10)3/h4-5,7H,6H2,1-3H3",FNZXGIBVMHUJBP-UHFFFAOYSA-N,DTXCID20975827,Public_Low,-,-,-,5,1,-,-,-,-,-,-
"1,2,3-Trimethyl-2,3-dihydro-1H-benzimidazole",CASRN:3652-99-1,DTXSID50541372,CC1N(C)C2=CC=CC=C2N1C,CC1N(C)C2=CC=CC=C2N1C,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-8-11(2)9-6-4-5-7-10(9)12(8)3/h4-8H,1-3H3",RVBVMCLABNKDQO-UHFFFAOYSA-N,DTXCID10492159,Public_Low,-,-,-,9,1,-,-,-,-,-,-
"2-Methyl-1,2,3,4-tetrahydroisoquinolin-8-amine",CASRN:14788-34-2,DTXSID90543052,CN1CCC2=C(C1)C(N)=CC=C2,CN1CCC2=C(C1)C(N)=CC=C2,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-6-5-8-3-2-4-10(11)9(8)7-12/h2-4H,5-7,11H2,1H3",PXAVAZKTFFJJEU-UHFFFAOYSA-N,DTXCID60493838,Public_Low,-,-,-,22,1,-,-,-,-,-,-
"2,3,4,5-Tetrahydro-1H-3-benzazepin-7-amine",CASRN:107393-73-7,DTXSID60546777,NC1=CC2=C(CCNCC2)C=C1,NC1=CC2=C(CCNCC2)C=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-10-2-1-8-3-5-12-6-4-9(8)7-10/h1-2,7,12H,3-6,11H2",LOXPKSAIAHLVML-UHFFFAOYSA-N,DTXCID90497561,Public_Low,-,-,-,35,1,-,-,-,-,-,-
2-(Piperidin-3-yl)pyridine,CASRN:40864-10-6,DTXSID80560233,C1CNCC(C1)C1=CC=CC=N1,C1CNCC(C1)C1=CC=CC=N1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h1-2,5,7,9,11H,3-4,6,8H2",ZCEKZDKAGHJNRD-UHFFFAOYSA-N,DTXCID70944003,Public_Low,-,-,-,32,2,-,-,-,-,-,-
"1,2,3,4-Tetrahydronaphthalene-2,7-diamine",CASRN:103393-75-5,DTXSID70564184,NC1CCC2=C(C1)C=C(N)C=C2,NC1CCC2=CC=C(N)C=C2C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5,10H,2,4,6,11-12H2",FISUQAVKGARTJH-UHFFFAOYSA-N,DTXCID00945008,Public_Low,-,-,-,17,1,-,-,-,-,-,-
2-Phenylhexahydropyrimidine,CASRN:183659-10-1,DTXSID50570763,C1CNC(NC1)C1=CC=CC=C1,C1CNC(NC1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-5-9(6-3-1)10-11-7-4-8-12-10/h1-3,5-6,10-12H,4,7-8H2",OYJVCTIHNXAJQA-UHFFFAOYSA-N,DTXCID70521535,Public_Low,-,-,-,6,1,-,-,-,-,-,-
"1,2,3,4-Tetrahydronaphthalene-1,5-diamine",CASRN:20351-50-2,DTXSID50573138,NC1CCCC2=C1C=CC=C2N,NC1CCCC2=C(N)C=CC=C12,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1,3,5,10H,2,4,6,11-12H2",NRFAHLRZAHGETL-UHFFFAOYSA-N,DTXCID30947030,Public_Low,-,-,-,9,1,-,-,-,-,-,-
"(1,2,3,4-Tetrahydronaphthalen-2-yl)hydrazine",CASRN:1743-07-3,DTXSID00576533,NNC1CCC2=CC=CC=C2C1,NNC1CCC2=CC=CC=C2C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-12-10-6-5-8-3-1-2-4-9(8)7-10/h1-4,10,12H,5-7,11H2",DDYZUEUSICJQGM-UHFFFAOYSA-N,DTXCID00947921,Public_Low,-,-,-,16,1,-,-,-,-,-,-
3-(Piperidin-3-yl)pyridine,CASRN:31251-28-2,DTXSID50576785,C1CNCC(C1)C1=CN=CC=C1,C1CNCC(C1)C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-3-9(7-11-5-1)10-4-2-6-12-8-10/h1,3,5,7,10,12H,2,4,6,8H2",KLDGENGYOLDCCH-UHFFFAOYSA-N,DTXCID90948003,Public_Low,-,-,-,21,1,-,-,-,-,-,-
"(1,2,3,4-Tetrahydronaphthalen-1-yl)hydrazine",CASRN:98074-64-7,DTXSID90578743,NNC1CCCC2=CC=CC=C12,NNC1CCCC2=CC=CC=C12,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-12-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6,10,12H,3,5,7,11H2",BEFSPYNDXHSFPF-UHFFFAOYSA-N,DTXCID80948451,Public_Low,-,-,-,14,1,-,-,-,-,-,-
2-(Piperidin-4-yl)pyridine--hydrogen chloride (1/2),CASRN:143924-45-2,DTXSID40582436,Cl.Cl.C1CC(CCN1)C1=CC=CC=N1,C1CC(CCN1)C1=CC=CC=N1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-6-12-10(3-1)9-4-7-11-8-5-9/h1-3,6,9,11H,4-5,7-8H2",KVNQCSIGNRPHHM-UHFFFAOYSA-N,DTXCID10389651,Public_Low,-,-,-,30,2,-,-,-,-,-,-
Heptylidenepropanedinitrile,CASRN:695165-26-5,DTXSID20582474,CCCCCCC=C(C#N)C#N,CCCCCCC=C(C#N)C#N,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-3-4-5-6-7-10(8-11)9-12/h7H,2-6H2,1H3",MZTUQCOHFNZSLC-UHFFFAOYSA-N,DTXCID70533239,Public_Low,-,-,-,10,1,-,-,-,-,-,-
N-[1-(Pyridin-3-yl)ethyl]cyclopropanamine,CASRN:183609-12-3,DTXSID70588269,CC(NC1CC1)C1=CN=CC=C1,CC(NC1CC1)C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-8(12-10-4-5-10)9-3-2-6-11-7-9/h2-3,6-8,10,12H,4-5H2,1H3",XJCXOPUZWYXCES-UHFFFAOYSA-N,DTXCID20950699,Public_Low,-,-,-,24,2,-,-,-,-,-,-
2-Phenylpiperazine--hydrogen chloride (1/2),CASRN:872139-22-5,DTXSID10589997,Cl.Cl.C1CNC(CN1)C1=CC=CC=C1,C1CNC(CN1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-9(5-3-1)10-8-11-6-7-12-10/h1-5,10-12H,6-8H2",RIMRLBGNCLMSNH-UHFFFAOYSA-N,DTXCID80862360,Public_Low,-,-,-,21,1,-,-,-,-,-,-
N-[(Pyridin-3-yl)methyl]cyclobutanamine,CASRN:185509-76-6,DTXSID00590097,C(NC1CCC1)C1=CN=CC=C1,C(NC1CCC1)C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-4-10(5-1)12-8-9-3-2-6-11-7-9/h2-3,6-7,10,12H,1,4-5,8H2",UFFMGQWREGJEFM-UHFFFAOYSA-N,DTXCID10540861,Public_Low,-,-,-,16,2,-,-,-,-,-,-
3-[(Pyrrolidin-2-yl)methyl]pyridine--hydrogen chloride (1/2),CASRN:1003561-86-1,DTXSID50592086,Cl.Cl.C(C1CCCN1)C1=CN=CC=C1,C(C1CCCN1)C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-3-9(8-11-5-1)7-10-4-2-6-12-10/h1,3,5,8,10,12H,2,4,6-7H2",GFYJSFUVPAUKJA-UHFFFAOYSA-N,DTXCID10862712,Public_Low,-,-,-,18,1,-,-,-,-,-,-
(1E)-2-Methyl-N'-phenylpropanimidamide,CASRN:14041-89-5,DTXSID60592572,CC(C)C(\\N)=N/C1=CC=CC=C1,CC(C)C(\\N)=N/C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-8(2)10(11)12-9-6-4-3-5-7-9/h3-8H,1-2H3,(H2,11,12)",AGHDSXKIGIOMJN-UHFFFAOYSA-N,DTXCID50543336,Public_Low,-,-,-,10,1,-,-,-,-,-,-
"1-Methyl-1,2,3,4-tetrahydroquinolin-4-amine",CASRN:851390-46-0,DTXSID80593768,CN1CCC(N)C2=CC=CC=C12,CN1CCC(N)C2=CC=CC=C12,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-6-9(11)8-4-2-3-5-10(8)12/h2-5,9H,6-7,11H2,1H3",HMCPFKPMDMJMGK-UHFFFAOYSA-N,DTXCID30863089,Public_Low,-,-,-,21,1,-,-,-,-,-,-
"1-Ethyl-2,3-dihydro-1H-indol-6-amine",CASRN:143543-67-3,DTXSID60594056,CCN1CCC2=C1C=C(N)C=C2,CCN1CCC2=C1C=C(N)C=C2,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-12-6-5-8-3-4-9(11)7-10(8)12/h3-4,7H,2,5-6,11H2,1H3",DASPMFXHFCNQHX-UHFFFAOYSA-N,DTXCID60544819,Public_Low,-,-,-,27,1,-,-,-,-,-,-
4-(1-Methylpyrrolidin-3-yl)pyridine,CASRN:92118-23-5,DTXSID40595829,CN1CCC(C1)C1=CC=NC=C1,CN1CCC(C1)C1=CC=NC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-4-10(8-12)9-2-5-11-6-3-9/h2-3,5-6,10H,4,7-8H2,1H3",IIOIXXVCPOKENC-UHFFFAOYSA-N,DTXCID40863510,Public_Low,-,-,-,9,1,-,-,-,-,-,-
"2-Methyl-1,2,3,4-tetrahydroquinolin-6-amine",CASRN:649569-61-9,DTXSID30595919,CC1CCC2=C(N1)C=CC(N)=C2,CC1CCC2=CC(N)=CC=C2N1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h4-7,12H,2-3,11H2,1H3",COFHVMXNLAGVTB-UHFFFAOYSA-N,DTXCID30863529,Public_Low,-,-,-,12,1,-,-,-,-,-,-
(8-Methyl-8-azabicyclo[3.2.1]octan-3-ylidene)acetonitrile,CASRN:91817-61-7,DTXSID90596689,[H]C12CCC([H])(CC(C1)=CC#N)N2C,[H]C12CCC([H])(CC(C1)=CC#N)N2C,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-9-2-3-10(12)7-8(6-9)4-5-11/h4,9-10H,2-3,6-7H2,1H3",BEMIIPSHLWBOLS-UHFFFAOYSA-N,DTXCID60863693,Public_Low,-,-,-,9,1,-,-,-,-,-,-
"2,6-Dimethyl-4-methylideneheptanedinitrile",CASRN:62722-58-1,DTXSID20607010,CC(CC(=C)CC(C)C#N)C#N,CC(CC(=C)CC(C)C#N)C#N,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-8(4-9(2)6-11)5-10(3)7-12/h9-10H,1,4-5H2,2-3H3",BZUFWXZPPANFKK-UHFFFAOYSA-N,DTXCID30866151,Public_Low,-,-,-,8,1,-,-,-,-,-,-
1-[(Cyclohex-1-en-1-yl)methyl]aziridine-2-carbonitrile,CASRN:75984-78-0,DTXSID20607898,N#CC1CN1CC1=CCCCC1,N#CC1CN1CC1=CCCCC1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-6-10-8-12(10)7-9-4-2-1-3-5-9/h4,10H,1-3,5,7-8H2",NGYSMPWNVYTSDR-UHFFFAOYSA-N,DTXCID00866446,Public_Low,-,-,-,7,1,-,-,-,-,-,-
1-(Bicyclo[2.2.1]heptan-2-yl)aziridine-2-carbonitrile,CASRN:75985-43-2,DTXSID00607917,[H]C12CCC([H])(C1)C(C2)N1CC1C#N,[H]C12CCC([H])(C1)C(C2)N1CC1C#N,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-5-9-6-12(9)10-4-7-1-2-8(10)3-7/h7-10H,1-4,6H2",VCJFNPJTTIARTR-UHFFFAOYSA-N,DTXCID20866463,Public_Low,-,-,-,6,1,-,-,-,-,-,-
"7-Methyl-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine",CASRN:422318-36-3,DTXSID60609437,CC1=CC2=C(NCCNC2)C=C1,CC1=CC2=C(NCCNC2)C=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-8-2-3-10-9(6-8)7-11-4-5-12-10/h2-3,6,11-12H,4-5,7H2,1H3",NJFPGSCEQVZTIQ-UHFFFAOYSA-N,DTXCID00560194,Public_Low,-,-,-,41,2,-,-,-,-,-,-
4-(Pyrrolidin-1-yl)aniline--hydrogen chloride (1/2),CASRN:163260-77-3,DTXSID40610647,Cl.Cl.NC1=CC=C(C=C1)N1CCCC1,NC1=CC=C(C=C1)N1CCCC1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h3-6H,1-2,7-8,11H2",URAARCWOADCWLA-UHFFFAOYSA-N,DTXCID40306674,Public_Low,-,-,-,40,1,-,-,-,-,-,-
"2-Methyl-1,2,3,4-tetrahydroisoquinolin-6-amine",CASRN:14097-37-1,DTXSID10613867,CN1CCC2=C(C1)C=CC(N)=C2,CN1CCC2=C(C1)C=CC(N)=C2,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-5-4-8-6-10(11)3-2-9(8)7-12/h2-3,6H,4-5,7,11H2,1H3",PWHRVVMNFQGSJQ-UHFFFAOYSA-N,DTXCID50564622,Public_Low,-,-,-,15,1,-,-,-,-,-,-
"4-Methyl-5,6,7,8-tetrahydroquinolin-2-amine",CASRN:179555-21-6,DTXSID60618625,CC1=CC(N)=NC2=C1CCCC2,CC1=CC(N)=NC2=C1CCCC2,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-7-6-10(11)12-9-5-3-2-4-8(7)9/h6H,2-5H2,1H3,(H2,11,12)",RGCUFPWLSHCPCA-UHFFFAOYSA-N,DTXCID50569379,Public_Low,-,-,-,20,3,-,-,-,-,-,-
4-[(Azetidin-1-yl)methyl]aniline,CASRN:263339-26-0,DTXSID50626577,NC1=CC=C(CN2CCC2)C=C1,NC1=CC=C(CN2CCC2)C=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-10-4-2-9(3-5-10)8-12-6-1-7-12/h2-5H,1,6-8,11H2",MQWIENFKSMUTOO-UHFFFAOYSA-N,DTXCID70577330,Public_Low,-,-,-,14,1,-,-,-,-,-,-
2-Methyl-4-methylideneoctanedinitrile,CASRN:56827-77-1,DTXSID00626744,CC(CC(=C)CCCC#N)C#N,CC(CC(=C)CCCC#N)C#N,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-9(5-3-4-6-11)7-10(2)8-12/h10H,1,3-5,7H2,2H3",TYHFRIJIMIEVMH-UHFFFAOYSA-N,DTXCID40870709,Public_Low,-,-,-,7,1,-,-,-,-,-,-
2-(Piperidin-4-yl)pyridine--hydrogen chloride (1/1),CASRN:216688-64-1,DTXSID80629410,Cl.C1CC(CCN1)C1=CC=CC=N1,C1CC(CCN1)C1=CC=CC=N1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-6-12-10(3-1)9-4-7-11-8-5-9/h1-3,6,9,11H,4-5,7-8H2",KVNQCSIGNRPHHM-UHFFFAOYSA-N,DTXCID10389651,Public_Low,-,-,-,21,1,-,-,-,-,-,-
Oxalic acid--(3E)-N-methyl-4-(pyridin-3-yl)but-3-en-1-amine (1/1),CASRN:220662-95-3,DTXSID00632688,OC(=O)C(O)=O.CNCC\\C=C\\C1=CN=CC=C1,CNCCC=CC1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-11-7-3-2-5-10-6-4-8-12-9-10/h2,4-6,8-9,11H,3,7H2,1H3",JUOSGGQXEBBCJB-UHFFFAOYSA-N,DTXCID80813099,Public_Low,-,-,-,15,1,-,-,-,-,-,-
"[(2,3-Dihydro-1H-inden-5-yl)methyl]hydrazine",CASRN:51860-04-9,DTXSID00633034,NNCC1=CC2=C(CCC2)C=C1,NNCC1=CC2=C(CCC2)C=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-12-7-8-4-5-9-2-1-3-10(9)6-8/h4-6,12H,1-3,7,11H2",DIWDIDLCINRQFW-UHFFFAOYSA-N,DTXCID40583786,Public_Low,-,-,-,17,1,-,-,-,-,-,-
"3,3-Dimethyl-2,3-dihydro-1H-indol-6-amine",CASRN:179898-73-8,DTXSID10634017,CC1(C)CNC2=C1C=CC(N)=C2,CC1(C)CNC2=C1C=CC(N)=C2,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-10(2)6-12-9-5-7(11)3-4-8(9)10/h3-5,12H,6,11H2,1-2H3",OVSRQUPJJIAWID-UHFFFAOYSA-N,DTXCID50584769,Public_Low,-,-,-,40,2,-,-,-,-,-,-
"1-Methyl-1,2,3,4-tetrahydroquinolin-7-amine--hydrogen chloride (1/1)",CASRN:927684-97-7,DTXSID60647556,Cl.CN1CCCC2=C1C=C(N)C=C2,CN1CCCC2=C1C=C(N)C=C2,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-6-2-3-8-4-5-9(11)7-10(8)12/h4-5,7H,2-3,6,11H2,1H3",OMGAOBAAEGMMTF-UHFFFAOYSA-N,DTXCID40409811,Public_Low,-,-,-,36,1,-,-,-,-,-,-
"1-[(3S)-1,2,3,4-Tetrahydroisoquinolin-3-yl]methanamine",CASRN:195832-21-4,DTXSID90652133,NC[C@@H]1CC2=CC=CC=C2CN1,NCC1CC2=CC=CC=C2CN1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-4,10,12H,5-7,11H2",QQDYNQIMTRERLH-UHFFFAOYSA-N,DTXCID10882511,Public_Low,-,-,-,22,1,-,-,-,-,-,-
3-Methyl-2-(pyrrolidin-2-yl)pyridine,CASRN:23894-37-3,DTXSID50654890,CC1=C(N=CC=C1)C1CCCN1,CC1=C(N=CC=C1)C1CCCN1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-8-4-2-7-12-10(8)9-5-3-6-11-9/h2,4,7,9,11H,3,5-6H2,1H3",QIQHWGGROIBWSH-UHFFFAOYSA-N,DTXCID70883004,Public_Low,-,-,-,14,1,-,-,-,-,-,-
"2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--3-(1-methylpyrrolidin-2-yl)pyridine (1/1)",CASRN:68935-27-3,DTXSID00657553,CN1CCCC1C1=CN=CC=C1.CC1=CC=C(C=C1)C(=O)OC(C(OC(=O)C1=CC=C(C)C=C1)C(O)=O)C(O)=O,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,11,2,-,-,-,-,-,-
N-(3-Methylbut-2-en-1-yl)pyridin-2-amine,CASRN:62327-66-6,DTXSID50657669,CC(C)=CCNC1=CC=CC=N1,CC(C)=CCNC1=CC=CC=N1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-9(2)6-8-12-10-5-3-4-7-11-10/h3-7H,8H2,1-2H3,(H,11,12)",YJJRIKKGZXGQHB-UHFFFAOYSA-N,DTXCID90608418,Public_Low,-,-,-,8,2,-,-,-,-,-,-
"2,3,4,5-Tetrahydro-1H-2-benzazepin-8-amine",CASRN:72232-25-8,DTXSID20658461,NC1=CC2=C(CCCNC2)C=C1,NC1=CC2=C(CCCNC2)C=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-10-4-3-8-2-1-5-12-7-9(8)6-10/h3-4,6,12H,1-2,5,7,11H2",DAEJBLXGXUDKSD-UHFFFAOYSA-N,DTXCID60609210,Public_Low,-,-,-,16,2,-,-,-,-,-,-
3-(Piperidin-2-yl)(~2~H_4_)pyridine,CASRN:1020719-08-7,DTXSID30661789,[2H]C1=NC([2H])=C(C2CCCCN2)C([2H])=C1[2H],C1CCC(NC1)C1=CC=CN=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2",MTXSIJUGVMTTMU-UHFFFAOYSA-N,DTXCID50202491,Public_Low,-,-,-,7,1,-,-,-,-,-,-
"3-[1-Methyl(2,3,3-~2~H_3_)pyrrolidin-2-yl]pyridine",CASRN:1189681-48-8,DTXSID60662143,[2H]C1([2H])CCN(C)C1([2H])C1=CN=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,4,1,-,-,-,-,-,-
3-(1-Methylpyrrolidin-2-yl)(~2~H_4_)pyridine,CASRN:350818-69-8,DTXSID20662144,[2H]C1=NC([2H])=C(C2CCCN2C)C([2H])=C1[2H],CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,12,1,-,-,-,-,-,-
4-(Azetidin-1-yl)-2-methylaniline,CASRN:344405-56-7,DTXSID90666336,CC1=C(N)C=CC(=C1)N1CCC1,CC1=C(N)C=CC(=C1)N1CCC1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-8-7-9(3-4-10(8)11)12-5-2-6-12/h3-4,7H,2,5-6,11H2,1H3",MOSQPXDQOSPHTN-UHFFFAOYSA-N,DTXCID90617085,Public_Low,-,-,-,11,1,-,-,-,-,-,-
4-(Azetidin-1-yl)-3-methylaniline,CASRN:344405-53-4,DTXSID50666337,CC1=C(C=CC(N)=C1)N1CCC1,CC1=C(C=CC(N)=C1)N1CCC1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-8-7-9(11)3-4-10(8)12-5-2-6-12/h3-4,7H,2,5-6,11H2,1H3",IPDBDZJRQKUCII-UHFFFAOYSA-N,DTXCID50617086,Public_Low,-,-,-,11,1,-,-,-,-,-,-
2-Ethanimidoyl-6-ethylaniline,CASRN:148121-17-9,DTXSID10669309,CCC1=C(N)C(=CC=C1)C(C)=N,CCC1=CC=CC(C(C)=N)=C1N,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-3-8-5-4-6-9(7(2)11)10(8)12/h4-6,11H,3,12H2,1-2H3",DANNHLPYEHMEPI-UHFFFAOYSA-N,DTXCID50887429,Public_Low,-,-,-,9,1,-,-,-,-,-,-
1-Cyclopropyl-1-(3-methylpyridin-2-yl)methanamine,CASRN:1015846-65-7,DTXSID90672452,CC1=C(N=CC=C1)C(N)C1CC1,CC1=C(N=CC=C1)C(N)C1CC1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-7-3-2-6-12-10(7)9(11)8-4-5-8/h2-3,6,8-9H,4-5,11H2,1H3",LBRBZJUBGVFGGD-UHFFFAOYSA-N,DTXCID00888340,Public_Low,-,-,-,13,1,-,-,-,-,-,-
"3-[1-(~13~C,~2~H_3_)Methylpyrrolidin-2-yl]pyridine",CASRN:909014-86-4,DTXSID80676247,[2H][13C]([2H])([2H])N1CCCC1C1=CN=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,7,1,-,-,-,-,-,-
1-Cyclopropyl-1-(4-methylpyridin-2-yl)methanamine--hydrogen chloride (1/2),CASRN:1203308-27-3,DTXSID50679008,Cl.Cl.CC1=CC(=NC=C1)C(N)C1CC1,CC1=CC=NC(=C1)C(N)C1CC1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-7-4-5-12-9(6-7)10(11)8-2-3-8/h4-6,8,10H,2-3,11H2,1H3",XUWOXHQFBDZVDD-UHFFFAOYSA-N,DTXCID50889822,Public_Low,-,-,-,14,1,-,-,-,-,-,-
"2,3,4,5-Tetrahydro-1H-1-benzazepin-5-amine",CASRN:885275-16-1,DTXSID00679992,NC1CCCNC2=CC=CC=C12,NC1CCCNC2=CC=CC=C12,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-9-5-3-7-12-10-6-2-1-4-8(9)10/h1-2,4,6,9,12H,3,5,7,11H2",HWCKTLUUWDOMTP-UHFFFAOYSA-N,DTXCID70890056,Public_Low,-,-,-,23,1,-,-,-,-,-,-
"(5R)-2,3,4,5-Tetrahydro-1H-1-benzazepin-5-amine",CASRN:294196-60-4,DTXSID80680046,N[C@@H]1CCCNC2=CC=CC=C12,NC1CCCNC2=CC=CC=C12,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-9-5-3-7-12-10-6-2-1-4-8(9)10/h1-2,4,6,9,12H,3,5,7,11H2",HWCKTLUUWDOMTP-UHFFFAOYSA-N,DTXCID70890056,Public_Low,-,-,-,15,1,-,-,-,-,-,-
4-[(Cyclopropylamino)methyl]aniline,CASRN:1082768-71-5,DTXSID20680227,NC1=CC=C(CNC2CC2)C=C1,NC1=CC=C(CNC2CC2)C=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-9-3-1-8(2-4-9)7-12-10-5-6-10/h1-4,10,12H,5-7,11H2",ZQSPJDFQWLYSMD-UHFFFAOYSA-N,DTXCID90630976,Public_Low,-,-,-,33,1,-,-,-,-,-,-
"1,2,3,4-Tetrahydronaphthalene-2,7-diamine--hydrogen chloride (1/2)",CASRN:861352-50-3,DTXSID20695770,Cl.Cl.NC1CCC2=C(C1)C=C(N)C=C2,NC1CCC2=CC=C(N)C=C2C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-9-3-1-7-2-4-10(12)6-8(7)5-9/h1,3,5,10H,2,4,6,11-12H2",FISUQAVKGARTJH-UHFFFAOYSA-N,DTXCID00945008,Public_Low,-,-,-,8,1,-,-,-,-,-,-
"1-(1,2,3,4-Tetrahydroisoquinolin-3-yl)methanamine--hydrogen chloride (1/2)",CASRN:54329-61-2,DTXSID90696012,Cl.Cl.NCC1CC2=CC=CC=C2CN1,NCC1CC2=CC=CC=C2CN1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-6-10-5-8-3-1-2-4-9(8)7-12-10/h1-4,10,12H,5-7,11H2",QQDYNQIMTRERLH-UHFFFAOYSA-N,DTXCID10882511,Public_Low,-,-,-,21,1,-,-,-,-,-,-
N-Cyclobutyl-N-methylpyridin-2-amine,CASRN:1010422-31-7,DTXSID30704049,CN(C1CCC1)C1=CC=CC=N1,CN(C1CCC1)C1=CC=CC=N1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12(9-5-4-6-9)10-7-2-3-8-11-10/h2-3,7-9H,4-6H2,1H3",PKWIATLYBUNVCB-UHFFFAOYSA-N,DTXCID30654797,Public_Low,-,-,-,6,1,-,-,-,-,-,-
1-Benzylazetidin-3-amine--hydrogen chloride (1/2),CASRN:1307683-81-3,DTXSID20704391,Cl.Cl.NC1CN(CC2=CC=CC=C2)C1,NC1CN(CC2=CC=CC=C2)C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-10-7-12(8-10)6-9-4-2-1-3-5-9/h1-5,10H,6-8,11H2",KLUJUFXZZAOGQQ-UHFFFAOYSA-N,DTXCID80387442,Public_Low,-,-,-,17,1,-,-,-,-,-,-
5-Methylnon-4-enedinitrile,CASRN:56726-76-2,DTXSID80707505,CC(CCCC#N)=CCCC#N,CC(CCCC#N)=CCCC#N,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-10(6-2-4-8-11)7-3-5-9-12/h6H,2-5,7H2,1H3",HWGNERYJKMWNBQ-UHFFFAOYSA-N,DTXCID10658253,Public_Low,-,-,-,6,1,-,-,-,-,-,-
(2-Methyl-3-phenylprop-2-en-1-yl)hydrazine,CASRN:92882-31-0,DTXSID30708325,CC(CNN)=CC1=CC=CC=C1,CC(CNN)=CC1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-9(8-12-11)7-10-5-3-2-4-6-10/h2-7,12H,8,11H2,1H3",KQLJIMNWWNBXCX-UHFFFAOYSA-N,DTXCID60659073,Public_Low,-,-,-,5,1,-,-,-,-,-,-
"2,4,6-Trimethylhept-3-enedinitrile",CASRN:62722-59-2,DTXSID90709373,CC(CC(C)=CC(C)C#N)C#N,CC(CC(C)=CC(C)C#N)C#N,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-8(4-9(2)6-11)5-10(3)7-12/h4,9-10H,5H2,1-3H3",OIWUZXBBESWTHG-UHFFFAOYSA-N,DTXCID701038148,Public_Low,-,-,-,6,1,-,-,-,-,-,-
"N-(2,3-Dimethylphenyl)-N'-methylmethanimidamide",CASRN:42572-04-3,DTXSID00709485,C\\N=C\\NC1=CC=CC(C)=C1C,C\\N=C\\NC1=CC=CC(C)=C1C,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-8-5-4-6-10(9(8)2)12-7-11-3/h4-7H,1-3H3,(H,11,12)",ORVPMWFGKDZNEY-UHFFFAOYSA-N,DTXCID90660233,Public_Low,-,-,-,5,1,-,-,-,-,-,-
"2,4-Dimethyloct-4-enedinitrile",CASRN:62751-19-3,DTXSID20709826,CC(CC(C)=CCCC#N)C#N,CC(CC(C)=CCCC#N)C#N,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-9(5-3-4-6-11)7-10(2)8-12/h5,10H,3-4,7H2,1-2H3",PZNDEYCHUBUQOA-UHFFFAOYSA-N,DTXCID101038190,Public_Low,-,-,-,6,1,-,-,-,-,-,-
"2,4-Dimethyloct-3-enedinitrile",CASRN:62722-57-0,DTXSID40711986,CC(C=C(C)CCCC#N)C#N,CC(C=C(C)CCCC#N)C#N,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-9(5-3-4-6-11)7-10(2)8-12/h7,10H,3-5H2,1-2H3",YVLNGQFWHIEHIK-UHFFFAOYSA-N,DTXCID501038392,Public_Low,-,-,-,7,1,-,-,-,-,-,-
"2,3-Dihydroxybutanedioic acid--1-phenylpiperazine (1/1)",CASRN:23349-55-5,DTXSID00715061,OC(C(O)C(O)=O)C(O)=O.C1CN(CCN1)C1=CC=CC=C1,C1CN(CCN1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2",YZTJYBJCZXZGCT-UHFFFAOYSA-N,DTXCID9031644,Public_Low,-,-,-,3,2,-,-,-,-,-,-
"(5S)-2,3,4,5-Tetrahydro-1H-1-benzazepin-5-amine",CASRN:294196-07-9,DTXSID40717004,N[C@H]1CCCNC2=CC=CC=C12,NC1CCCNC2=CC=CC=C12,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-9-5-3-7-12-10-6-2-1-4-8(9)10/h1-2,4,6,9,12H,3,5,7,11H2",HWCKTLUUWDOMTP-UHFFFAOYSA-N,DTXCID70890056,Public_Low,-,-,-,13,1,-,-,-,-,-,-
Perchloric acid--2-(1-methylpyrrolidin-2-yl)pyridine (2/1),CASRN:147663-86-3,DTXSID50723717,O[Cl](=O)(=O)=O.O[Cl](=O)(=O)=O.CN1CCCC1C1=CC=CC=N1,CN1CCCC1C1=CC=CC=N1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-8-4-6-10(12)9-5-2-3-7-11-9/h2-3,5,7,10H,4,6,8H2,1H3",AQCRXZYYMOXFAN-UHFFFAOYSA-N,DTXCID601020683,Public_Low,-,-,-,7,1,-,-,-,-,-,-
"(1S,2R)-1,2,3,4-Tetrahydronaphthalene-1,2-diamine",CASRN:426262-27-3,DTXSID60726012,N[C@@H]1CCC2=CC=CC=C2[C@@H]1N,NC1CCC2=CC=CC=C2C1N,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,9-10H,5-6,11-12H2",VLSRPVYKKHYHON-UHFFFAOYSA-N,DTXCID90996165,Public_Low,-,-,-,6,1,-,-,-,-,-,-
"2-Methyl-2,3-dihydro-1H-indene-4,7-diamine",CASRN:917805-31-3,DTXSID80730131,CC1CC2=C(N)C=CC(N)=C2C1,CC1CC2=C(N)C=CC(N)=C2C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-6-4-7-8(5-6)10(12)3-2-9(7)11/h2-3,6H,4-5,11-12H2,1H3",BOPDDZMXSVMRIX-UHFFFAOYSA-N,DTXCID90680875,Public_Low,-,-,-,7,1,-,-,-,-,-,-
"1-Methyl-2,3-dihydro-1H-indene-4,7-diamine",CASRN:917805-30-2,DTXSID60730139,CC1CCC2=C(N)C=CC(N)=C12,CC1CCC2=C1C(N)=CC=C2N,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-6-2-3-7-8(11)4-5-9(12)10(6)7/h4-6H,2-3,11-12H2,1H3",BDTXWMGGWAYDTD-UHFFFAOYSA-N,DTXCID20996794,Public_Low,-,-,-,7,1,-,-,-,-,-,-
"6-Methyl-1,2,3,4-tetrahydroquinolin-8-amine",CASRN:160431-50-5,DTXSID00730294,CC1=CC2=C(NCCC2)C(N)=C1,CC1=CC2=C(NCCC2)C(N)=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-7-5-8-3-2-4-12-10(8)9(11)6-7/h5-6,12H,2-4,11H2,1H3",GLOWZAPATGRICO-UHFFFAOYSA-N,DTXCID80681038,Public_Low,-,-,-,12,1,-,-,-,-,-,-
"3,3-Dimethyl-2,3-dihydro-1H-indol-5-amine",CASRN:1158745-51-7,DTXSID20738237,CC1(C)CNC2=C1C=C(N)C=C2,CC1(C)CNC2=C1C=C(N)C=C2,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-10(2)6-12-9-4-3-7(11)5-8(9)10/h3-5,12H,6,11H2,1-2H3",NLAMTLXEEAQDSL-UHFFFAOYSA-N,DTXCID80688981,Public_Low,-,-,-,10,1,-,-,-,-,-,-
Acetic acid--3-[(2S)-1-methylpyrrolidin-2-yl]pyridine (1/1),CASRN:5153-64-0,DTXSID80740634,CC(O)=O.CN1CCC[C@H]1C1=CN=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,4,3,-,-,-,-,-,-
"5-Cyclopropyl-N,N-dimethylpyridin-2-amine",CASRN:1245645-43-5,DTXSID40745105,CN(C)C1=NC=C(C=C1)C1CC1,CN(C)C1=NC=C(C=C1)C1CC1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12(2)10-6-5-9(7-11-10)8-3-4-8/h5-8H,3-4H2,1-2H3",BJBLCBSSWLWCPO-UHFFFAOYSA-N,DTXCID50695849,Public_Low,-,-,-,11,1,-,-,-,-,-,-
3-[(2S)-1-Methylpyrrolidin-2-yl](~2~H_4_)pyridine,CASRN:284685-07-0,DTXSID80746757,[2H]C1=NC([2H])=C([C@@H]2CCCN2C)C([2H])=C1[2H],CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,5,1,-,-,-,-,-,-
"N-(2,4-Dimethylphenyl)-N'-(~2~H_3_)methylmethanimidamide",CASRN:1255517-75-9,DTXSID30746868,[2H]C([2H])([2H])\\N=C\\NC1=C(C)C=C(C)C=C1,CNC=NC1=CC=C(C)C=C1C,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-8-4-5-10(9(2)6-8)12-7-11-3/h4-7H,1-3H3,(H,11,12)",JIIOLEGNERQDIP-UHFFFAOYSA-N,DTXCID9017696,Public_Low,-,-,-,3,1,-,-,-,-,-,-
2-[(E)-(1-Phenylethylidene)amino]ethan-1-amine,CASRN:112291-92-6,DTXSID40764134,C\\C(=N/CCN)C1=CC=CC=C1,CC(=NCCN)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-9(12-8-7-11)10-5-3-2-4-6-10/h2-6H,7-8,11H2,1H3",PRTSTKFVEXTIJX-UHFFFAOYSA-N,DTXCID301042149,Public_Low,-,-,-,5,1,-,-,-,-,-,-
1-[(2H-Pyrrol-2-ylidene)methyl]piperidine,CASRN:19611-56-4,DTXSID60777726,C1CCN(CC1)C=C1C=CC=N1,C1CCN(CC1)C=C1C=CC=N1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-7-12(8-3-1)9-10-5-4-6-11-10/h4-6,9H,1-3,7-8H2",IRGABYHRDAHSBV-UHFFFAOYSA-N,DTXCID50728469,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"N-(2,6-Dimethylphenyl)-N'-methylmethanimidamide",CASRN:42571-94-8,DTXSID80785484,C\\N=C\\NC1=C(C)C=CC=C1C,C\\N=C\\NC1=C(C)C=CC=C1C,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-8-5-4-6-9(2)10(8)12-7-11-3/h4-7H,1-3H3,(H,11,12)",AZSXWIHSJCWLFK-UHFFFAOYSA-N,DTXCID10736227,Public_Low,-,-,-,4,1,-,-,-,-,-,-
(1E)-1-(1-Methyl-1H-pyrrol-2-yl)-N-(prop-1-en-1-yl)ethan-1-imine,CASRN:87870-11-9,DTXSID10831488,CC=C\\N=C(/C)C1=CC=CN1C,CC=CN=C(C)C1=CC=CN1C,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-4-7-11-9(2)10-6-5-8-12(10)3/h4-8H,1-3H3",WAZMXRUQKIFJTO-UHFFFAOYSA-N,DTXCID601047586,Public_Low,-,-,-,3,1,-,-,-,-,-,-
(Hex-4-en-3-yl)(methyl)propanedinitrile,CASRN:832720-98-6,DTXSID20835275,CCC(C=CC)C(C)(C#N)C#N,CCC(C=CC)C(C)(C#N)C#N,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-4-6-9(5-2)10(3,7-11)8-12/h4,6,9H,5H2,1-3H3",UYKRDMUGDMHBDE-UHFFFAOYSA-N,DTXCID801047906,Public_Low,-,-,-,4,1,-,-,-,-,-,-
Nitric acid--3-[(2S)-piperidin-2-yl]pyridine (1/1),CASRN:585564-76-7,DTXSID40852303,O[N+]([O-])=O.C1CC[C@H](NC1)C1=CN=CC=C1,C1CCC(NC1)C1=CC=CN=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2",MTXSIJUGVMTTMU-UHFFFAOYSA-N,DTXCID50202491,Public_Low,-,-,-,3,1,-,-,-,-,-,-
"2,3-Dipropylbut-2-enedinitrile",CASRN:217322-20-8,DTXSID00855178,CCCC(C#N)=C(CCC)C#N,CCCC(C#N)=C(CCC)C#N,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-3-5-9(7-11)10(8-12)6-4-2/h3-6H2,1-2H3",JSWAWCSIOCLTRB-UHFFFAOYSA-N,DTXCID80805919,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"2,3,4,5-Tetrahydro-1H-3-benzazepin-2-amine",CASRN:205393-48-2,DTXSID60856060,NC1CC2=CC=CC=C2CCN1,NC1CC2=CC=CC=C2CCN1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-10-7-9-4-2-1-3-8(9)5-6-12-10/h1-4,10,12H,5-7,11H2",DZPOFFRXIJFWQT-UHFFFAOYSA-N,DTXCID10907970,Public_Low,-,-,-,9,1,-,-,-,-,-,-
3-(Pyrrolidin-3-yl)aniline--hydrogen chloride (1/2),CASRN:1203681-66-6,DTXSID10856277,Cl.Cl.NC1=CC=CC(=C1)C1CCNC1,NC1=CC(=CC=C1)C1CCNC1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h1-3,6,9,12H,4-5,7,11H2",NCCAHXJXZSQBBE-UHFFFAOYSA-N,DTXCID50908062,Public_Low,-,-,-,12,1,-,-,-,-,-,-
"1,6-Dimethyl-1,2,3,4-tetrahydroquinoxaline",CASRN:912284-80-1,DTXSID60856964,CN1CCNC2=C1C=CC(C)=C2,CN1CCNC2=C1C=CC(C)=C2,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-8-3-4-10-9(7-8)11-5-6-12(10)2/h3-4,7,11H,5-6H2,1-2H3",DMDDKWCMXYOTBQ-UHFFFAOYSA-N,DTXCID70807705,Public_Low,-,-,-,10,1,-,-,-,-,-,-
"(2R,3R)-2,3-Bis[(4-methylbenzoyl)oxy]butanedioic acid--3-[(2S)-1-methylpyrrolidin-2-yl]pyridine (1/1)",CASRN:68935-26-2,DTXSID10858175,CN1CCC[C@H]1C1=CN=CC=C1.CC1=CC=C(C=C1)C(=O)O[C@H]([C@@H](OC(=O)C1=CC=C(C)C=C1)C(O)=O)C(O)=O,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,4,3,-,-,-,-,-,-
N-Me-(3-Pyridylbutene-1-yl)-amine,CASRN:NOCAS_874104,DTXSID20874104,CN\\C=C\\C(C)C1=CC=CC=N1,CN=CCC(C)C1=NC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-9(6-8-11-2)10-5-3-4-7-12-10/h3-5,7-9H,6H2,1-2H3",PPDVXHJLDOVDFC-UHFFFAOYSA-N,DTXCID601273616,Public_Low,-,-,-,-,2,-,-,-,-,-,-
w-Phenylpropionaldehyd N-Me hydrazone,CASRN:NOCAS_876059,DTXSID90876059,CN\\N=C\\CCC1=CC=CC=C1,CN=NCCCC1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-11-12-9-5-8-10-6-3-2-4-7-10/h2-4,6-7H,5,8-9H2,1H3",WLTBVTUQXAVSLH-UHFFFAOYSA-N,DTXCID101060763,Public_Low,-,-,-,-,2,-,-,-,-,-,-
2-(1-Methylpyrrolidin-2-yl)pyridine,CASRN:23950-04-1,DTXSID00946772,CN1CCCC1C1=CC=CC=N1,CN1CCCC1C1=CC=CC=N1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-8-4-6-10(12)9-5-2-3-7-11-9/h2-3,5,7,10H,4,6,8H2,1H3",AQCRXZYYMOXFAN-UHFFFAOYSA-N,DTXCID601020683,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"Pyridine, 3-[(2S)-1-methyl-2-pyrrolidinyl]-, hydrochloride (1:2)",CASRN:6019-02-9,DTXSID30884214,Cl.Cl.CN1CCC[C@H]1C1=CN=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,-,5,-,-,-,-,-,-
"N-(2,4-Dimethylphenyl)-N-methylimidoformamide",CASRN:NOCAS_891442,DTXSID70891442,CN(C=N)C1=C(C)C=C(C)C=C1,CN(C=N)C1=C(C)C=C(C)C=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-8-4-5-10(9(2)6-8)12(3)7-11/h4-7,11H,1-3H3",UBLNTZNUSGCINZ-UHFFFAOYSA-N,DTXCID001030555,Public_Low,-,-,-,-,3,-,-,-,-,-,1
"N,N-Dimethyl-N'-(4-methylphenyl)methanimidamide",CASRN:7549-96-4,DTXSID60996950,CN(C)C=NC1=CC=C(C)C=C1,CN(C)C=NC1=CC=C(C)C=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-9-4-6-10(7-5-9)11-8-12(2)3/h4-8H,1-3H3",NOBRDGQOCLNSSL-UHFFFAOYSA-N,DTXCID601333204,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"Hexahydro-2H,3H-4,6,1-(ethane[1,1,2]triyl)-1,2a-diazacyclopenta[cd]pentalene",CASRN:103021-44-9,DTXSID50908163,C1C2C3CN4CN5CC3C1C5C24,C1C2C3CN4CN5CC3C1C5C24,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-5-7-2-11-4-12-3-8(7)6(1)10(12)9(5)11/h5-10H,1-4H2",HJLXOOJJCPEXAL-UHFFFAOYSA-N,DTXCID101337249,Public_Low,-,-,-,-,2,-,-,-,-,-,-
3-[1-Methyl(2-~14~C)pyrrolidin-2-yl]pyridine,CASRN:94292-33-8,DTXSID60915702,[H][14C@]1(CCCN1C)C1=CN=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"2-Hydroxypropane-1,2,3-tricarboxylic acid--3-(1-methylpyrrolidin-2-yl)pyridine (1/2)",CASRN:94006-00-5,DTXSID50916708,[H][C@]1(CCCN1C)C1=CN=CC=C1.[H][C@]1(CCCN1C)C1=CN=CC=C1.OC(=O)CC(O)(CC(O)=O)C(O)=O,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,-,3,-,-,-,-,-,-
"1,1-Dimethyl-2-(1-phenylethylidene)hydrazine",CASRN:13466-32-5,DTXSID00928710,CN(C)N=C(C)C1=CC=CC=C1,CN(C)N=C(C)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-9(11-12(2)3)10-7-5-4-6-8-10/h4-8H,1-3H3",KGSVQMBEBWYNLB-UHFFFAOYSA-N,DTXCID701357475,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"2,3-Dihydroxybutanedioic acid--3-(1-methylpyrrolidin-2-yl)pyridine (2/1)",CASRN:1421-32-5,DTXSID30931338,[H][C@@](O)(C(O)=O)[C@]([H])(O)C(O)=O.[H][C@@](O)(C(O)=O)[C@]([H])(O)C(O)=O.[H][C@]1(CCCN1C)C1=CN=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,-,3,-,-,-,-,-,-
2-Hydroxypropanoic acid--3-(1-methylpyrrolidin-2-yl)pyridine (1/1),CASRN:14474-00-1,DTXSID80932395,CC(O)C(O)=O.[H][C@]1(CCCN1C)C1=CN=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,-,4,-,-,-,-,-,-
3-(Piperidin-2-yl)pyridine--hydrogen chloride (1/1),CASRN:15251-47-5,DTXSID70934525,Cl.C1CCC(NC1)C1=CN=CC=C1,C1CCC(NC1)C1=CC=CN=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2",MTXSIJUGVMTTMU-UHFFFAOYSA-N,DTXCID50202491,Public_Low,-,-,-,-,2,-,-,-,-,-,-
Sulfuric acid--3-(piperidin-2-yl)pyridine (1/1),CASRN:18262-71-0,DTXSID20939601,OS(O)(=O)=O.[H][C@]1(CCCCN1)C1=CN=CC=C1,C1CCC(NC1)C1=CC=CN=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2",MTXSIJUGVMTTMU-UHFFFAOYSA-N,DTXCID50202491,Public_Low,-,-,-,-,4,-,-,-,-,-,-
3-(1-Methylpyrrolidin-2-yl)pyridine--hydrogen chloride (1/1),CASRN:21361-93-3,DTXSID40943922,Cl.CN1CCCC1C1=CN=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,-,3,-,-,-,-,-,-
Iodomethane--3-(1-methylpyrrolidin-2-yl)pyridine (1/1),CASRN:22083-76-7,DTXSID20944715,CI.[H][C@]1(CCCN1C)C1=CN=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,-,3,-,-,-,-,-,-
"2-Methyl-5,6,7,8-tetrahydroquinolin-4-aminium",CASRN:22345-79-5,DTXSID40944994,CC1=CC([NH3+])=C2CCCCC2=N1,CC1=CC(N)=C2CCCCC2=N1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h6H,2-5H2,1H3,(H2,11,12)",FTGOJKPUJODQKE-UHFFFAOYSA-N,DTXCID401403273,Public_Low,-,-,-,-,2,-,-,-,-,-,-
3-(1-Methylpyrrolidin-2-yl)pyridine--hydrogen chloride (1/2),CASRN:28357-52-0,DTXSID90951037,Cl.Cl.CN1CCCC1C1=CN=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"2,3-Dihydroxybutanedioic acid--3-(1-methylpyrrolidin-2-yl)pyridine (1/1)",CASRN:3275-73-8,DTXSID90954402,[H][C@@](O)(C(O)=O)[C@]([H])(O)C(O)=O.[H][C@]1(CCCN1C)C1=CN=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,-,3,-,-,-,-,-,-
"Spiro[diazirene-3,2'-tricyclo[3.3.1.1~3,7~]decane]",CASRN:41736-95-2,DTXSID00961940,C1C2CC3CC1CC(C2)C31N=N1,C1C2CC3CC1CC(C2)C31N=N1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-6-2-8-4-7(1)5-9(3-6)10(8)11-12-10/h6-9H,1-5H2",PNVXTJMLAFYDOJ-UHFFFAOYSA-N,DTXCID701389755,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"3,5,7,8-Tetrachloro-2,2,3,4,4,5,6,6,7,8,8-undecafluorooctanoic acid--1-phenylpiperazine (1/1)",CASRN:4627-64-9,DTXSID50963535,C1CN(CCN1)C1=CC=CC=C1.OC(=O)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)C(F)(Cl)C(F)(F)Cl,C1CN(CCN1)C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-2-4-10(5-3-1)12-8-6-11-7-9-12/h1-5,11H,6-9H2",YZTJYBJCZXZGCT-UHFFFAOYSA-N,DTXCID9031644,Public_Low,-,-,-,-,2,-,-,-,-,-,-
1-Methyl-2-phenylimidazolidine,CASRN:53370-26-6,DTXSID80968013,CN1CCNC1C1=CC=CC=C1,CN1CCNC1C1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-8-7-11-10(12)9-5-3-2-4-6-9/h2-6,10-11H,7-8H2,1H3",HOPXNJUXPFWPED-UHFFFAOYSA-N,DTXCID901395605,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"N,N-Dimethyl(phenyl)ethanimidamide--hydrogen chloride (1/1)",CASRN:5504-21-2,DTXSID60970396,Cl.CN(C)C(=N)CC1=CC=CC=C1,CN(C)C(=N)CC1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12(2)10(11)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3",VEHZLOXNVVKFAG-UHFFFAOYSA-N,DTXCID80973723,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"2-Methyl-5,6,7,8-tetrahydroquinolin-4-amine",CASRN:6047-82-1,DTXSID80975883,CC1=CC(N)=C2CCCCC2=N1,CC1=CC(N)=C2CCCCC2=N1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h6H,2-5H2,1H3,(H2,11,12)",FTGOJKPUJODQKE-UHFFFAOYSA-N,DTXCID401403273,Public_Low,-,-,-,-,2,-,-,-,-,-,-
Cobalt(2+) 2-benzoylbenzoate--3-(1-methylpyrrolidin-2-yl)pyridine--water (1/2/2/3),CASRN:64092-16-6,DTXSID50982589,O.O.O.[Co++].CN1CCCC1C1=CN=CC=C1.CN1CCCC1C1=CN=CC=C1.[O-]C(=O)C1=CC=CC=C1C(=O)C1=CC=CC=C1.[O-]C(=O)C1=CC=CC=C1C(=O)C1=CC=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,-,2,-,-,-,-,-,-
Copper(2+) benzoate--3-(1-methylpyrrolidin-2-yl)pyridine (1/2/1),CASRN:64092-17-7,DTXSID60982590,[Cu++].[O-]C(=O)C1=CC=CC=C1.[O-]C(=O)C1=CC=CC=C1.CN1CCCC1C1=CN=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,-,2,-,-,-,-,-,-
Copper(1+) cyanide--3-(1-methylpyrrolidin-2-yl)pyridine (1/1/1),CASRN:64092-18-8,DTXSID20982591,[Cu+].[C-]#N.CN1CCCC1C1=CN=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,-,2,-,-,-,-,-,-
Copper(1+) thiocyanate--3-(1-methylpyrrolidin-2-yl)pyridine (1/1/1),CASRN:64092-20-2,DTXSID80982592,[Cu+].[S-]C#N.CN1CCCC1C1=CN=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,-,2,-,-,-,-,-,-
Copper(2+) thiocyanate--3-(1-methylpyrrolidin-2-yl)pyridine (1/2/1),CASRN:64092-21-3,DTXSID40982593,[Cu++].[S-]C#N.[S-]C#N.CN1CCCC1C1=CN=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,-,2,-,-,-,-,-,-
Manganese(2+) 2-benzoylbenzoate--3-(1-methylpyrrolidin-2-yl)pyridine--water (1/2/2/3),CASRN:64092-22-4,DTXSID00982594,O.O.O.[Mn++].CN1CCCC1C1=CN=CC=C1.CN1CCCC1C1=CN=CC=C1.[O-]C(=O)C1=CC=CC=C1C(=O)C1=CC=CC=C1.[O-]C(=O)C1=CC=CC=C1C(=O)C1=CC=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,-,2,-,-,-,-,-,-
Nickel(2+) 2-benzoylbenzoate--3-(1-methylpyrrolidin-2-yl)pyridine--water (1/2/2/3),CASRN:64092-23-5,DTXSID60982595,O.O.O.[Ni++].CN1CCCC1C1=CN=CC=C1.CN1CCCC1C1=CN=CC=C1.[O-]C(=O)C1=CC=CC=C1C(=O)C1=CC=CC=C1.[O-]C(=O)C1=CC=CC=C1C(=O)C1=CC=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,-,2,-,-,-,-,-,-
Zinc thiocyanate--3-(1-methylpyrrolidin-2-yl)pyridine (1/2/1),CASRN:64092-25-7,DTXSID20982596,[Zn++].[S-]C#N.[S-]C#N.CN1CCCC1C1=CN=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,-,2,-,-,-,-,-,-
Sulfuric acid--3-(1-methylpyrrolidin-2-yl)pyridine (1/1),CASRN:6505-86-8,DTXSID80983589,OS(O)(=O)=O.CN1CCCC1C1=CN=CC=C1,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,-,3,-,-,-,-,-,-
2-Methyl-3-(pyrrolidin-2-yl)pyridine,CASRN:69567-18-6,DTXSID50989614,CC1=C(C=CC=N1)C1CCCN1,CC1=C(C=CC=N1)C1CCCN1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-8-9(4-2-6-11-8)10-5-3-7-12-10/h2,4,6,10,12H,3,5,7H2,1H3",PNNMNLLCHYHPBH-UHFFFAOYSA-N,DTXCID701416734,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"1-Benzyl-3,3-dimethyldiaziridine",CASRN:71014-81-8,DTXSID80991321,CC1(C)NN1CC1=CC=CC=C1,CC1(C)NN1CC1=CC=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-10(2)11-12(10)8-9-6-4-3-5-7-9/h3-7,11H,8H2,1-2H3",SWKFOOZRVOSPAU-UHFFFAOYSA-N,DTXCID901418405,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"2-Hydroxypropane-1,2,3-tricarboxylic acid--3-(1-methylpyrrolidin-2-yl)pyridine (1/1)",CASRN:73086-01-8,DTXSID60993843,[H][C@]1(CCCN1C)C1=CN=CC=C1.OC(=O)CC(O)(CC(O)=O)C(O)=O,CN1CCCC1C1=CN=CC=C1,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3",SNICXCGAKADSCV-UHFFFAOYSA-N,DTXCID9028128,Public_Low,-,-,-,-,3,-,-,-,-,-,-
"2,3-Dimethyl-1,2,3,4-tetrahydroquinoxaline",CASRN:7739-04-0,DTXSID90998604,CC1NC2=CC=CC=C2NC1C,CC1NC2=CC=CC=C2NC1C,C10H14N2,162.1156985,"InChI=1S/C10H14N2/c1-7-8(2)12-10-6-4-3-5-9(10)11-7/h3-8,11-12H,1-2H3",JKMHQZSBOQTMRG-UHFFFAOYSA-N,DTXCID401425590,Public_Low,-,-,-,-,2,-,-,-,-,-,-
4-Methyl-1-phenylpyrazolidin-3-one,CASRN:2654-57-1,DTXSID8044412,CC1CN(NC1=O)C1=CC=CC=C1,CC1CN(NC1=O)C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8-7-12(11-10(8)13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,13)",ZZEYCGJAYIHIAZ-UHFFFAOYSA-N,DTXCID6024412,DSSTox_Low,0.000000034,6.161137441,-,99,37,-,1,1,1,-,1
Cotinine,CASRN:486-56-6,DTXSID1047576,CN1[C@@H](CCC1=O)C1=CN=CC=C1,CN1C(CCC1=O)C1=CN=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3",UIKROCXWUNQSPJ-UHFFFAOYSA-N,DTXCID4027577,DSSTox_Low,0.000000117,0.473933649,3467,120,68,-,1,1,1,1,1
(+-)-Cotinine,CASRN:NOCAS_47577,DTXSID6047577,CN1C(CCC1=O)C1=CN=CC=C1,CN1C(CCC1=O)C1=CN=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3",UIKROCXWUNQSPJ-UHFFFAOYSA-N,DTXCID4027577,DSSTox_Low,-,-,-,61,12,-,-,-,-,-,1
Serotonin,CASRN:50-67-9,DTXSID8075330,NCCC1=CNC2=CC=C(O)C=C12,NCCC1=CNC2=CC=C(O)C=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2",QZAYGJVTTNCVMB-UHFFFAOYSA-N,DTXCID4040765,Public_High,-,-,78958,147,37,-,-,1,1,1,1
"5-Pyrimidinol, 1,4,5,6-tetrahydro-5-phenyl-, monohydrochloride",CASRN:114703-64-9,DTXSID60150838,Cl.OC1(CNC=NC1)C1=CC=CC=C1,OC1(CNC=NC1)c1ccccc1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-10(6-11-8-12-7-10)9-4-2-1-3-5-9/h1-5,8,13H,6-7H2,(H,11,12)",KWZCOMAWTOXJNL-UHFFFAOYSA-N,DTXCID50199458,Public_Medium,-,-,-,14,3,-,-,-,-,-,-
N-Cyclopropyl-N'-phenylurea,CASRN:13140-86-8,DTXSID80157026,O=C(NC1CC1)NC1=CC=CC=C1,O=C(NC1CC1)NC1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-10(12-9-6-7-9)11-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,11,12,13)",GAVZUXBKQVMADB-UHFFFAOYSA-N,DTXCID9079517,Public_Medium,-,-,-,27,7,-,-,-,-,-,-
Serotonin hydrochloride,CASRN:153-98-0,DTXSID80165186,Cl.NCCC1=CNC2=C1C=C(O)C=C2,NCCC1=CNC2=CC=C(O)C=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2",QZAYGJVTTNCVMB-UHFFFAOYSA-N,DTXCID4040765,Public_Medium,-,-,-,93,13,-,-,1,-,-,-
Serotonin succinate,CASRN:21716-89-2,DTXSID90176107,OC(=O)CCC([O-])=O.[NH3+]CCC1=CNC2=C1C=C(O)C=C2,NCCC1=CNC2=CC=C(O)C=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2",QZAYGJVTTNCVMB-UHFFFAOYSA-N,DTXCID4040765,Public_Medium,-,-,-,9,3,-,-,-,-,-,-
"4H-3,1-Benzoxazin-2-imine, 1,2-dihydro-4,4-dimethyl-",CASRN:22796-63-0,DTXSID00177347,CC1(C)OC(N)=NC2=CC=CC=C12,CC1(C)OC(N)=NC2=CC=CC=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-10(2)7-5-3-4-6-8(7)12-9(11)13-10/h3-6H,1-2H3,(H2,11,12)",RXAVXDBLOBNIFT-UHFFFAOYSA-N,DTXCID3099838,Public_Medium,-,-,-,10,3,-,-,-,-,-,-
"o-Toluidine, N-(2-oxazolin-2-yl)-",CASRN:23417-34-7,DTXSID00177968,CC1=CC=CC=C1NC1=NCCO1,CC1=CC=CC=C1NC1=NCCO1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8-4-2-3-5-9(8)12-10-11-6-7-13-10/h2-5H,6-7H2,1H3,(H,11,12)",QLOGFFCTOGPFIU-UHFFFAOYSA-N,DTXCID60100459,Public_Medium,-,-,-,19,4,-,-,-,-,-,-
2-Benzimidazolepropanol,CASRN:2403-66-9,DTXSID40178777,OCCCC1=NC2=CC=CC=C2N1,OCCCC1=NC2=CC=CC=C2N1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-7-3-6-10-11-8-4-1-2-5-9(8)12-10/h1-2,4-5,13H,3,6-7H2,(H,11,12)",CQFSGSFSOWEIGO-UHFFFAOYSA-N,DTXCID00101268,Public_Medium,-,-,-,80,12,-,-,-,1,-,1
Serotonin sulfate,CASRN:2906-14-1,DTXSID80183305,OS([O-])(=O)=O.[NH3+]CCC1=CNC2=C1C=C(O)C=C2,NCCC1=CNC2=CC=C(O)C=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2",QZAYGJVTTNCVMB-UHFFFAOYSA-N,DTXCID4040765,Public_Medium,-,-,12,11,5,-,-,-,-,-,-
"1,4,5,6-Tetrahydro-5-phenoxypyrimidine",CASRN:31822-84-1,DTXSID90185693,C1NC=NCC1OC1=CC=CC=C1,C1NC=NCC1Oc1ccccc1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-2-4-9(5-3-1)13-10-6-11-8-12-7-10/h1-5,8,10H,6-7H2,(H,11,12)",OIGIQMJAAZXDQH-UHFFFAOYSA-N,DTXCID00219276,Public_Medium,-,-,-,14,7,-,-,-,-,-,-
"Benzoic acid, isopropylidenehydrazide",CASRN:3408-16-0,DTXSID30187676,CC(C)=NNC(=O)C1=CC=CC=C1,CC(C)N=NC(=O)C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8(2)11-12-10(13)9-6-4-3-5-7-9/h3-8H,1-2H3",RZEGVKBUMJHNNU-UHFFFAOYSA-N,DTXCID101280632,Public_Medium,-,-,-,38,3,-,-,-,-,-,-
"Benzamide, 4-amino-N-cyclopropyl-",CASRN:38681-77-5,DTXSID10191978,NC1=CC=C(C=C1)C(=O)NC1CC1,NC1=CC=C(C=C1)C(=O)NC1CC1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-8-3-1-7(2-4-8)10(13)12-9-5-6-9/h1-4,9H,5-6,11H2,(H,12,13)",TZPIKGCQLFRHGR-UHFFFAOYSA-N,DTXCID50114469,Public_Medium,-,-,-,51,4,-,-,-,-,-,-
"3(2H)-Isoquinolinone, 1,4-dihydro-2-(methylamino)-",CASRN:39191-73-6,DTXSID60192435,CNN1CC2=CC=CC=C2CC1=O,CNN1CC2=CC=CC=C2CC1=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-11-12-7-9-5-3-2-4-8(9)6-10(12)13/h2-5,11H,6-7H2,1H3",LPMXHTSWSHVNSG-UHFFFAOYSA-N,DTXCID70114926,Public_Medium,-,-,-,10,3,-,-,-,-,-,-
6-Hydroxytryptamine,CASRN:443-31-2,DTXSID10196105,NCCC1=CNC2=C1C=CC(O)=C2,NCCC1=CNC2=C1C=CC(O)=C2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-5-8(13)1-2-9(7)10/h1-2,5-6,12-13H,3-4,11H2",WZTKTNRVJAMKAS-UHFFFAOYSA-N,DTXCID80118596,Public_Medium,-,-,17,31,9,-,-,-,-,-,-
"1H-Benzimidazole, 2-propoxy-",CASRN:52602-90-1,DTXSID20200585,CCCOC1=NC2=CC=CC=C2N1,CCCOC1=NC2=CC=CC=C2N1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-2-7-13-10-11-8-5-3-4-6-9(8)12-10/h3-6H,2,7H2,1H3,(H,11,12)",VJWNLHRQOCVMNI-UHFFFAOYSA-N,DTXCID50123076,Public_Medium,-,-,-,18,3,-,-,-,-,-,-
4-Hydroxytryptamine,CASRN:570-14-9,DTXSID30205607,NCCC1=CNC2=C1C(O)=CC=C2,NCCC1=CNC2=C1C(O)=CC=C2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-5-4-7-6-12-8-2-1-3-9(13)10(7)8/h1-3,6,12-13H,4-5,11H2",FKIRTWDHOWAQGX-UHFFFAOYSA-N,DTXCID20128098,Public_Medium,-,-,-,24,8,-,-,-,-,-,-
"2-Oxazolamine, 4,5-dihydro-N-(3-methylphenyl)- (9CI)",CASRN:65536-43-8,DTXSID90215828,CC1=CC(NC2=NCCO2)=CC=C1,CC1=CC(NC2=NCCO2)=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8-3-2-4-9(7-8)12-10-11-5-6-13-10/h2-4,7H,5-6H2,1H3,(H,11,12)",MKENSKQNBRWBOI-UHFFFAOYSA-N,DTXCID20138319,Public_Medium,-,-,-,17,4,-,-,-,-,-,-
"Benzylamine, N-(2-oxazolinyl)-",CASRN:65536-79-0,DTXSID50215829,C(NC1=NCCO1)C1=CC=CC=C1,C(NC1=NCCO1)C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-2-4-9(5-3-1)8-12-10-11-6-7-13-10/h1-5H,6-8H2,(H,11,12)",DBCGDMLNSRGMLI-UHFFFAOYSA-N,DTXCID30138320,Public_Medium,-,-,-,13,3,-,-,-,-,-,-
"Oxazolidine, 2-imino-4-methyl-5-phenyl-, hydrobromide (Z)-(+-)-",CASRN:75343-74-7,DTXSID50226314,Br.C[C@H]1N=C(N)O[C@H]1C1=CC=CC=C1,CC1N=C(N)OC1C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H2,11,12)",LJQBMYDFWFGESC-UHFFFAOYSA-N,DTXCID70206653,Public_Medium,-,-,19,7,5,-,-,-,-,-,-
"1-Aziridinecarboxamide, N-(p-tolyl)-",CASRN:829-65-2,DTXSID30232074,CC1=CC=C(NC(=O)N2CC2)C=C1,CC1=CC=C(NC(=O)N2CC2)C=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8-2-4-9(5-3-8)11-10(13)12-6-7-12/h2-5H,6-7H2,1H3,(H,11,13)",YZLZQBPZTCOFAD-UHFFFAOYSA-N,DTXCID30154565,Public_Medium,-,-,-,16,5,-,-,1,-,-,-
1-methyl-5-(pyridin-2-yl)pyrrolidin-2-one,CASRN:147732-31-8,DTXSID00274300,CN1C(CCC1=O)C1=CC=CC=N1,CN1C(CCC1=O)C1=CC=CC=N1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-12-9(5-6-10(12)13)8-4-2-3-7-11-8/h2-4,7,9H,5-6H2,1H3",MCWXBYVNZTVRNA-UHFFFAOYSA-N,DTXCID20875939,Public_Low,-,-,-,27,2,-,-,-,-,-,-
2-amino-1-(1H-indol-3-yl)ethanol,CASRN:46168-27-8,DTXSID60275636,NCC(O)C1=CNC2=CC=CC=C12,NCC(O)C1=CNC2=CC=CC=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-5-10(13)8-6-12-9-4-2-1-3-7(8)9/h1-4,6,10,12-13H,5,11H2",UMDWJYHTZUWTET-UHFFFAOYSA-N,DTXCID30876194,Public_Low,-,-,-,22,1,-,-,-,-,-,-
1-Benzylimidazolidin-2-one,CASRN:2385-38-8,DTXSID30282716,O=C1NCCN1CC1=CC=CC=C1,O=C1NCCN1CC1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-10-11-6-7-12(10)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,13)",IXNSPEIJKZNYLL-UHFFFAOYSA-N,DTXCID10233867,Public_Low,-,-,-,44,3,-,-,-,-,-,-
1-benzylaziridine-2-carboxamide,CASRN:35216-54-7,DTXSID10282830,NC(=O)C1CN1CC1=CC=CC=C1,NC(=O)C1CN1CC1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-10(13)9-7-12(9)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,11,13)",OBOFDUNTFQIVGD-UHFFFAOYSA-N,DTXCID90878694,Public_Low,-,-,-,17,2,-,-,-,-,-,-
"2-(4-Methoxyphenyl)-4,5-dihydro-1H-imidazole",CASRN:6302-84-7,DTXSID40285359,COC1=CC=C(C=C1)C1=NCCN1,COC1=CC=C(C=C1)C1=NCCN1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-13-9-4-2-8(3-5-9)10-11-6-7-12-10/h2-5H,6-7H2,1H3,(H,11,12)",LPRQSQCAHSRGRZ-UHFFFAOYSA-N,DTXCID10236510,Public_Low,-,-,-,37,7,-,-,1,-,-,-
"1-(3,4-dihydroquinoxalin-1(2h)-yl)ethanone",CASRN:6639-92-5,DTXSID30287105,CC(=O)N1CCNC2=CC=CC=C12,CC(=O)N1CCNC2=CC=CC=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8(13)12-7-6-11-9-4-2-3-5-10(9)12/h2-5,11H,6-7H2,1H3",ULCUOMDKLGPXDF-UHFFFAOYSA-N,DTXCID30238253,Public_Low,-,-,-,26,2,-,-,-,-,-,-
3-Phenylpiperazin-2-one,CASRN:5368-28-5,DTXSID80290689,O=C1NCCNC1C1=CC=CC=C1,O=C1NCCNC1C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-10-9(11-6-7-12-10)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)",WKFFHKBGGZHQAX-UHFFFAOYSA-N,DTXCID70951358,Public_Low,-,-,-,69,3,-,-,-,-,-,-
1-Acetyl-6-aminoindoline,CASRN:62368-29-0,DTXSID00293172,CC(=O)N1CCC2=C1C=C(N)C=C2,CC(=O)N1CCC2=C1C=C(N)C=C2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7(13)12-5-4-8-2-3-9(11)6-10(8)12/h2-3,6H,4-5,11H2,1H3",LOZKZWIQDVEDCQ-UHFFFAOYSA-N,DTXCID10244312,Public_Low,-,-,-,81,3,-,-,-,-,-,-
1-(2-phenylcyclopropyl)urea,CASRN:90917-95-6,DTXSID40297674,NC(=O)NC1CC1C1=CC=CC=C1,NC(=O)NC1CC1C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-10(13)12-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6H2,(H3,11,12,13)",AVVMSHVXSGLTEZ-UHFFFAOYSA-N,DTXCID30953136,Public_Low,-,-,-,16,2,-,-,-,-,-,-
1-Acetyl-5-aminoindoline,CASRN:4993-96-8,DTXSID30303430,CC(=O)N1CCC2=C1C=CC(N)=C2,CC(=O)N1CCC2=C1C=CC(N)=C2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7(13)12-5-4-8-6-9(11)2-3-10(8)12/h2-3,6H,4-5,11H2,1H3",WSDUFDGEYKOQRT-UHFFFAOYSA-N,DTXCID60254562,Public_Low,-,-,-,76,4,-,-,-,-,-,-
MLS000756324,CASRN:6761-86-0,DTXSID40304019,CC1=CC2=C(C=C1C)N=C(CO)N2,CC1=CC2=C(C=C1C)N=C(CO)N2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-6-3-8-9(4-7(6)2)12-10(5-13)11-8/h3-4,13H,5H2,1-2H3,(H,11,12)",NLTYZPBQHXXZGL-UHFFFAOYSA-N,DTXCID20255151,Public_Low,-,-,-,31,4,-,-,-,-,-,-
(Pyridin-3-yl)(pyrrolidin-1-yl)methanone,CASRN:77727-88-9,DTXSID30308400,O=C(N1CCCC1)C1=CN=CC=C1,O=C(N1CCCC1)C1=CN=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-10(12-6-1-2-7-12)9-4-3-5-11-8-9/h3-5,8H,1-2,6-7H2",UVTAMWNTYFEONL-UHFFFAOYSA-N,DTXCID10259527,Public_Low,-,-,-,30,3,-,-,-,-,-,-
3-hydroxy-2-(methylamino)-3-phenylpropanenitrile,CASRN:64399-68-4,DTXSID10316083,CNC(C#N)C(O)C1=CC=CC=C1,CNC(C#N)C(O)C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-12-9(7-11)10(13)8-5-3-2-4-6-8/h2-6,9-10,12-13H,1H3",CHPQFTNGMKSQNS-UHFFFAOYSA-N,DTXCID50958966,Public_Low,-,-,-,11,2,-,-,-,-,-,-
2-(4-hydroxyphenylamino)-2-methylpropanenitrile,CASRN:26850-26-0,DTXSID90325496,CC(C)(NC1=CC=C(O)C=C1)C#N,CC(C)(NC1=CC=C(O)C=C1)C#N,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-10(2,7-11)12-8-3-5-9(13)6-4-8/h3-6,12-13H,1-2H3",MSDNIFRUGJFOGS-UHFFFAOYSA-N,DTXCID10276613,Public_Low,-,-,-,14,2,-,-,-,-,-,-
"2-Butenamide, 3-amino-N-phenyl-, (Z)-",CASRN:59846-47-8,DTXSID00325609,CC(N)=CC(=O)NC1=CC=CC=C1,CC(=N)CC(=O)NC1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8(11)7-10(13)12-9-5-3-2-4-6-9/h2-6,11H,7H2,1H3,(H,12,13)",LVMQOUFBHAAVKN-UHFFFAOYSA-N,DTXCID801192517,Public_Low,-,-,-,10,1,-,-,-,-,-,-
NSC664008,CASRN:138023-42-4,DTXSID60327528,OC1=CC=CC2=C1N1CCN2CC1,OC1=CC=CC2=C1N1CCN2CC1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-9-3-1-2-8-10(9)12-6-4-11(8)5-7-12/h1-3,13H,4-7H2",RSJBFPXRLGYGJS-UHFFFAOYSA-N,DTXCID30278639,Public_Low,-,-,-,20,2,-,-,-,-,-,-
5-Methyl-2-phenyl-3-pyrzolidinone,CASRN:13292-56-3,DTXSID20332597,CC1CC(=O)N(N1)C1=CC=CC=C1,CC1CC(=O)N(N1)C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3",NSVAOQFPUMLQNO-UHFFFAOYSA-N,DTXCID70964665,Public_Low,-,-,-,35,1,-,-,-,-,-,-
"Nornicotine, N-formyl",CASRN:3000-81-5,DTXSID30336006,O=CN1CCCC1C1=CN=CC=C1,O=CN1CCCC1C1=CN=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-8-12-6-2-4-10(12)9-3-1-5-11-7-9/h1,3,5,7-8,10H,2,4,6H2",GQLSEYOOXBRDFZ-UHFFFAOYSA-N,DTXCID30942060,Public_Low,-,-,-,21,3,-,-,-,-,-,1
"5-(p-Tolyl)-4,5-dihydrooxazol-2-amine",CASRN:959249-62-8,DTXSID50338709,CC1=CC=C(C=C1)C1CN=C(N)O1,CC1=CC=C(C=C1)C1CN=C(N)O1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-2-4-8(5-3-7)9-6-12-10(11)13-9/h2-5,9H,6H2,1H3,(H2,11,12)",ZEQYKJRCFOFECD-UHFFFAOYSA-N,DTXCID20908594,Public_Low,-,-,-,14,1,-,-,-,-,-,-
"Hydrazinecarboxaldehyde, methyl(2-phenylethylidene)-",CASRN:61748-17-2,DTXSID20339849,CN(C=O)N=CCC1=CC=CC=C1,CN(C=O)N=CCC1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-12(9-13)11-8-7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3",KGFYAEVMICWODR-UHFFFAOYSA-N,DTXCID10290930,Public_Low,-,-,-,4,2,-,-,-,-,-,-
"5-Ethyl-3-phenyl-2,5-dihydro-1,2,4-oxadiazole",CASRN:37467-27-9,DTXSID40341904,CCC1ONC(=N1)C1=CC=CC=C1,CCC1ONC(=N1)C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-2-9-11-10(12-13-9)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,11,12)",JNPWYKIHZBOIQS-UHFFFAOYSA-N,DTXCID80891519,Public_Low,-,-,-,16,2,-,-,-,-,-,-
"2-Benzoxazolamine, N-propyl-",CASRN:28291-80-7,DTXSID30342783,CCCNC1=NC2=CC=CC=C2O1,CCCNC1=NC2=CC=CC=C2O1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-2-7-11-10-12-8-5-3-4-6-9(8)13-10/h3-6H,2,7H2,1H3,(H,11,12)",KRJKEIKSZSQTTG-UHFFFAOYSA-N,DTXCID90293863,Public_Low,-,-,-,16,4,-,-,1,-,-,-
"2,2-Dimethyl-2,3-dihydro-4(1H)-quinazolinone",CASRN:77726-78-4,DTXSID40344218,CC1(C)NC(=O)C2=CC=CC=C2N1,CC1(C)NC(=O)C2=CC=CC=C2N1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-10(2)11-8-6-4-3-5-7(8)9(13)12-10/h3-6,11H,1-2H3,(H,12,13)",BXJMRXBQNLKDCI-UHFFFAOYSA-N,DTXCID60295293,Public_Low,-,-,-,33,3,-,-,-,-,-,-
"3,3-dimethyl-3,4-dihydroquinoxalin-2(1H)-one",CASRN:80636-30-2,DTXSID70344226,CC1(C)NC2=CC=CC=C2NC1=O,CC1(C)NC2=CC=CC=C2NC1=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-10(2)9(13)11-7-5-3-4-6-8(7)12-10/h3-6,12H,1-2H3,(H,11,13)",RDKNTOVJVFYGPA-UHFFFAOYSA-N,DTXCID30295301,Public_Low,-,-,-,81,5,-,-,-,-,-,-
"1,3,5-trimethyl-3-hydrobenzimidazol-2-one",CASRN:55327-67-8,DTXSID40344950,CN1C(=O)N(C)C2=C1C=CC(C)=C2,CN1C(=O)N(C)C2=C1C=CC(C)=C2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-4-5-8-9(6-7)12(3)10(13)11(8)2/h4-6H,1-3H3",ZKTCCUHXIBVVNU-UHFFFAOYSA-N,DTXCID20296024,Public_Low,-,-,-,25,1,-,-,-,-,-,-
1-(3-aminophenyl)pyrrolidin-2-one,CASRN:31992-43-5,DTXSID60350593,NC1=CC(=CC=C1)N1CCCC1=O,NC1=CC(=CC=C1)N1CCCC1=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-8-3-1-4-9(7-8)12-6-2-5-10(12)13/h1,3-4,7H,2,5-6,11H2",ZQGGRBIDRBYUJS-UHFFFAOYSA-N,DTXCID00301660,Public_Low,-,-,-,71,2,-,-,-,-,-,-
2-(2-Methyl-1H-benzimidazol-1-yl)ethan-1-ol,CASRN:4946-08-1,DTXSID40354019,CC1=NC2=CC=CC=C2N1CCO,CC1=NC2=CC=CC=C2N1CCO,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8-11-9-4-2-3-5-10(9)12(8)6-7-13/h2-5,13H,6-7H2,1H3",CURPBJGJXFWNMF-UHFFFAOYSA-N,DTXCID00305082,Public_Low,-,-,-,57,2,-,-,-,-,-,-
(1-ethyl-1H-benzimidazol-2-yl)methanol,CASRN:21269-78-3,DTXSID60355407,CCN1C(CO)=NC2=CC=CC=C12,CCN1C(CO)=NC2=CC=CC=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-2-12-9-6-4-3-5-8(9)11-10(12)7-13/h3-6,13H,2,7H2,1H3",YPMCFIDLEKUBHI-UHFFFAOYSA-N,DTXCID90306467,Public_Low,-,-,-,54,2,-,-,-,-,-,-
2-(methoxymethyl)-5-methyl-1H-benzimidazole,CASRN:630091-38-2,DTXSID70358924,COCC1=NC2=C(N1)C=C(C)C=C2,COCC1=NC2=C(N1)C=C(C)C=C2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-3-4-8-9(5-7)12-10(11-8)6-13-2/h3-5H,6H2,1-2H3,(H,11,12)",RQKDVZDASNHPNC-UHFFFAOYSA-N,DTXCID50309979,Public_Low,-,-,-,31,1,-,-,-,-,-,-
"1-Ethyl-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",CASRN:94341-88-5,DTXSID90363636,CCN1C(C)=CC(C)=C(C#N)C1=O,CCN1C(C)=CC(C)=C(C#N)C1=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-4-12-8(3)5-7(2)9(6-11)10(12)13/h5H,4H2,1-3H3",PZDDLFYODDQVRM-UHFFFAOYSA-N,DTXCID90314683,Public_Low,-,-,-,41,2,-,-,-,-,-,-
1-benzylimidazolidin-4-one,CASRN:114981-11-2,DTXSID00363869,O=C1CN(CC2=CC=CC=C2)CN1,O=C1CN(CC2=CC=CC=C2)CN1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-10-7-12(8-11-10)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,13)",KDSSDDTWCXOPQH-UHFFFAOYSA-N,DTXCID40314916,Public_Low,-,-,-,37,2,-,-,-,-,-,-
1-Phenyltetrahydropyrimidin-2(1H)-one,CASRN:56535-85-4,DTXSID00363884,O=C1NCCCN1C1=CC=CC=C1,O=C1NCCCN1C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-10-11-7-4-8-12(10)9-5-2-1-3-6-9/h1-3,5-6H,4,7-8H2,(H,11,13)",UMIOVNLOMRBFII-UHFFFAOYSA-N,DTXCID40314931,Public_Low,-,-,-,30,2,-,-,-,-,-,-
"1-Propyl-1,3-dihydro-2H-benzimidazol-2-one",CASRN:77557-01-8,DTXSID10364125,CCCN1C(=O)NC2=CC=CC=C12,CCCN1C(=O)NC2=CC=CC=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-2-7-12-9-6-4-3-5-8(9)11-10(12)13/h3-6H,2,7H2,1H3,(H,11,13)",YNFLIDHXMNKSQR-UHFFFAOYSA-N,DTXCID50315171,Public_Low,-,-,-,46,2,-,-,-,-,-,-
"1-(Propan-2-yl)-1,3-dihydro-2H-benzimidazol-2-one",CASRN:35681-40-4,DTXSID80364713,CC(C)N1C(=O)NC2=CC=CC=C12,CC(C)N1C(=O)NC2=CC=CC=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7(2)12-9-6-4-3-5-8(9)11-10(12)13/h3-7H,1-2H3,(H,11,13)",IKWYGATUQXCBFU-UHFFFAOYSA-N,DTXCID90315756,Public_Low,-,-,-,55,3,-,-,-,-,-,-
1-(4-methylphenyl)pyrazolidin-3-one,CASRN:3352-86-1,DTXSID10365591,CC1=CC=C(C=C1)N1CCC(=O)N1,CC1=CC=C(C=C1)N1CCC(=O)N1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8-2-4-9(5-3-8)12-7-6-10(13)11-12/h2-5H,6-7H2,1H3,(H,11,13)",SVJPLZNMCJQWPJ-UHFFFAOYSA-N,DTXCID80316631,Public_Low,-,-,-,34,3,-,-,-,-,-,-
1-(2-methoxyethyl)benzimidazole,CASRN:118468-98-7,DTXSID70365739,COCCN1C=NC2=CC=CC=C12,COCCN1C=NC2=CC=CC=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-13-7-6-12-8-11-9-4-2-3-5-10(9)12/h2-5,8H,6-7H2,1H3",JEUJFDMULHJHDL-UHFFFAOYSA-N,DTXCID00316779,Public_Low,-,-,-,27,1,-,-,-,-,-,-
2-amino-N-cyclopropylbenzamide,CASRN:30510-67-9,DTXSID50366128,NC1=CC=CC=C1C(=O)NC1CC1,NC1=CC=CC=C1C(=O)NC1CC1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-9-4-2-1-3-8(9)10(13)12-7-5-6-7/h1-4,7H,5-6,11H2,(H,12,13)",YGCVNEQVUUMKJL-UHFFFAOYSA-N,DTXCID80317168,Public_Low,-,-,-,57,2,-,-,-,-,-,-
N-allyl-2-aminobenzamide,CASRN:4943-82-2,DTXSID00366214,NC1=CC=CC=C1C(=O)NCC=C,NC1=CC=CC=C1C(=O)NCC=C,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-2-7-12-10(13)8-5-3-4-6-9(8)11/h2-6H,1,7,11H2,(H,12,13)",RHINWRKJVGGOJR-UHFFFAOYSA-N,DTXCID30317254,Public_Low,-,-,-,42,2,-,-,-,-,-,-
3-(3-Methoxyanilino)propanenitrile,CASRN:26424-07-7,DTXSID50367872,COC1=CC=CC(NCCC#N)=C1,COC1=CC=CC(NCCC#N)=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-13-10-5-2-4-9(8-10)12-7-3-6-11/h2,4-5,8,12H,3,7H2,1H3",SJJLNXJJMNKZKF-UHFFFAOYSA-N,DTXCID00318910,Public_Low,-,-,-,32,2,-,-,-,-,-,-
3-(2-Methoxyanilino)propanenitrile,CASRN:27472-15-7,DTXSID80367986,COC1=CC=CC=C1NCCC#N,COC1=CC=CC=C1NCCC#N,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-13-10-6-3-2-5-9(10)12-8-4-7-11/h2-3,5-6,12H,4,8H2,1H3",LUIMFCWRORVFTC-UHFFFAOYSA-N,DTXCID60319024,Public_Low,-,-,-,30,3,-,-,-,-,-,-
3-(4-methoxyanilino)propanenitrile,CASRN:33141-33-2,DTXSID60368032,COC1=CC=C(NCCC#N)C=C1,COC1=CC=C(NCCC#N)C=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-13-10-5-3-9(4-6-10)12-8-2-7-11/h3-6,12H,2,8H2,1H3",SUFDSOYDJABSBR-UHFFFAOYSA-N,DTXCID70319070,Public_Low,-,-,-,38,3,-,-,-,-,-,-
"1-(7-Amino-2,3-dihydro-1H-indol-1-yl)ethan-1-one",CASRN:51501-31-6,DTXSID50370629,CC(=O)N1CCC2=C1C(N)=CC=C2,CC(=O)N1CCC2=C1C(N)=CC=C2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7(13)12-6-5-8-3-2-4-9(11)10(8)12/h2-4H,5-6,11H2,1H3",ZFSYJCQFOKJSFE-UHFFFAOYSA-N,DTXCID20321663,Public_Low,-,-,-,56,2,-,-,-,-,-,-
"3-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)pyridine",CASRN:68981-86-2,DTXSID20371148,CC1(C)COC(=N1)C1=CN=CC=C1,CC1(C)COC(=N1)C1=CN=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-10(2)7-13-9(12-10)8-4-3-5-11-6-8/h3-6H,7H2,1-2H3",XYABHURTMBEOGW-UHFFFAOYSA-N,DTXCID90322182,Public_Low,-,-,-,50,1,-,-,-,-,-,-
"2-propyl-1,3-benzoxazol-6-amine",CASRN:875851-66-4,DTXSID00377183,CCCC1=NC2=C(O1)C=C(N)C=C2,CCCC1=NC2=C(O1)C=C(N)C=C2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-2-3-10-12-8-5-4-7(11)6-9(8)13-10/h4-6H,2-3,11H2,1H3",MGJVXCVORIBARV-UHFFFAOYSA-N,DTXCID00328211,Public_Low,-,-,-,31,1,-,-,-,-,-,-
2-(1-pyrrolidinyl)nicotinaldehyde,CASRN:690632-39-4,DTXSID40383389,O=CC1=C(N=CC=C1)N1CCCC1,O=CC1=C(N=CC=C1)N1CCCC1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-8-9-4-3-5-11-10(9)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2",FTACFSVJFQMXQE-UHFFFAOYSA-N,DTXCID00334413,Public_Low,-,-,-,31,1,-,-,-,-,-,-
6-(Pyrrolidin-1-yl)pyridine-3-carbaldehyde,CASRN:261715-39-3,DTXSID00383401,O=CC1=CN=C(C=C1)N1CCCC1,O=CC1=CN=C(C=C1)N1CCCC1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-8-9-3-4-10(11-7-9)12-5-1-2-6-12/h3-4,7-8H,1-2,5-6H2",FFFAXGTZBUMKTI-UHFFFAOYSA-N,DTXCID70334425,Public_Low,-,-,-,66,2,-,-,-,-,-,-
"(1,2-Dimethyl-1H-benzo[d]imidazol-5-yl)methanol",CASRN:4589-66-6,DTXSID50388188,CN1C(C)=NC2=C1C=CC(CO)=C2,CN1C(C)=NC2=C1C=CC(CO)=C2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-11-9-5-8(6-13)3-4-10(9)12(7)2/h3-5,13H,6H2,1-2H3",DTWCONPNVHZPJS-UHFFFAOYSA-N,DTXCID90339210,Public_Low,-,-,-,28,2,-,-,-,-,-,-
"3-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one",CASRN:54028-76-1,DTXSID90389992,CC1CNC2=CC=CC=C2NC1=O,CC1CNC2=CC=CC=C2NC1=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-6-11-8-4-2-3-5-9(8)12-10(7)13/h2-5,7,11H,6H2,1H3,(H,12,13)",NSAVOLZYPAFSLW-UHFFFAOYSA-N,DTXCID90821423,Public_Low,-,-,-,46,1,-,-,-,-,-,-
1-(5-methyl-1H-benzimidazol-2-yl)ethanol,CASRN:20033-97-0,DTXSID40390275,CC(O)C1=NC2=C(N1)C=C(C)C=C2,CC(O)C1=NC2=CC=C(C)C=C2N1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-6-3-4-8-9(5-6)12-10(11-8)7(2)13/h3-5,7,13H,1-2H3,(H,11,12)",PMZZBUJEPJUANN-UHFFFAOYSA-N,DTXCID50821505,Public_Low,-,-,-,54,2,-,-,-,-,-,-
"4-ethyl-1,3-dihydroquinoxalin-2-one",CASRN:90917-94-5,DTXSID80391923,CCN1CC(=O)NC2=CC=CC=C12,CCN1CC(=O)NC2=CC=CC=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-2-12-7-10(13)11-8-5-3-4-6-9(8)12/h3-6H,2,7H2,1H3,(H,11,13)",UHWCUWHJCAXFJR-UHFFFAOYSA-N,DTXCID90342784,Public_Low,-,-,-,20,1,-,-,-,-,-,-
"Pyridine, 2-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)-",CASRN:109660-12-0,DTXSID50395559,CC1(C)COC(=N1)C1=CC=CC=N1,CC1(C)COC(=N1)C1=CC=CC=N1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-10(2)7-13-9(12-10)8-5-3-4-6-11-8/h3-6H,7H2,1-2H3",ZANPCQHDEUORJP-UHFFFAOYSA-N,DTXCID80346418,Public_Low,-,-,-,14,1,-,-,-,-,-,-
4-methyl-2-phenylpyrazolidin-3-one,CASRN:14776-41-1,DTXSID00395928,CC1CNN(C1=O)C1=CC=CC=C1,CC1CNN(C1=O)C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8-7-11-12(10(8)13)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3",LBZPFGXJKJZTRS-UHFFFAOYSA-N,DTXCID50823165,Public_Low,-,-,-,20,1,-,-,-,-,-,-
"2-(3-methoxyphenyl)-4,5-dihydro-1H-imidazole",CASRN:61161-41-9,DTXSID00396197,COC1=CC=CC(=C1)C1=NCCN1,COC1=CC=CC(=C1)C1=NCCN1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-13-9-4-2-3-8(7-9)10-11-5-6-12-10/h2-4,7H,5-6H2,1H3,(H,11,12)",CMHJEZLVLXJYQT-UHFFFAOYSA-N,DTXCID30347056,Public_Low,-,-,-,20,2,-,-,-,-,-,-
N-[(E)-(Dimethylamino)methylidene]benzamide,CASRN:41876-75-9,DTXSID10401802,CN(C)\\C=N\\C(=O)C1=CC=CC=C1,CN(C)C=NC(=O)C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-12(2)8-11-10(13)9-6-4-3-5-7-9/h3-8H,1-2H3",DKWUEAZDXGFDFD-UHFFFAOYSA-N,DTXCID301048935,Public_Low,-,-,-,42,1,-,-,-,-,-,-
"3-Pyrazolidinone, 5-methyl-1-phenyl-",CASRN:6112-47-6,DTXSID60403018,CC1CC(=O)NN1C1=CC=CC=C1,CC1CC(=O)NN1C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8-7-10(13)11-12(8)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,13)",FIARATPVIIDWJT-UHFFFAOYSA-N,DTXCID70825141,Public_Low,-,-,-,22,2,-,-,-,-,-,-
"3-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one",CASRN:86499-35-6,DTXSID00403254,NC1CCC2=CC=CC=C2NC1=O,NC1CCC2=CC=CC=C2NC1=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6,11H2,(H,12,13)",AUAKXRGQXZRTQC-UHFFFAOYSA-N,DTXCID50825200,Public_Low,-,-,-,74,2,-,-,-,-,-,-
"8-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one",CASRN:22246-76-0,DTXSID50404913,NC1=CC2=C(CCCC(=O)N2)C=C1,NC1=CC2=C(CCCC(=O)N2)C=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-8-5-4-7-2-1-3-10(13)12-9(7)6-8/h4-6H,1-3,11H2,(H,12,13)",XRJMPABWIZHNQA-UHFFFAOYSA-N,DTXCID80355767,Public_Low,-,-,-,60,2,-,-,-,-,-,-
1-benzylpyrazolidin-3-one,CASRN:17826-70-9,DTXSID90405060,O=C1CCN(CC2=CC=CC=C2)N1,O=C1CCN(CC2=CC=CC=C2)N1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-10-6-7-12(11-10)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,13)",NDZNPLRKGDSLQX-UHFFFAOYSA-N,DTXCID30355914,Public_Low,-,-,-,32,3,-,-,-,-,-,-
"1-CARBAMOYL-1,2,3,4-TETRAHYDROQUINOLINE",CASRN:63098-90-8,DTXSID20405174,NC(=O)N1CCCC2=CC=CC=C12,NC(=O)N1CCCC2=CC=CC=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-10(13)12-7-3-5-8-4-1-2-6-9(8)12/h1-2,4,6H,3,5,7H2,(H2,11,13)",ZAFBGRNWOGKKSP-UHFFFAOYSA-N,DTXCID90356028,Public_Low,-,-,-,25,1,-,-,-,-,-,-
"3-Ethyl-3,4-dihydroquinoxalin-2(1H)-one",CASRN:66366-98-1,DTXSID60409651,CCC1NC2=CC=CC=C2NC1=O,CCC1NC2=CC=CC=C2NC1=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-2-7-10(13)12-9-6-4-3-5-8(9)11-7/h3-7,11H,2H2,1H3,(H,12,13)",YRELTDGOEVJYLO-UHFFFAOYSA-N,DTXCID70826936,Public_Low,-,-,-,25,2,-,-,-,-,-,-
AC1NSYWN,CASRN:14478-19-4,DTXSID50415766,C[C@@H]1CCC2=C(C=NC=C12)C(N)=O,CC1CCC2=C1C=NC=C2C(N)=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-6-2-3-7-8(6)4-12-5-9(7)10(11)13/h4-6H,2-3H2,1H3,(H2,11,13)",CPWSAKUPXWXJPQ-UHFFFAOYSA-N,DTXCID00830081,Public_Low,-,-,-,7,1,-,-,-,-,-,-
NSC512750,CASRN:1801-18-9,DTXSID00419916,C\\C(N)=C\\C(=O)NC1=CC=CC=C1,CC(=N)CC(=O)NC1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8(11)7-10(13)12-9-5-3-2-4-6-9/h2-6,11H,7H2,1H3,(H,12,13)",LVMQOUFBHAAVKN-UHFFFAOYSA-N,DTXCID801192517,Public_Low,-,-,-,13,2,-,-,-,-,-,-
"6-(1,3-diazinan-2-ylidene)cyclohexa-2,4-dien-1-one",CASRN:65739-64-2,DTXSID70421743,O=C1C=CC=CC1=C1NCCCN1,O=C1C=CC=CC1C1=NCCCN1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-9-5-2-1-4-8(9)10-11-6-3-7-12-10/h1-2,4-5,8H,3,6-7H2,(H,11,12)",PRBBELVJCSXHIP-UHFFFAOYSA-N,DTXCID001220552,Public_Low,-,-,-,17,1,-,-,-,-,-,-
1-(2-aminophenyl)pyrrolidin-2-one,CASRN:14453-65-7,DTXSID00427692,NC1=CC=CC=C1N1CCCC1=O,NC1=CC=CC=C1N1CCCC1=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-8-4-1-2-5-9(8)12-7-3-6-10(12)13/h1-2,4-5H,3,6-7,11H2",OFWIPSFSNBNOQC-UHFFFAOYSA-N,DTXCID70378526,Public_Low,-,-,-,38,2,-,-,-,-,-,-
3-amino-N-cyclopropylbenzamide,CASRN:871673-24-4,DTXSID50427703,NC1=CC=CC(=C1)C(=O)NC1CC1,NC1=CC=CC(=C1)C(=O)NC1CC1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-8-3-1-2-7(6-8)10(13)12-9-4-5-9/h1-3,6,9H,4-5,11H2,(H,12,13)",XTQFXSVIFJUEAP-UHFFFAOYSA-N,DTXCID80378537,Public_Low,-,-,-,45,1,-,-,-,-,-,-
"7-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one",CASRN:22245-92-7,DTXSID40429110,NC1=CC2=C(NC(=O)CCC2)C=C1,NC1=CC2=C(NC(=O)CCC2)C=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-8-4-5-9-7(6-8)2-1-3-10(13)12-9/h4-6H,1-3,11H2,(H,12,13)",QEZZUFANNFFZIH-UHFFFAOYSA-N,DTXCID40379944,Public_Low,-,-,-,39,1,-,-,-,-,-,-
NSC409351,CASRN:59670-16-5,DTXSID50430454,CC(=O)N\\N=C\\C1=CC=C(C)C=C1,CC(=O)N=NCC1=CC=C(C)C=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8-3-5-10(6-4-8)7-11-12-9(2)13/h3-6H,7H2,1-2H3",KLQZFAKTCCXIAG-UHFFFAOYSA-N,DTXCID701075974,Public_Low,-,-,-,13,3,-,-,-,-,-,-
Serotonin hydrogenoxalate,CASRN:6662-07-3,DTXSID70433164,OC(=O)C(O)=O.NCCC1=CNC2=C1C=C(O)C=C2,NCCC1=CNC2=CC=C(O)C=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2",QZAYGJVTTNCVMB-UHFFFAOYSA-N,DTXCID4040765,Public_Low,-,-,-,23,3,-,-,-,-,-,-
"Piperidine, 2-(5-isoxazolylethynyl)-",CASRN:651314-33-9,DTXSID80433716,C1CCC(NC1)C#CC1=CC=NO1,C1CCC(NC1)C#CC1=CC=NO1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-2-7-11-9(3-1)4-5-10-6-8-12-13-10/h6,8-9,11H,1-3,7H2",TWVTZPUSEBIBAM-UHFFFAOYSA-N,DTXCID50838219,Public_Low,-,-,-,10,1,-,-,-,-,-,-
{[(4-Methoxyphenyl)methyl]amino}acetonitrile,CASRN:63086-28-2,DTXSID40433717,COC1=CC=C(CNCC#N)C=C1,COC1=CC=C(CNCC#N)C=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-13-10-4-2-9(3-5-10)8-12-7-6-11/h2-5,12H,7-8H2,1H3",YLTXKLKHLKFNLB-UHFFFAOYSA-N,DTXCID10384545,Public_Low,-,-,-,19,1,-,-,-,-,-,-
"Benzenecarboximidamide, 4-(2-oxopropyl)-",CASRN:60925-51-1,DTXSID10434458,CC(=O)CC1=CC=C(C=C1)C(N)=N,CC(=O)CC1=CC=C(C=C1)C(N)=N,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7(13)6-8-2-4-9(5-3-8)10(11)12/h2-5H,6H2,1H3,(H3,11,12)",KQDVOAFSTVCSKP-UHFFFAOYSA-N,DTXCID60385284,Public_Low,-,-,-,9,1,-,-,-,-,-,-
"(3R)-3-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one",CASRN:137036-55-6,DTXSID00435595,N[C@@H]1CCC2=CC=CC=C2NC1=O,NC1CCC2=CC=CC=C2NC1=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-8-6-5-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6,11H2,(H,12,13)",AUAKXRGQXZRTQC-UHFFFAOYSA-N,DTXCID50825200,Public_Low,-,-,-,39,2,-,-,-,-,-,-
"Isoxazole, 5-[3-(2-pyrrolidinyl)-1-propynyl]-",CASRN:651314-73-7,DTXSID30438155,C(C#CC1=CC=NO1)C1CCCN1,C(C#CC1=CC=NO1)C1CCCN1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1(3-9-4-2-7-11-9)5-10-6-8-12-13-10/h6,8-9,11H,2-4,7H2",GGMRHLNABFMDIP-UHFFFAOYSA-N,DTXCID30839643,Public_Low,-,-,-,10,1,-,-,-,-,-,-
"4-(1,4,5,6-Tetrahydro-pyrimidin-2-yl)phenol",CASRN:265665-96-1,DTXSID50442370,O=C1C=CC(C=C1)=C1NCCCN1,O=C1C=CC(C=C1)C1=NCCCN1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-9-4-2-8(3-5-9)10-11-6-1-7-12-10/h2-5,8H,1,6-7H2,(H,11,12)",BHSAOPGVBRPFQV-UHFFFAOYSA-N,DTXCID001227041,Public_Low,-,-,-,17,1,-,-,-,-,-,-
N-[(1E)-N-Methylethanimidoyl]benzamide,CASRN:176240-32-7,DTXSID00443958,C\\N=C(/C)NC(=O)C1=CC=CC=C1,C\\N=C(/C)NC(=O)C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8(11-2)12-10(13)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,11,12,13)",ZWBFPAZJOZVWDN-UHFFFAOYSA-N,DTXCID00394779,Public_Low,-,-,-,9,1,-,-,-,-,-,-
6-pyrrolidin-1-ylpyridine-2-carbaldehyde,CASRN:230618-24-3,DTXSID20445313,O=CC1=NC(=CC=C1)N1CCCC1,O=CC1=NC(=CC=C1)N1CCCC1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-8-9-4-3-5-10(11-9)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2",SZOZYXCTOMKVTL-UHFFFAOYSA-N,DTXCID20396134,Public_Low,-,-,-,37,1,-,-,-,-,-,-
(4-methoxy-1H-indol-3-yl)methanamine,CASRN:153310-48-6,DTXSID80448744,COC1=CC=CC2=C1C(CN)=CN2,COC1=CC=CC2=C1C(CN)=CN2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-13-9-4-2-3-8-10(9)7(5-11)6-12-8/h2-4,6,12H,5,11H2,1H3",YKDYCKHEKOEVJM-UHFFFAOYSA-N,DTXCID80399565,Public_Low,-,-,-,21,2,-,-,-,-,-,-
2-FORMYL-4-PYRROLIDIN-1-YL PYRIDINE,CASRN:184304-16-3,DTXSID00454206,O=CC1=NC=CC(=C1)N1CCCC1,O=CC1=NC=CC(=C1)N1CCCC1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-8-9-7-10(3-4-11-9)12-5-1-2-6-12/h3-4,7-8H,1-2,5-6H2",LLTQGXBIVPBBJI-UHFFFAOYSA-N,DTXCID90405025,Public_Low,-,-,-,18,1,-,-,-,-,-,-
"Benzamide, 2-(2-propenylamino)-",CASRN:28736-09-6,DTXSID80456122,NC(=O)C1=CC=CC=C1NCC=C,NC(=O)C1=CC=CC=C1NCC=C,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-2-7-12-9-6-4-3-5-8(9)10(11)13/h2-6,12H,1,7H2,(H2,11,13)",CNPJTDUQTGBTBI-UHFFFAOYSA-N,DTXCID40406941,Public_Low,-,-,-,11,1,-,-,-,-,-,-
4-(3-aminophenyl)pyrrolidin-2-one,CASRN:725233-29-4,DTXSID40458662,NC1=CC=CC(=C1)C1CNC(=O)C1,NC1=CC(=CC=C1)C1CNC(=O)C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-9-3-1-2-7(4-9)8-5-10(13)12-6-8/h1-4,8H,5-6,11H2,(H,12,13)",ZZPPSRMRIPWGTL-UHFFFAOYSA-N,DTXCID30993491,Public_Low,-,-,-,17,1,-,-,-,-,-,-
1-pyridin-4-ylpiperidin-4-one,CASRN:126832-81-3,DTXSID90462597,O=C1CCN(CC1)C1=CC=NC=C1,O=C1CCN(CC1)C1=CC=NC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-10-3-7-12(8-4-10)9-1-5-11-6-2-9/h1-2,5-6H,3-4,7-8H2",MAXMUBIIZUKOJF-UHFFFAOYSA-N,DTXCID20413416,Public_Low,-,-,-,55,1,-,-,-,-,-,-
"6-Butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",CASRN:118420-86-3,DTXSID00465377,CCCCC1=CC=C(C#N)C(=O)N1,CCCCC1=NC(=O)C(=CC1)C#N,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-2-3-4-9-6-5-8(7-11)10(13)12-9/h5H,2-4,6H2,1H3",PLCXCTYZLCJAAL-UHFFFAOYSA-N,DTXCID901233330,Public_Low,-,-,-,20,1,-,-,-,-,-,-
3-(1-methylimidazolin-2-yl)phenol,CASRN:194985-95-0,DTXSID60465378,CN1CCN=C1C1=CC(O)=CC=C1,CN1CCN=C1C1=CC(O)=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-12-6-5-11-10(12)8-3-2-4-9(13)7-8/h2-4,7,13H,5-6H2,1H3",OBZBNMGJXZKUJO-UHFFFAOYSA-N,DTXCID50416197,Public_Low,-,-,-,16,1,-,-,-,-,-,-
1-(pyridin-4-ylmethyl)pyrrolidin-2-one,CASRN:132312-62-0,DTXSID50471640,O=C1CCCN1CC1=CC=NC=C1,O=C1CCCN1CC1=CC=NC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-10-2-1-7-12(10)8-9-3-5-11-6-4-9/h3-6H,1-2,7-8H2",ROGIKWDBLZYABK-UHFFFAOYSA-N,DTXCID10422456,Public_Low,-,-,-,26,1,-,-,-,-,-,-
"Propanedinitrile, methyl(3-oxocyclohexyl)-",CASRN:409306-99-6,DTXSID60479314,CC(C#N)(C#N)C1CCCC(=O)C1,CC(C#N)(C#N)C1CCCC(=O)C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-10(6-11,7-12)8-3-2-4-9(13)5-8/h8H,2-5H2,1H3",IWAAWOKVGONNNO-UHFFFAOYSA-N,DTXCID101009276,Public_Low,-,-,-,5,1,-,-,-,-,-,-
"5H-Cyclopenta[b]pyridine-7-carboxamide, 6,7-dihydro-3-methyl-",CASRN:60169-89-3,DTXSID70483866,CC1=CC2=C(N=C1)C(CC2)C(N)=O,CC1=CC2=C(N=C1)C(CC2)C(N)=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-6-4-7-2-3-8(10(11)13)9(7)12-5-6/h4-5,8H,2-3H2,1H3,(H2,11,13)",YOXYNNAAEOHWCV-UHFFFAOYSA-N,DTXCID001010341,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"5H-Pyrido[3,2-c]azepin-5-one, 6,7,8,9-tetrahydro-2-methyl-",CASRN:61479-33-2,DTXSID80484167,CC1=NC2=C(C=C1)C(=O)NCCC2,CC1=NC2=C(C=C1)C(=O)NCCC2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-4-5-8-9(12-7)3-2-6-11-10(8)13/h4-5H,2-3,6H2,1H3,(H,11,13)",DBQYWOCZPGJAMD-UHFFFAOYSA-N,DTXCID50434977,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"2-Methyl-5,7,8,9-tetrahydro-6H-pyrido[3,2-b]azepin-6-one",CASRN:61479-38-7,DTXSID10484170,CC1=NC2=C(NC(=O)CCC2)C=C1,CC1=NC2=C(NC(=O)CCC2)C=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-5-6-9-8(11-7)3-2-4-10(13)12-9/h5-6H,2-4H2,1H3,(H,12,13)",LDGRXEQZXCEIQQ-UHFFFAOYSA-N,DTXCID80434980,Public_Low,-,-,-,10,1,-,-,-,-,-,-
CTK2E5297,CASRN:61191-33-1,DTXSID50484659,CC1=C(C)C2=C(N1)C=C(C)NC2=O,CC1=C(C)C2=C(CC(C)=NC2=O)N1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-5-4-8-9(10(13)11-5)6(2)7(3)12-8/h12H,4H2,1-3H3",SPHKRTGZHMVQCW-UHFFFAOYSA-N,DTXCID501238338,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"1-Methyl-1,2,3,4-tetrahydro-5H-1,4-benzodiazepin-5-one",CASRN:14359-73-0,DTXSID70490358,CN1CCNC(=O)C2=CC=CC=C12,CN1CCNC(=O)C2=CC=CC=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-12-7-6-11-10(13)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H,11,13)",PXSFWRCYGLJGEK-UHFFFAOYSA-N,DTXCID70441168,Public_Low,-,-,-,8,1,-,-,-,-,-,-
N-(2-Isocyanatoethyl)-N-methylaniline,CASRN:62675-37-0,DTXSID80490364,CN(CCN=C=O)C1=CC=CC=C1,CN(CCN=C=O)C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-12(8-7-11-9-13)10-5-3-2-4-6-10/h2-6H,7-8H2,1H3",PPYUJRCQGVQTLO-UHFFFAOYSA-N,DTXCID80441174,Public_Low,-,-,-,5,1,-,-,-,-,-,-
"3-Methyl-8-nitroso-1,5,6,7-tetrahydroquinoline",CASRN:62230-66-4,DTXSID20493894,CC1=CNC2=C(CCCC2=C1)N=O,CC1C=NC2=C(CCCC2=C1)N=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-5-8-3-2-4-9(12-13)10(8)11-6-7/h5-7H,2-4H2,1H3",XOAAISPJOYYELJ-UHFFFAOYSA-N,DTXCID901310988,Public_Low,-,-,-,9,1,-,-,-,-,-,-
(5S)-1-(~2~H_3_)Methyl-5-(pyridin-3-yl)pyrrolidin-2-one,CASRN:202656-15-3,DTXSID40493912,[2H]C([2H])([2H])N1[C@@H](CCC1=O)C1=CN=CC=C1,CN1C(CCC1=O)C1=CN=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3",UIKROCXWUNQSPJ-UHFFFAOYSA-N,DTXCID4027577,Public_Low,-,-,-,7,1,-,-,-,-,-,-
"(2,2-Dimethyloxan-4-ylidene)propanedinitrile",CASRN:65413-43-6,DTXSID20495333,CC1(C)CC(CCO1)=C(C#N)C#N,CC1(C)CC(CCO1)=C(C#N)C#N,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-10(2)5-8(3-4-13-10)9(6-11)7-12/h3-5H2,1-2H3",YHYIZEQPYZCEGE-UHFFFAOYSA-N,DTXCID20446143,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"1-(3,4-Dihydrophthalazin-2(1H)-yl)ethan-1-one",CASRN:67571-41-9,DTXSID50497168,CC(=O)N1CC2=CC=CC=C2CN1,CC(=O)N1CC2=CC=CC=C2CN1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8(13)12-7-10-5-3-2-4-9(10)6-11-12/h2-5,11H,6-7H2,1H3",FKECKEHRMSYKQQ-UHFFFAOYSA-N,DTXCID20447978,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"6-(2-Methylpropyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile",CASRN:80065-99-2,DTXSID70500800,CC(C)CC1=CC=C(C#N)C(=O)N1,CC(C)CC1=NC(=O)C(=CC1)C#N,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7(2)5-9-4-3-8(6-11)10(13)12-9/h3,7H,4-5H2,1-2H3",URQIWRIFTPWILZ-UHFFFAOYSA-N,DTXCID701243204,Public_Low,-,-,-,13,1,-,-,-,-,-,-
5-Phenyltetrahydropyrimidin-2(1H)-one,CASRN:343332-27-4,DTXSID20503306,O=C1NCC(CN1)C1=CC=CC=C1,O=C1NCC(CN1)C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-10-11-6-9(7-12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,11,12,13)",BWENXQFVCQHWHP-UHFFFAOYSA-N,DTXCID10454116,Public_Low,-,-,-,8,1,-,-,-,-,-,-
1-Ethyl-5-methoxy-1H-benzimidazole,CASRN:79938-40-2,DTXSID30508529,CCN1C=NC2=C1C=CC(OC)=C2,CCN1C=NC2=C1C=CC(OC)=C2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-3-12-7-11-9-6-8(13-2)4-5-10(9)12/h4-7H,3H2,1-2H3",OOYWUJOGJNQRCK-UHFFFAOYSA-N,DTXCID40459336,Public_Low,-,-,-,12,1,-,-,-,-,-,-
3-(1H-Benzimidazol-1-yl)propan-1-ol,CASRN:53953-47-2,DTXSID50510740,OCCCN1C=NC2=CC=CC=C12,OCCCN1C=NC2=CC=CC=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-7-3-6-12-8-11-9-4-1-2-5-10(9)12/h1-2,4-5,8,13H,3,6-7H2",MCUSVJQHGDUXFV-UHFFFAOYSA-N,DTXCID10461547,Public_Low,-,-,-,17,1,-,-,-,-,-,-
"6-tert-Butyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",CASRN:4138-19-6,DTXSID90513578,CC(C)(C)C1=CC=C(C#N)C(=O)N1,CC(C)(C)C1=NC(=O)C(=CC1)C#N,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-10(2,3)8-5-4-7(6-11)9(13)12-8/h4H,5H2,1-3H3",OMTYFUZLYAFMPA-UHFFFAOYSA-N,DTXCID501246802,Public_Low,-,-,-,33,1,-,-,-,-,-,-
(Pyridin-2-yl)(pyrrolidin-1-yl)methanone,CASRN:83728-66-9,DTXSID30514807,O=C(N1CCCC1)C1=CC=CC=N1,O=C(N1CCCC1)C1=CC=CC=N1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-10(12-7-3-4-8-12)9-5-1-2-6-11-9/h1-2,5-6H,3-4,7-8H2",VVSBDPSFOBQHNU-UHFFFAOYSA-N,DTXCID40465614,Public_Low,-,-,-,14,1,-,-,-,-,-,-
"(2R,3R)-1-Methyl-3-phenylaziridine-2-carboxamide",CASRN:88286-07-1,DTXSID00525304,CN1[C@H]([C@H]1C1=CC=CC=C1)C(N)=O,CN1C(C1C1=CC=CC=C1)C(N)=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-12-8(9(12)10(11)13)7-5-3-2-4-6-7/h2-6,8-9H,1H3,(H2,11,13)",GQCPWWWXTOIVBD-UHFFFAOYSA-N,DTXCID50977071,Public_Low,-,-,-,3,1,-,-,-,-,-,-
6-Methyl-2-(pent-4-yn-1-yl)pyrimidin-4(1H)-one,CASRN:88499-81-4,DTXSID70527653,CC1=CC(=O)N=C(CCCC#C)N1,CC1=NC(CCCC#C)=NC(=O)C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-3-4-5-6-9-11-8(2)7-10(13)12-9/h1H,4-7H2,2H3",KNAUFGNBPROGTI-UHFFFAOYSA-N,DTXCID901251081,Public_Low,-,-,-,6,1,-,-,-,-,-,-
"1-(1,2,3,4-Tetrahydroquinoxalin-5-yl)ethan-1-one",CASRN:89334-22-5,DTXSID70529551,CC(=O)C1=C2NCCNC2=CC=C1,CC(=O)C1=C2NCCNC2=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7(13)8-3-2-4-9-10(8)12-6-5-11-9/h2-4,11-12H,5-6H2,1H3",HODBSHAGNXQIOG-UHFFFAOYSA-N,DTXCID20480340,Public_Low,-,-,-,5,1,-,-,-,-,-,-
"2-Phenyl-3,4,5,6-tetrahydropyrimidin-4-ol",CASRN:100580-01-6,DTXSID00531985,OC1CCN=C(N1)C1=CC=CC=C1,OC1CCN=C(N1)C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-9-6-7-11-10(12-9)8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)",MVXXOHTVUPCWKP-UHFFFAOYSA-N,DTXCID00979343,Public_Low,-,-,-,6,1,-,-,-,-,-,-
"N-Methyl-2,3-dihydro-1H-indole-1-carboxamide",CASRN:61589-19-3,DTXSID30534085,CNC(=O)N1CCC2=CC=CC=C12,CNC(=O)N1CCC2=CC=CC=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-11-10(13)12-7-6-8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H,11,13)",XMNVVFCOWXNCOH-UHFFFAOYSA-N,DTXCID30484874,Public_Low,-,-,-,12,1,-,-,-,-,-,-
5-(Methoxymethyl)-7-methyl-1H-indazole,CASRN:93359-90-1,DTXSID80535522,COCC1=CC2=C(NN=C2)C(C)=C1,COCC1=CC2=C(NN=C2)C(C)=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-3-8(6-13-2)4-9-5-11-12-10(7)9/h3-5H,6H2,1-2H3,(H,11,12)",HAFVOSFMUDIATQ-UHFFFAOYSA-N,DTXCID10486311,Public_Low,-,-,-,6,1,-,-,-,-,-,-
"1-Methoxy-3,7-dimethylpyrrolo[1,2-a]pyrazine",CASRN:95407-89-9,DTXSID20540913,COC1=NC(C)=CN2C=C(C)C=C12,COC1=NC(C)=CN2C=C(C)C=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-4-9-10(13-3)11-8(2)6-12(9)5-7/h4-6H,1-3H3",FCCMQWQFZLTBLZ-UHFFFAOYSA-N,DTXCID30491700,Public_Low,-,-,-,10,1,-,-,-,-,-,-
"6-Amino-3,3-dimethyl-1,3-dihydro-2H-indol-2-one",CASRN:100510-65-4,DTXSID40544514,CC1(C)C(=O)NC2=C1C=CC(N)=C2,CC1(C)C(=O)NC2=C1C=CC(N)=C2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-10(2)7-4-3-6(11)5-8(7)12-9(10)13/h3-5H,11H2,1-2H3,(H,12,13)",IWARVYFPBLDOAK-UHFFFAOYSA-N,DTXCID40495299,Public_Low,-,-,-,59,1,-,-,-,-,-,-
"5-Methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one",CASRN:33035-62-0,DTXSID00544737,CN1CCC(=O)NC2=CC=CC=C12,CN1CCC(=O)NC2=CC=CC=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-12-7-6-10(13)11-8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H,11,13)",SJZQGVZACKZABI-UHFFFAOYSA-N,DTXCID90495522,Public_Low,-,-,-,17,1,-,-,-,-,-,-
1-Phenylpiperazin-2-one,CASRN:90917-86-5,DTXSID60551083,O=C1CNCCN1C1=CC=CC=C1,O=C1CNCCN1C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-10-8-11-6-7-12(10)9-4-2-1-3-5-9/h1-5,11H,6-8H2",YWUNGYFXNDOGNZ-UHFFFAOYSA-N,DTXCID20501867,Public_Low,-,-,-,44,2,-,-,-,-,-,-
"1-(1,2-Dihydroquinoxalin-2-yl)ethan-1-ol",CASRN:111289-53-3,DTXSID20552177,CC(O)C1NC2=CC=CC=C2N=C1,CC(O)C1NC2=CC=CC=C2N=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7(13)10-6-11-8-4-2-3-5-9(8)12-10/h2-7,10,12-13H,1H3",LBCNXPYRJHMXFX-UHFFFAOYSA-N,DTXCID50941818,Public_Low,-,-,-,6,1,-,-,-,-,-,-
(2S)-2-(Pyridin-3-yl)pyrrolidine-1-carbaldehyde,CASRN:38840-03-8,DTXSID80553004,O=CN1CCC[C@H]1C1=CN=CC=C1,O=CN1CCCC1C1=CN=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-8-12-6-2-4-10(12)9-3-1-5-11-7-9/h1,3,5,7-8,10H,2,4,6H2",GQLSEYOOXBRDFZ-UHFFFAOYSA-N,DTXCID30942060,Public_Low,-,-,-,9,3,-,-,-,-,-,-
"N-(2,3-Dihydro-1H-inden-1-yl)urea",CASRN:6520-67-8,DTXSID80553201,NC(=O)NC1CCC2=CC=CC=C12,NC(=O)NC1CCC2=CC=CC=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-10(13)12-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6H2,(H3,11,12,13)",WAQCADIPNPIBPZ-UHFFFAOYSA-N,DTXCID90942122,Public_Low,-,-,-,12,1,-,-,-,-,-,-
6-(Pyrimidin-5-yl)hex-5-yn-1-ol,CASRN:88940-57-2,DTXSID30553978,OCCCCC#CC1=CN=CN=C1,OCCCCC#CC1=CN=CN=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-6-4-2-1-3-5-10-7-11-9-12-8-10/h7-9,13H,1-2,4,6H2",SKDRAZZKVWNQCN-UHFFFAOYSA-N,DTXCID10504761,Public_Low,-,-,-,10,1,-,-,-,-,-,-
4-(3-Aminopropoxy)benzonitrile,CASRN:116753-55-0,DTXSID00554533,NCCCOC1=CC=C(C=C1)C#N,NCCCOC1=CC=C(C=C1)C#N,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-6-1-7-13-10-4-2-9(8-12)3-5-10/h2-5H,1,6-7,11H2",GGQULJYGPHOTSA-UHFFFAOYSA-N,DTXCID30505316,Public_Low,-,-,-,31,1,-,-,-,-,-,-
3-Benzylimidazolidin-4-one,CASRN:114981-12-3,DTXSID30556984,O=C1CNCN1CC1=CC=CC=C1,O=C1CNCN1CC1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-10-6-11-8-12(10)7-9-4-2-1-3-5-9/h1-5,11H,6-8H2",MVHBCOMVEOIOSQ-UHFFFAOYSA-N,DTXCID00507766,Public_Low,-,-,-,13,1,-,-,-,-,-,-
1-(5-Methoxy-1H-indol-3-yl)methanamine,CASRN:60523-82-2,DTXSID20563182,COC1=CC2=C(NC=C2CN)C=C1,COC1=CC2=C(NC=C2CN)C=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-13-8-2-3-10-9(4-8)7(5-11)6-12-10/h2-4,6,12H,5,11H2,1H3",CAHOMULUOHSWPI-UHFFFAOYSA-N,DTXCID50513958,Public_Low,-,-,-,39,3,-,-,-,-,-,-
1-[(Pyridin-3-yl)methyl]pyrrolidin-2-one,CASRN:57786-16-0,DTXSID50569319,O=C1CCCN1CC1=CN=CC=C1,O=C1CCCN1CC1=CN=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-10-4-2-6-12(10)8-9-3-1-5-11-7-9/h1,3,5,7H,2,4,6,8H2",YPKLGBBSEAWDKK-UHFFFAOYSA-N,DTXCID00520091,Public_Low,-,-,-,10,1,-,-,-,-,-,-
2-Methyl-1-phenylpyrazolidin-3-one,CASRN:54227-67-7,DTXSID40570474,CN1N(CCC1=O)C1=CC=CC=C1,CN1N(CCC1=O)C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-11-10(13)7-8-12(11)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3",VBLUKGUQPKHPKD-UHFFFAOYSA-N,DTXCID60521246,Public_Low,-,-,-,9,1,-,-,-,-,-,-
"(4R,5R)-4-Methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine",CASRN:10189-63-6,DTXSID40574154,C[C@H]1N=C(N)O[C@@H]1C1=CC=CC=C1,CC1N=C(N)OC1C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H2,11,12)",LJQBMYDFWFGESC-UHFFFAOYSA-N,DTXCID70206653,Public_Low,-,-,-,13,4,-,-,-,-,-,-
"6-Methyl-2-oxo-4-propyl-1,2-dihydropyridine-3-carbonitrile",CASRN:16232-40-9,DTXSID00576174,CCCC1=C(C#N)C(=O)NC(C)=C1,CCCC1=C(C#N)C(=O)N=C(C)C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-3-4-8-5-7(2)12-10(13)9(8)6-11/h3-5H2,1-2H3",KJPLNAHWKFHVOW-UHFFFAOYSA-N,DTXCID901264462,Public_Low,-,-,-,21,1,-,-,-,-,-,-
"2,3,8,8a-Tetrahydropyrrolo[2,3-b]indol-3a(1H)-ol",CASRN:58635-39-5,DTXSID30578646,OC12CCNC1NC1=CC=CC=C21,OC12CCNC1NC1=CC=CC=C21,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-10-5-6-11-9(10)12-8-4-2-1-3-7(8)10/h1-4,9,11-13H,5-6H2",MBJYQBCGLVDNTL-UHFFFAOYSA-N,DTXCID40948437,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"4-(4-Methylimidazolidin-2-ylidene)cyclohexa-2,5-dien-1-one",CASRN:868260-15-5,DTXSID40584793,CC1CNC(N1)=C1C=CC(=O)C=C1,CC1CN=C(N1)C1C=CC(=O)C=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-6-11-10(12-7)8-2-4-9(13)5-3-8/h2-5,7-8H,6H2,1H3,(H,11,12)",VLWJEUNEZMRFPB-UHFFFAOYSA-N,DTXCID801020253,Public_Low,-,-,-,15,1,-,-,-,-,-,-
N-(4-Aminophenyl)cyclopropanecarboxamide,CASRN:74617-73-5,DTXSID90585432,NC1=CC=C(NC(=O)C2CC2)C=C1,NC1=CC=C(NC(=O)C2CC2)C=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-8-3-5-9(6-4-8)12-10(13)7-1-2-7/h3-7H,1-2,11H2,(H,12,13)",QKOLSDDMVFYWJC-UHFFFAOYSA-N,DTXCID00536197,Public_Low,-,-,-,37,1,-,-,-,-,-,-
N-(3-Aminophenyl)cyclopropanecarboxamide,CASRN:879127-21-6,DTXSID50585534,NC1=CC(NC(=O)C2CC2)=CC=C1,NC1=CC(NC(=O)C2CC2)=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-8-2-1-3-9(6-8)12-10(13)7-4-5-7/h1-3,6-7H,4-5,11H2,(H,12,13)",CAPDPGRIQUJAGR-UHFFFAOYSA-N,DTXCID60536299,Public_Low,-,-,-,42,1,-,-,-,-,-,-
1-(1H-Benzimidazol-2-yl)propan-1-ol,CASRN:4857-00-5,DTXSID70586083,CCC(O)C1=NC2=CC=CC=C2N1,CCC(O)C1=NC2=CC=CC=C2N1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-2-9(13)10-11-7-5-3-4-6-8(7)12-10/h3-6,9,13H,2H2,1H3,(H,11,12)",VWVCKMRVMBKZSZ-UHFFFAOYSA-N,DTXCID10950365,Public_Low,-,-,-,18,1,-,-,-,-,-,-
2-(1-Methyl-1H-benzimidazol-2-yl)ethan-1-ol,CASRN:34734-29-7,DTXSID70587994,CN1C(CCO)=NC2=CC=CC=C12,CN1C(CCO)=NC2=CC=CC=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-12-9-5-3-2-4-8(9)11-10(12)6-7-13/h2-5,13H,6-7H2,1H3",KGMYIIACRRXXIA-UHFFFAOYSA-N,DTXCID60538758,Public_Low,-,-,-,26,1,-,-,-,-,-,-
1-(4-Methyl-1H-benzimidazol-2-yl)ethan-1-ol,CASRN:953857-84-6,DTXSID60588657,CC(O)C1=NC2=C(C)C=CC=C2N1,CC(O)C1=NC2=C(C)C=CC=C2N1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-6-4-3-5-8-9(6)12-10(11-8)7(2)13/h3-5,7,13H,1-2H3,(H,11,12)",GTSGFORZWHBFHR-UHFFFAOYSA-N,DTXCID00950758,Public_Low,-,-,-,27,1,-,-,-,-,-,-
3-(3-Aminopropoxy)benzonitrile,CASRN:785760-03-4,DTXSID30590989,NCCCOC1=CC=CC(=C1)C#N,NCCCOC1=CC=CC(=C1)C#N,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-5-2-6-13-10-4-1-3-9(7-10)8-12/h1,3-4,7H,2,5-6,11H2",ICIHMVWGUZWIDU-UHFFFAOYSA-N,DTXCID70541753,Public_Low,-,-,-,34,1,-,-,-,-,-,-
1-Phenylpiperazin-2-one--hydrogen chloride (1/1),CASRN:94783-18-3,DTXSID90591311,Cl.O=C1CNCCN1C1=CC=CC=C1,O=C1CNCCN1C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-10-8-11-6-7-12(10)9-4-2-1-3-5-9/h1-5,11H,6-8H2",YWUNGYFXNDOGNZ-UHFFFAOYSA-N,DTXCID20501867,Public_Low,-,-,-,29,1,-,-,-,-,-,-
"N-Methyl-2,3-dihydro-1H-indole-7-carboxamide",CASRN:631913-17-2,DTXSID70591738,CNC(=O)C1=CC=CC2=C1NCC2,CNC(=O)C1=CC=CC2=C1NCC2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-11-10(13)8-4-2-3-7-5-6-12-9(7)8/h2-4,12H,5-6H2,1H3,(H,11,13)",VGZFKNRURKBMQJ-UHFFFAOYSA-N,DTXCID10542502,Public_Low,-,-,-,13,1,-,-,-,-,-,-
2-(Pyrrolidin-1-yl)pyridine-4-carbaldehyde,CASRN:898289-23-1,DTXSID80594598,O=CC1=CC(=NC=C1)N1CCCC1,O=CC1=CC(=NC=C1)N1CCCC1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-8-9-3-4-11-10(7-9)12-5-1-2-6-12/h3-4,7-8H,1-2,5-6H2",QPKFMHRNVDJMLZ-UHFFFAOYSA-N,DTXCID60545361,Public_Low,-,-,-,29,1,-,-,-,-,-,-
[1-(1-Benzofuran-2-yl)ethyl]hydrazine,CASRN:1016498-93-3,DTXSID00602644,CC(NN)C1=CC2=CC=CC=C2O1,CC(NN)C1=CC2=CC=CC=C2O1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7(12-11)10-6-8-4-2-3-5-9(8)13-10/h2-7,12H,11H2,1H3",MFOGVQSEDJNVMC-UHFFFAOYSA-N,DTXCID80864925,Public_Low,-,-,-,9,1,-,-,-,-,-,-
(4-Amino-5-methoxy-2-methylphenyl)acetonitrile,CASRN:620604-73-1,DTXSID60609553,COC1=C(N)C=C(C)C(CC#N)=C1,COC1=C(N)C=C(C)C(CC#N)=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-5-9(12)10(13-2)6-8(7)3-4-11/h5-6H,3,12H2,1-2H3",DPWNNICGIUGEMN-UHFFFAOYSA-N,DTXCID40560310,Public_Low,-,-,-,12,1,-,-,-,-,-,-
(4-Amino-3-methoxy-2-methylphenyl)acetonitrile,CASRN:620604-58-2,DTXSID80609555,COC1=C(N)C=CC(CC#N)=C1C,COC1=C(N)C=CC(CC#N)=C1C,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-8(5-6-11)3-4-9(12)10(7)13-2/h3-4H,5,12H2,1-2H3",KQFNYHSZZBJJFE-UHFFFAOYSA-N,DTXCID60560312,Public_Low,-,-,-,14,1,-,-,-,-,-,-
"1,4-Dimethyl-3,4-dihydroquinoxalin-2(1H)-one",CASRN:66098-06-4,DTXSID40610107,CN1CC(=O)N(C)C2=CC=CC=C12,CN1CC(=O)N(C)C2=CC=CC=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-11-7-10(13)12(2)9-6-4-3-5-8(9)11/h3-6H,7H2,1-2H3",WWERZPFVLZDWFL-UHFFFAOYSA-N,DTXCID10560862,Public_Low,-,-,-,13,1,-,-,-,-,-,-
"(6-Methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1(2H)-ylidene)acetaldehyde",CASRN:345892-02-6,DTXSID10615967,CC1=CC=C2N1CCNC2=CC=O,CC1=CC=C2N1CCN=C2CC=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8-2-3-10-9(4-7-13)11-5-6-12(8)10/h2-3,7H,4-6H2,1H3",GQJTZMNVMCEMPZ-UHFFFAOYSA-N,DTXCID601086613,Public_Low,-,-,-,7,2,-,-,-,-,-,-
"4-Methyl-3,4-dihydroquinoxaline-1(2H)-carbaldehyde",CASRN:72119-44-9,DTXSID70618893,CN1CCN(C=O)C2=CC=CC=C12,CN1CCN(C=O)C2=CC=CC=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-11-6-7-12(8-13)10-5-3-2-4-9(10)11/h2-5,8H,6-7H2,1H3",HWLYSHFFLMBRLU-UHFFFAOYSA-N,DTXCID00569647,Public_Low,-,-,-,13,1,-,-,-,-,-,-
"6-Amino-1-methyl-3,4-dihydroquinolin-2(1H)-one",CASRN:233775-30-9,DTXSID20619279,CN1C(=O)CCC2=C1C=CC(N)=C2,CN1C(=O)CCC2=C1C=CC(N)=C2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-12-9-4-3-8(11)6-7(9)2-5-10(12)13/h3-4,6H,2,5,11H2,1H3",ULWJTPAOSJSHFG-UHFFFAOYSA-N,DTXCID20570033,Public_Low,-,-,-,27,1,-,-,-,-,-,-
5-{[(Propan-2-yl)oxy]methyl}pyridine-2-carbonitrile,CASRN:832714-56-4,DTXSID90619640,CC(C)OCC1=CN=C(C=C1)C#N,CC(C)OCC1=CN=C(C=C1)C#N,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8(2)13-7-9-3-4-10(5-11)12-6-9/h3-4,6,8H,7H2,1-2H3",HQOTZMCPOPZRKP-UHFFFAOYSA-N,DTXCID00570394,Public_Low,-,-,-,9,1,-,-,-,-,-,-
"1,2,3,4-Tetrahydroquinoline-2-carboxamide",CASRN:91842-88-5,DTXSID90623262,NC(=O)C1CCC2=CC=CC=C2N1,NC(=O)C1CCC2=CC=CC=C2N1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-10(13)9-6-5-7-3-1-2-4-8(7)12-9/h1-4,9,12H,5-6H2,(H2,11,13)",OFBPSKIFXNJCAG-UHFFFAOYSA-N,DTXCID40870022,Public_Low,-,-,-,28,1,-,-,-,-,-,-
2-[(1H-Indol-4-yl)oxy]ethan-1-amine--hydrogen chloride (1/1),CASRN:91374-26-4,DTXSID40624380,Cl.NCCOC1=CC=CC2=C1C=CN2,NCCOC1=CC=CC2=C1C=CN2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-5-7-13-10-3-1-2-9-8(10)4-6-12-9/h1-4,6,12H,5,7,11H2",FZXIBIRCACCXGD-UHFFFAOYSA-N,DTXCID80870268,Public_Low,-,-,-,22,1,-,-,-,-,-,-
"1-Amino-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one",CASRN:253185-43-2,DTXSID70624636,NC1C2=CC=CC=C2CCNC1=O,NC1C2=CC=CC=C2CCNC1=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-9-8-4-2-1-3-7(8)5-6-12-10(9)13/h1-4,9H,5-6,11H2,(H,12,13)",QWJOGPWJTLUXTM-UHFFFAOYSA-N,DTXCID20870368,Public_Low,-,-,-,34,1,-,-,-,-,-,-
"5-Amino-1-ethyl-1,3-dihydro-2H-indol-2-one",CASRN:875003-50-2,DTXSID90627604,CCN1C(=O)CC2=C1C=CC(N)=C2,CCN1C(=O)CC2=C1C=CC(N)=C2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-2-12-9-4-3-8(11)5-7(9)6-10(12)13/h3-5H,2,6,11H2,1H3",PYVVLSILSIVNQC-UHFFFAOYSA-N,DTXCID20578357,Public_Low,-,-,-,26,1,-,-,-,-,-,-
2-(3-Aminopropoxy)benzonitrile,CASRN:444574-75-8,DTXSID50629346,NCCCOC1=CC=CC=C1C#N,NCCCOC1=CC=CC=C1C#N,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-6-3-7-13-10-5-2-1-4-9(10)8-12/h1-2,4-5H,3,6-7,11H2",QQVAZWABKCUECQ-UHFFFAOYSA-N,DTXCID00580099,Public_Low,-,-,-,25,1,-,-,-,-,-,-
[Cyclohexyl(hydroxy)methylidene]propanedinitrile,CASRN:553672-03-0,DTXSID70629863,OC(C1CCCCC1)=C(C#N)C#N,O=C(C(C#N)C#N)C1CCCCC1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-6-9(7-12)10(13)8-4-2-1-3-5-8/h8-9H,1-5H2",ZMKWEYDBQNKXJO-UHFFFAOYSA-N,DTXCID401314923,Public_Low,-,-,-,11,1,-,-,-,-,-,-
2-[(Propan-2-ylidene)amino]benzamide,CASRN:87773-27-1,DTXSID70630313,CC(C)=NC1=CC=CC=C1C(N)=O,CC(C)=NC1=CC=CC=C1C(N)=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7(2)12-9-6-4-3-5-8(9)10(11)13/h3-6H,1-2H3,(H2,11,13)",LPRNAQKQTZNXQD-UHFFFAOYSA-N,DTXCID40581065,Public_Low,-,-,-,4,1,-,-,-,-,-,-
2-Methyl-1-[(E)-phenyldiazenyl]propan-1-one,CASRN:63400-32-8,DTXSID80635233,CC(C)C(=O)\\N=N\\C1=CC=CC=C1,CC(C)C(=O)N=NC1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8(2)10(13)12-11-9-6-4-3-5-7-9/h3-8H,1-2H3",VSBSTHHKFADNKN-UHFFFAOYSA-N,DTXCID301036433,Public_Low,-,-,-,6,1,-,-,-,-,-,-
4-(3-Aminophenoxy)butanenitrile--hydrogen chloride (1/1),CASRN:19157-88-1,DTXSID00638862,Cl.NC1=CC(OCCCC#N)=CC=C1,NC1=CC(OCCCC#N)=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-6-1-2-7-13-10-5-3-4-9(12)8-10/h3-5,8H,1-2,7,12H2",YCURMYBAXCTAFM-UHFFFAOYSA-N,DTXCID50875381,Public_Low,-,-,-,3,2,-,-,-,-,-,-
5-(Pyrrolidin-1-yl)pyridine-2-carbaldehyde,CASRN:892501-98-3,DTXSID80640246,O=CC1=NC=C(C=C1)N1CCCC1,O=CC1=NC=C(C=C1)N1CCCC1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-8-9-3-4-10(7-11-9)12-5-1-2-6-12/h3-4,7-8H,1-2,5-6H2",VCDZKSRORJIVAT-UHFFFAOYSA-N,DTXCID60590997,Public_Low,-,-,-,29,1,-,-,-,-,-,-
"2-(Propan-2-yl)-1,3-benzoxazol-5-amine",CASRN:1016776-39-8,DTXSID50640798,CC(C)C1=NC2=C(O1)C=CC(N)=C2,CC(C)C1=NC2=C(O1)C=CC(N)=C2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-6(2)10-12-8-5-7(11)3-4-9(8)13-10/h3-6H,11H2,1-2H3",WFRDNWDYUJHLHA-UHFFFAOYSA-N,DTXCID00591549,Public_Low,-,-,-,19,1,-,-,-,-,-,-
"4-Propoxy-1H-pyrrolo[2,3-b]pyridine",CASRN:1011711-58-2,DTXSID20647350,CCCOC1=C2C=CNC2=NC=C1,CCCOC1=C2C=CNC2=NC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-2-7-13-9-4-6-12-10-8(9)3-5-11-10/h3-6H,2,7H2,1H3,(H,11,12)",HSKZWIBUTZHXOR-UHFFFAOYSA-N,DTXCID70598101,Public_Low,-,-,-,26,1,-,-,-,-,-,-
"4-[(Propan-2-yl)oxy]-1H-pyrrolo[2,3-b]pyridine",CASRN:937797-32-5,DTXSID80647356,CC(C)OC1=C2C=CNC2=NC=C1,CC(C)OC1=C2C=CNC2=NC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7(2)13-9-4-6-12-10-8(9)3-5-11-10/h3-7H,1-2H3,(H,11,12)",IVZVJMGDWGICPC-UHFFFAOYSA-N,DTXCID30598107,Public_Low,-,-,-,28,1,-,-,-,-,-,-
PUBCHEM_24802214,CASRN:39929-25-4,DTXSID70647380,OS(O)(=O)=O.CN1CC(=O)N=C1N.NCCC1=CNC2=C1C=CC(O)=C2,NCCC1=CNC2=C1C=CC(O)=C2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-5-8(13)1-2-9(7)10/h1-2,5-6,12-13H,3-4,11H2",WZTKTNRVJAMKAS-UHFFFAOYSA-N,DTXCID80118596,Public_Low,-,-,-,7,1,-,-,-,-,-,-
"2-tert-Butyl[1,3]oxazolo[4,5-c]pyridine",CASRN:873914-35-3,DTXSID80647614,CC(C)(C)C1=NC2=C(O1)C=CN=C2,CC(C)(C)C1=NC2=C(O1)C=CN=C2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-10(2,3)9-12-7-6-11-5-4-8(7)13-9/h4-6H,1-3H3",UCSGJYWVCRIWKF-UHFFFAOYSA-N,DTXCID90598365,Public_Low,-,-,-,23,1,-,-,-,-,-,-
5-Amino-3-ethyl-2-methoxybenzonitrile,CASRN:1003708-34-6,DTXSID40648647,CCC1=C(OC)C(=CC(N)=C1)C#N,CCC1=C(OC)C(=CC(N)=C1)C#N,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-3-7-4-9(12)5-8(6-11)10(7)13-2/h4-5H,3,12H2,1-2H3",QDGMJLMGDBMFBQ-UHFFFAOYSA-N,DTXCID90599397,Public_Low,-,-,-,20,1,-,-,-,-,-,-
2-(4-Methyl-1H-benzimidazol-2-yl)ethan-1-ol,CASRN:915921-55-0,DTXSID80649178,CC1=C2N=C(CCO)NC2=CC=C1,CC1=C2N=C(CCO)NC2=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-3-2-4-8-10(7)12-9(11-8)5-6-13/h2-4,13H,5-6H2,1H3,(H,11,12)",LPWDVWJTYGUIRO-UHFFFAOYSA-N,DTXCID40599928,Public_Low,-,-,-,29,1,-,-,-,-,-,-
"(4,5-Dimethyl-1H-benzimidazol-2-yl)methanol",CASRN:915921-59-4,DTXSID50649180,CC1=C(C)C2=C(NC(CO)=N2)C=C1,CC1=C(C)C2=C(NC(CO)=N2)C=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-6-3-4-8-10(7(6)2)12-9(5-13)11-8/h3-4,13H,5H2,1-2H3,(H,11,12)",DXIFJQQSMWQYTC-UHFFFAOYSA-N,DTXCID10599930,Public_Low,-,-,-,29,1,-,-,-,-,-,-
"2-(5-Methyl-1,3-benzoxazol-2-yl)ethan-1-amine",CASRN:871688-90-3,DTXSID90649184,CC1=CC2=C(OC(CCN)=N2)C=C1,CC1=CC2=C(OC(CCN)=N2)C=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-2-3-9-8(6-7)12-10(13-9)4-5-11/h2-3,6H,4-5,11H2,1H3",QUHSPVCYQJXRGG-UHFFFAOYSA-N,DTXCID50599934,Public_Low,-,-,-,31,1,-,-,-,-,-,-
"3-(1,4,5,6-Tetrahydropyrimidin-2-yl)phenol",CASRN:848850-63-5,DTXSID00650322,OC1=CC=CC(=C1)C1=NCCCN1,OC1=CC=CC(=C1)C1=NCCCN1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-9-4-1-3-8(7-9)10-11-5-2-6-12-10/h1,3-4,7,13H,2,5-6H2,(H,11,12)",XVTZMKHBKGYOKU-UHFFFAOYSA-N,DTXCID60601072,Public_Low,-,-,-,13,1,-,-,-,-,-,-
"1-Ethyl-3,4-dihydroquinoxalin-2(1H)-one",CASRN:66366-88-9,DTXSID90651565,CCN1C(=O)CNC2=CC=CC=C12,CCN1C(=O)CNC2=CC=CC=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-2-12-9-6-4-3-5-8(9)11-7-10(12)13/h3-6,11H,2,7H2,1H3",BCXMJWDBNSTJPY-UHFFFAOYSA-N,DTXCID90602315,Public_Low,-,-,-,14,1,-,-,-,-,-,-
1-(6-Methoxy-1H-indol-3-yl)methanamine,CASRN:887582-58-3,DTXSID60651653,COC1=CC2=C(C=C1)C(CN)=CN2,COC1=CC2=C(C=C1)C(CN)=CN2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-13-8-2-3-9-7(5-11)6-12-10(9)4-8/h2-4,6,12H,5,11H2,1H3",MMRWUJQPQPEBBB-UHFFFAOYSA-N,DTXCID60602403,Public_Low,-,-,-,23,1,-,-,-,-,-,-
1-(7-Methoxy-1H-indol-3-yl)methanamine,CASRN:887582-65-2,DTXSID70654695,COC1=CC=CC2=C1NC=C2CN,COC1=CC=CC2=C1NC=C2CN,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-13-9-4-2-3-8-7(5-11)6-12-10(8)9/h2-4,6,12H,5,11H2,1H3",IPLYIHJHGKZEIQ-UHFFFAOYSA-N,DTXCID70605445,Public_Low,-,-,-,15,1,-,-,-,-,-,-
1-Methyl-4-phenylimidazolidin-2-one,CASRN:93782-05-9,DTXSID50658510,CN1CC(NC1=O)C1=CC=CC=C1,CN1CC(NC1=O)C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-12-7-9(11-10(12)13)8-5-3-2-4-6-8/h2-6,9H,7H2,1H3,(H,11,13)",IVJNHCIOLJRJOC-UHFFFAOYSA-N,DTXCID50884074,Public_Low,-,-,-,10,2,-,-,-,-,-,-
"2-Propyl-1,2-dihydro-3H-indazol-3-one",CASRN:89438-54-0,DTXSID80658568,CCCN1NC2=CC=CC=C2C1=O,CCCN1NC2=CC=CC=C2C1=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-2-7-12-10(13)8-5-3-4-6-9(8)11-12/h3-6,11H,2,7H2,1H3",VEYDZCOPXFSOMF-UHFFFAOYSA-N,DTXCID20609317,Public_Low,-,-,-,10,2,-,-,-,-,-,-
"7-(Aminomethyl)-6,7-dihydroquinolin-8(5H)-one",CASRN:652972-06-0,DTXSID40667676,NCC1CCC2=C(N=CC=C2)C1=O,NCC1CCC2=C(N=CC=C2)C1=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-6-8-4-3-7-2-1-5-12-9(7)10(8)13/h1-2,5,8H,3-4,6,11H2",VKPQFIUNMXFVRZ-UHFFFAOYSA-N,DTXCID90886976,Public_Low,-,-,-,6,1,-,-,-,-,-,-
2-Amino-1-(1H-indol-5-yl)ethan-1-ol,CASRN:508233-98-5,DTXSID60667678,NCC(O)C1=CC2=C(NC=C2)C=C1,NCC(O)C1=CC=C2NC=CC2=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-6-10(13)8-1-2-9-7(5-8)3-4-12-9/h1-5,10,12-13H,6,11H2",DBSJEVJNWCMQOR-UHFFFAOYSA-N,DTXCID50886977,Public_Low,-,-,-,21,1,-,-,-,-,-,-
"2,3,6-Trimethyl-1,4-dihydro-5H-cyclopenta[b]pyrazin-5-one",CASRN:72241-45-3,DTXSID50668033,CC1=CC2=C(NC(C)=C(C)N2)C1=O,CC1=CC2NC(C)=C(C)N=C2C1=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-5-4-8-9(10(5)13)12-7(3)6(2)11-8/h4,8,11H,1-3H3",YPUDQJYCGXHFKG-UHFFFAOYSA-N,DTXCID301287610,Public_Low,-,-,-,7,1,-,-,-,-,-,-
"1,3-Dimethyl-3,4-dihydroquinoxalin-2(1H)-one",CASRN:67074-64-0,DTXSID20668040,CC1NC2=CC=CC=C2N(C)C1=O,CC1NC2=CC=CC=C2N(C)C1=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-10(13)12(2)9-6-4-3-5-8(9)11-7/h3-7,11H,1-2H3",GOCGHNZUYWQCRC-UHFFFAOYSA-N,DTXCID70887128,Public_Low,-,-,-,10,1,-,-,-,-,-,-
(3-Aminoazetidin-1-yl)(phenyl)methanone,CASRN:887588-62-7,DTXSID00669414,NC1CN(C1)C(=O)C1=CC=CC=C1,NC1CN(C1)C(=O)C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-9-6-12(7-9)10(13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2",UMVRSUKQZOUCCV-UHFFFAOYSA-N,DTXCID20620163,Public_Low,-,-,-,21,1,-,-,-,-,-,-
"4-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one",CASRN:887578-14-5,DTXSID20669971,NC1CC2=CC=CC=C2NC(=O)C1,NC1CC2=CC=CC=C2NC(=O)C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-8-5-7-3-1-2-4-9(7)12-10(13)6-8/h1-4,8H,5-6,11H2,(H,12,13)",SLOYJNVWCPTJLN-UHFFFAOYSA-N,DTXCID00887631,Public_Low,-,-,-,21,1,-,-,-,-,-,-
PUBCHEM_46781922,CASRN:55206-11-6,DTXSID10675965,OS(O)(=O)=O.CN1CC(=O)N=C1N.NCCC1=CNC2=C1C(O)=CC=C2,NCCC1=CNC2=C1C(O)=CC=C2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-5-4-7-6-12-8-2-1-3-9(13)10(7)8/h1-3,6,12-13H,4-5,11H2",FKIRTWDHOWAQGX-UHFFFAOYSA-N,DTXCID20128098,Public_Low,-,-,-,5,1,-,-,-,-,-,-
"3-Amino-1-ethyl-1,3-dihydro-2H-indol-2-one--hydrogen chloride (1/1)",CASRN:1105068-64-1,DTXSID50677600,Cl.CCN1C(=O)C(N)C2=CC=CC=C12,CCN1C(=O)C(N)C2=CC=CC=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-2-12-8-6-4-3-5-7(8)9(11)10(12)13/h3-6,9H,2,11H2,1H3",PNRCXKLDZREYFW-UHFFFAOYSA-N,DTXCID70889526,Public_Low,-,-,-,14,1,-,-,-,-,-,-
"5-Amino-2-ethyl-2,3-dihydro-1H-isoindol-1-one",CASRN:1234615-94-1,DTXSID50680573,CCN1CC2=C(C=CC(N)=C2)C1=O,CCN1CC2=C(C=CC(N)=C2)C1=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-2-12-6-7-5-8(11)3-4-9(7)10(12)13/h3-5H,2,6,11H2,1H3",JABHYVLKNVQMNM-UHFFFAOYSA-N,DTXCID90631322,Public_Low,-,-,-,19,1,-,-,-,-,-,-
"6-Amino-2-ethyl-2,3-dihydro-1H-isoindol-1-one",CASRN:1234616-17-1,DTXSID10680574,CCN1CC2=C(C=C(N)C=C2)C1=O,CCN1CC2=C(C=C(N)C=C2)C1=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-2-12-6-7-3-4-8(11)5-9(7)10(12)13/h3-5H,2,6,11H2,1H3",PSDSAEYHBZOZBR-UHFFFAOYSA-N,DTXCID50631323,Public_Low,-,-,-,20,1,-,-,-,-,-,-
"5-(1-Methyl-4,5-dihydro-1H-pyrrol-2-yl)pyridin-2(1H)-one",CASRN:68104-57-4,DTXSID70680656,CN1CCC=C1C1=CNC(=O)C=C1,CN1CCC=C1C1C=CC(=O)N=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-12-6-2-3-9(12)8-4-5-10(13)11-7-8/h3-5,7-8H,2,6H2,1H3",JMGCLFQHUVJXRE-UHFFFAOYSA-N,DTXCID101104232,Public_Low,-,-,-,8,4,-,-,-,-,-,-
"3-(Aminomethyl)-5-methyl-1,3-dihydro-2H-indol-2-one",CASRN:1071931-87-7,DTXSID10696014,CC1=CC2=C(NC(=O)C2CN)C=C1,CC1=CC=C2NC(=O)C(CN)C2=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-6-2-3-9-7(4-6)8(5-11)10(13)12-9/h2-4,8H,5,11H2,1H3,(H,12,13)",BAIXLGOUQKRRMN-UHFFFAOYSA-N,DTXCID30982547,Public_Low,-,-,-,7,1,-,-,-,-,-,-
"4-(Aminomethyl)-1,4-dihydroisoquinolin-3(2H)-one",CASRN:885270-88-2,DTXSID40699194,NCC1C(=O)NCC2=CC=CC=C12,NCC1C(=O)NCC2=CC=CC=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-5-9-8-4-2-1-3-7(8)6-12-10(9)13/h1-4,9H,5-6,11H2,(H,12,13)",DCHKRQJIWCCBNV-UHFFFAOYSA-N,DTXCID60983789,Public_Low,-,-,-,9,1,-,-,-,-,-,-
(2Z)-2-Methyl-3-phenylprop-2-enehydrazide,CASRN:3538-70-3,DTXSID70715230,C\\C(=C\\C1=CC=CC=C1)C(=O)NN,CC(=CC1=CC=CC=C1)C(=O)NN,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8(10(13)12-11)7-9-5-3-2-4-6-9/h2-7H,11H2,1H3,(H,12,13)",DYQOKBKATZZGOU-UHFFFAOYSA-N,DTXCID401039204,Public_Low,-,-,-,3,2,-,-,-,-,-,-
"5-(Propan-2-yl)-1,3-dihydro-2H-benzimidazol-2-one",CASRN:103151-03-7,DTXSID00717020,CC(C)C1=CC2=C(NC(=O)N2)C=C1,CC(C)C1=CC2=C(NC(=O)N2)C=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-6(2)7-3-4-8-9(5-7)12-10(13)11-8/h3-6H,1-2H3,(H2,11,12,13)",UHXGGAWQQVOJJL-UHFFFAOYSA-N,DTXCID30667766,Public_Low,-,-,-,20,1,-,-,-,-,-,-
4-(3-Aminophenyl)pyrrolidin-2-one--hydrogen chloride (1/1),CASRN:1187830-88-1,DTXSID40718819,Cl.NC1=CC=CC(=C1)C1CNC(=O)C1,NC1=CC(=CC=C1)C1CNC(=O)C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-9-3-1-2-7(4-9)8-5-10(13)12-6-8/h1-4,8H,5-6,11H2,(H,12,13)",ZZPPSRMRIPWGTL-UHFFFAOYSA-N,DTXCID30993491,Public_Low,-,-,-,32,1,-,-,-,-,-,-
1-(3-Methylphenyl)aziridine-2-carboxamide,CASRN:933453-57-7,DTXSID80723366,CC1=CC(=CC=C1)N1CC1C(N)=O,CC1=CC(=CC=C1)N1CC1C(N)=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-3-2-4-8(5-7)12-6-9(12)10(11)13/h2-5,9H,6H2,1H3,(H2,11,13)",IXKHPOFZFFAIJS-UHFFFAOYSA-N,DTXCID30995132,Public_Low,-,-,-,5,1,-,-,-,-,-,-
3-Amino-1-phenylpyrrolidin-2-one--hydrogen chloride (1/1),CASRN:1981-32-4,DTXSID30724949,Cl.NC1CCN(C1=O)C1=CC=CC=C1,NC1CCN(C1=O)C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-9-6-7-12(10(9)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2",CLKQZOVQZNETMH-UHFFFAOYSA-N,DTXCID40995820,Public_Low,-,-,-,5,1,-,-,-,-,-,-
2-(4-Amino-1H-indol-1-yl)ethan-1-ol,CASRN:1253225-86-3,DTXSID60725606,NC1=C2C=CN(CCO)C2=CC=C1,NC1=C2C=CN(CCO)C2=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-9-2-1-3-10-8(9)4-5-12(10)6-7-13/h1-5,13H,6-7,11H2",HSHSWQCMPASSBN-UHFFFAOYSA-N,DTXCID10676351,Public_Low,-,-,-,6,1,-,-,-,-,-,-
N-(5-Ethenyl-3-methylpyridin-2-yl)acetamide,CASRN:1147939-27-2,DTXSID80726211,CC(=O)NC1=NC=C(C=C)C=C1C,CC(=O)NC1=NC=C(C=C)C=C1C,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-4-9-5-7(2)10(11-6-9)12-8(3)13/h4-6H,1H2,2-3H3,(H,11,12,13)",MQRBQAUHPFXHHM-UHFFFAOYSA-N,DTXCID50676956,Public_Low,-,-,-,6,1,-,-,-,-,-,-
4-(Dimethylamino)-2-methoxybenzonitrile,CASRN:69619-15-4,DTXSID30728301,COC1=C(C=CC(=C1)N(C)C)C#N,COC1=C(C=CC(=C1)N(C)C)C#N,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-12(2)9-5-4-8(7-11)10(6-9)13-3/h4-6H,1-3H3",COWQHRRJESDSBA-UHFFFAOYSA-N,DTXCID70679045,Public_Low,-,-,-,11,1,-,-,-,-,-,-
"7-Amino-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one",CASRN:919099-03-9,DTXSID10736707,NC1=CC2=C(CC(=O)NCC2)C=C1,NC1=CC2=C(CC(=O)NCC2)C=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-9-2-1-7-6-10(13)12-4-3-8(7)5-9/h1-2,5H,3-4,6,11H2,(H,12,13)",KTYYOWYSVREGLZ-UHFFFAOYSA-N,DTXCID00687451,Public_Low,-,-,-,6,1,-,-,-,-,-,-
"8-Amino-1,3,4,5-tetrahydro-2H-3-benzazepin-2-one",CASRN:919099-02-8,DTXSID70736708,NC1=CC2=C(CCNC(=O)C2)C=C1,NC1=CC2=C(CCNC(=O)C2)C=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-9-2-1-7-3-4-12-10(13)6-8(7)5-9/h1-2,5H,3-4,6,11H2,(H,12,13)",HFLYFIQCVRONFM-UHFFFAOYSA-N,DTXCID60687452,Public_Low,-,-,-,8,1,-,-,-,-,-,-
PUBCHEM_71308527,CASRN:141983-95-1,DTXSID80745548,OS(O)(=O)=O.CN1CC(=O)N=C1N.N[14CH2]CC1=CNC2=C1C=C(O)C=C2,NCCC1=CNC2=CC=C(O)C=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2",QZAYGJVTTNCVMB-UHFFFAOYSA-N,DTXCID4040765,Public_Low,-,-,-,4,1,-,-,-,-,-,-
Perchloric acid--(5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one (1/1),CASRN:1217692-15-3,DTXSID10747378,O[Cl](=O)(=O)=O.CN1[C@@H](CCC1=O)C1=CN=CC=C1,CN1C(CCC1=O)C1=CN=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3",UIKROCXWUNQSPJ-UHFFFAOYSA-N,DTXCID4027577,Public_Low,-,-,-,3,1,-,-,-,-,-,-
1-Amino-5-phenylpyrrolidin-2-one,CASRN:88730-07-8,DTXSID60749862,NN1C(CCC1=O)C1=CC=CC=C1,NN1C(CCC1=O)C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-12-9(6-7-10(12)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2",WIDYQKJKNHLGBT-UHFFFAOYSA-N,DTXCID30843861,Public_Low,-,-,-,5,1,-,-,-,-,-,-
"2-Phenyl-2,3,4,5-tetrahydropyridazin-3-ol",CASRN:96286-38-3,DTXSID30759938,OC1CCC=NN1C1=CC=CC=C1,OC1CCC=NN1C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-10-7-4-8-11-12(10)9-5-2-1-3-6-9/h1-3,5-6,8,10,13H,4,7H2",ZEJOJXZMZZMLAP-UHFFFAOYSA-N,DTXCID30848997,Public_Low,-,-,-,6,1,-,-,-,-,-,-
1-Methyl-5-[(1H-pyrrol-2-yl)methylidene]pyrrolidin-2-one,CASRN:96601-15-9,DTXSID50760107,CN1C(=O)CCC1=CC1=CC=CN1,CN1C(=O)CCC1=CC1=CC=CN1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)7-8-3-2-6-11-8/h2-3,6-7,11H,4-5H2,1H3",MDTQHBQLUDUPSV-UHFFFAOYSA-N,DTXCID60710850,Public_Low,-,-,-,4,1,-,-,-,-,-,-
3-(2-Aminoanilino)-2-methylprop-2-enal,CASRN:111873-12-2,DTXSID50763719,CC(C=O)=CNC1=CC=CC=C1N,CC(C=O)C=NC1=CC=CC=C1N,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8(7-13)6-12-10-5-3-2-4-9(10)11/h2-8H,11H2,1H3",NIVMPBKORBRSGH-UHFFFAOYSA-N,DTXCID801126112,Public_Low,-,-,-,5,1,-,-,-,-,-,-
(4E)-4-[(Pyridin-3-yl)imino]pentan-2-one,CASRN:116178-44-0,DTXSID30766420,CC(=O)C\\C(C)=N\\C1=CN=CC=C1,CC(=O)CC(C)=NC1=CN=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8(6-9(2)13)12-10-4-3-5-11-7-10/h3-5,7H,6H2,1-2H3",VMLLMDKTQIEPQC-UHFFFAOYSA-N,DTXCID901042373,Public_Low,-,-,-,5,1,-,-,-,-,-,-
"4-(4-Methyl-4,5-dihydro-1,3-oxazol-2-yl)aniline",CASRN:144232-55-3,DTXSID00771864,CC1COC(=N1)C1=CC=C(N)C=C1,CC1COC(=N1)C1=CC=C(N)C=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-6-13-10(12-7)8-2-4-9(11)5-3-8/h2-5,7H,6,11H2,1H3",LPIISCBPIBSJQR-UHFFFAOYSA-N,DTXCID70854759,Public_Low,-,-,-,5,1,-,-,-,-,-,-
1-(Pyrazin-2-yl)cyclohex-3-en-1-ol,CASRN:185460-84-8,DTXSID70774660,OC1(CCC=CC1)C1=NC=CN=C1,OC1(CCC=CC1)C1=CN=CC=N1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-10(4-2-1-3-5-10)9-8-11-6-7-12-9/h1-2,6-8,13H,3-5H2",BHYVFMLQGMCDOQ-UHFFFAOYSA-N,DTXCID80856103,Public_Low,-,-,-,5,1,-,-,-,-,-,-
(2E)-2-(Methylimino)-N-phenylpropanamide,CASRN:65954-99-6,DTXSID90792947,C\\N=C(/C)C(=O)NC1=CC=CC=C1,CN=C(C)C(=O)NC1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8(11-2)10(13)12-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,12,13)",UNYUOFGREAOCJF-UHFFFAOYSA-N,DTXCID101044456,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"1-(4,5,6,7-Tetrahydro-1H-indazol-1-yl)prop-2-en-1-one",CASRN:62715-96-2,DTXSID30796606,C=CC(=O)N1N=CC2=C1CCCC2,C=CC(=O)N1N=CC2=C1CCCC2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-2-10(13)12-9-6-4-3-5-8(9)7-11-12/h2,7H,1,3-6H2",VWYIUPVGPPRJIU-UHFFFAOYSA-N,DTXCID20747349,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"3-(2-Aminoethyl)-1H-indol-5-ol--2,4,6-trinitrophenol (1/1)",CASRN:6106-56-5,DTXSID90796829,NCCC1=CNC2=C1C=C(O)C=C2.OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O,NCCC1=CNC2=CC=C(O)C=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2",QZAYGJVTTNCVMB-UHFFFAOYSA-N,DTXCID4040765,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"4,4-Dimethyl-3,4-dihydrophthalazin-1(2H)-one",CASRN:663608-66-0,DTXSID40797841,CC1(C)NNC(=O)C2=CC=CC=C12,CC1(C)NNC(=O)C2=CC=CC=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-10(2)8-6-4-3-5-7(8)9(13)11-12-10/h3-6,12H,1-2H3,(H,11,13)",HYAOGJWUCWWBAP-UHFFFAOYSA-N,DTXCID30748584,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"N-[(6S)-6,7-Dihydro-5H-cyclopenta[b]pyridin-6-yl]acetamide",CASRN:654676-26-3,DTXSID30798509,CC(=O)N[C@H]1CC2=C(C1)N=CC=C2,CC(=O)NC1CC2=C(C1)N=CC=C2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7(13)12-9-5-8-3-2-4-11-10(8)6-9/h2-4,9H,5-6H2,1H3,(H,12,13)",RDOOSVQDUDDDSM-UHFFFAOYSA-N,DTXCID30917213,Public_Low,-,-,-,3,1,-,-,-,-,-,-
"But-2-enedioic acid--5-(phenoxymethyl)-4,5-dihydro-1H-imidazole (1/1)",CASRN:652128-76-2,DTXSID10799256,OC(=O)C=CC(O)=O.C(OC1=CC=CC=C1)C1CN=CN1,C(OC1=CC=CC=C1)C1CN=CN1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-2-4-10(5-3-1)13-7-9-6-11-8-12-9/h1-5,8-9H,6-7H2,(H,11,12)",ORWZDUSSYBIRIY-UHFFFAOYSA-N,DTXCID70917611,Public_Low,-,-,-,3,1,-,-,-,-,-,-
"6-[2-(1,2-Oxazol-5-yl)ethenyl]-1,2,3,4-tetrahydropyridine",CASRN:651314-35-1,DTXSID10799574,C1CNC(C=CC2=CC=NO2)=CC1,C1CCC(C=CC2=CC=NO2)=NC1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-2-7-11-9(3-1)4-5-10-6-8-12-13-10/h4-6,8H,1-3,7H2",OHYPZKBASMVIEB-UHFFFAOYSA-N,DTXCID801136787,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"2-[2-(1,2-Oxazol-5-yl)ethenyl]-1,2,3,4-tetrahydropyridine",CASRN:651314-34-0,DTXSID70799575,C1CC(NC=C1)C=CC1=CC=NO1,C1CC=NC(C1)C=CC1=CC=NO1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-2-7-11-9(3-1)4-5-10-6-8-12-13-10/h4-9H,1-3H2",LMFPRDYJICOZKV-UHFFFAOYSA-N,DTXCID501136788,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"3,9-Dimethyl-3,4-dihydro-2H-pyrido[1,2-a]pyrimidin-2-one",CASRN:61751-43-7,DTXSID30814455,CC1CN2C=CC=C(C)C2=NC1=O,CC1CN2C=CC=C(C)C2=NC1=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-4-3-5-12-6-8(2)10(13)11-9(7)12/h3-5,8H,6H2,1-2H3",QKHZTIHWQSXMPC-UHFFFAOYSA-N,DTXCID60925624,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"N-(3-Methyl-7,8-dihydroquinolin-5(6H)-ylidene)hydroxylamine",CASRN:60355-49-9,DTXSID80822161,CC1=CC2=C(CCCC2=NO)N=C1,CC1=CN=C2CCCC(N=O)C2=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-5-8-9(11-6-7)3-2-4-10(8)12-13/h5-6,10H,2-4H2,1H3",KHTZKDIFFCYYPD-UHFFFAOYSA-N,DTXCID10929359,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"1-Acetyl-3-methyl-2,3-dihydro-1H-benzimidazol-1-ium acetate",CASRN:88037-76-7,DTXSID20830927,CC([O-])=O.CN1C[NH+](C(C)=O)C2=CC=CC=C12,CN1CN(C(C)=O)C2=CC=CC=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8(13)12-7-11(2)9-5-3-4-6-10(9)12/h3-6H,7H2,1-2H3",WRTQMCWLOJETIG-UHFFFAOYSA-N,DTXCID90933954,Public_Low,-,-,-,3,1,-,-,-,-,-,-
"1-(1H-Imidazol-1-yl)-2-methylhexa-3,5-dien-1-one",CASRN:921763-71-5,DTXSID50841107,CC(C=CC=C)C(=O)N1C=CN=C1,CC(C=CC=C)C(=O)N1C=CN=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-3-4-5-9(2)10(13)12-7-6-11-8-12/h3-9H,1H2,2H3",BTOPOYAIQYIOJX-UHFFFAOYSA-N,DTXCID801048273,Public_Low,-,-,-,3,1,-,-,-,-,-,-
N-[(2-Methylaziridin-1-yl)(phenyl)methylidene]hydroxylamine,CASRN:919296-01-8,DTXSID20844069,CC1CN1C(=NO)C1=CC=CC=C1,CC1CN1C(N=O)C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8-7-12(8)10(11-13)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3",YKBISZBCRLRTBS-UHFFFAOYSA-N,DTXCID50902222,Public_Low,-,-,-,4,1,-,-,-,-,-,-
2-(4-Methylphenyl)pyrazolidin-3-one,CASRN:90061-90-8,DTXSID50849108,CC1=CC=C(C=C1)N1NCCC1=O,CC1=CC=C(C=C1)N1NCCC1=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8-2-4-9(5-3-8)12-10(13)6-7-11-12/h2-5,11H,6-7H2,1H3",YAUNXQLUMXEZQQ-UHFFFAOYSA-N,DTXCID80799849,Public_Low,-,-,-,6,1,-,-,-,-,-,-
Perchloric acid--N-[(E)-(dimethylamino)methylidene]benzamide (1/1),CASRN:54079-21-9,DTXSID60850684,O[Cl](=O)(=O)=O.CN(C)\\C=N\\C(=O)C1=CC=CC=C1,CN(C)C=NC(=O)C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-12(2)8-11-10(13)9-6-4-3-5-7-9/h3-8H,1-2H3",DKWUEAZDXGFDFD-UHFFFAOYSA-N,DTXCID301048935,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"4-Methyl-5-(~2~H_5_)phenyl-4,5-dihydro-1,3-oxazol-2-amine",CASRN:152477-94-6,DTXSID30858011,[2H]C1=C([2H])C([2H])=C(C2OC(N)=NC2C)C([2H])=C1[2H],CC1N=C(N)OC1C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H2,11,12)",LJQBMYDFWFGESC-UHFFFAOYSA-N,DTXCID70206653,Public_Low,-,-,-,3,1,-,-,-,-,-,-
"5-[4-(~2~H_3_)Methylphenyl]-4,5-dihydro-1,3-oxazol-2-amine",CASRN:1329610-51-6,DTXSID90858012,[2H]C([2H])([2H])C1=CC=C(C=C1)C1CN=C(N)O1,CC1=CC=C(C=C1)C1CN=C(N)O1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-2-4-8(5-3-7)9-6-12-10(11)13-9/h2-5,9H,6H2,1H3,(H2,11,12)",ZEQYKJRCFOFECD-UHFFFAOYSA-N,DTXCID20908594,Public_Low,-,-,-,3,1,-,-,-,-,-,-
"(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-amine",CASRN:29493-77-4,DTXSID2048870,C[C@@H]1N=C(N)O[C@@H]1C1=CC=CC=C1,CC1N=C(N)OC1C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-9(13-10(11)12-7)8-5-3-2-4-6-8/h2-7,9H,1H3,(H2,11,12)",LJQBMYDFWFGESC-UHFFFAOYSA-N,DTXCID70206653,DSSTox_Low,-,1.895734597,19,22,13,-,1,-,-,-,-
PYRIDO-PYRIMIDINONE ANALOG (RINGS=565),CASRN:NOCAS_875953,DTXSID60875953,O=C1N2CCCC2=NC2=C1CCC2,O=C1N2CCCC2=NC2=C1CCC2,C10H12N2O,176.094963,InChI=1S/C10H12N2O/c13-10-7-3-1-4-8(7)11-9-5-2-6-12(9)10/h1-6H2,BRFWYALXFLAMPV-UHFFFAOYSA-N,DTXCID901014069,Public_Low,-,-,-,-,2,-,-,-,-,-,-
2-Amino-1-(1H-indol-3-yl)ethan-1-ol--hydrogen chloride (1/1),CASRN:101832-02-4,DTXSID20906671,Cl.NCC(O)C1=CNC2=CC=CC=C12,NCC(O)C1=CNC2=CC=CC=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-5-10(13)8-6-12-9-4-2-1-3-7(8)9/h1-4,6,10,12-13H,5,11H2",UMDWJYHTZUWTET-UHFFFAOYSA-N,DTXCID30876194,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"(4,5-Dihydro-1H-imidazol-2-yl)(phenyl)methanol",CASRN:109055-32-5,DTXSID00910978,[H][C@](O)(C1=NCCN1)C1=CC=CC=C1,OC(C1=NCCN1)C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c13-9(10-11-6-7-12-10)8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)",BGKOOWIPOZKILG-UHFFFAOYSA-N,DTXCID701439835,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"Hydroxy(1,2,3,4-tetrahydroisoquinolin-3-yl)methaniminium",CASRN:112794-29-3,DTXSID40920894,[H][C@@]1(CC2=CC=CC=C2CN1)C(O)=[NH2+],OC(=N)C1CC2=C(CN1)C=CC=C2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-10(13)9-5-7-3-1-2-4-8(7)6-12-9/h1-4,9,12H,5-6H2,(H2,11,13)",JFMNKDRNEZZRBW-UHFFFAOYSA-N,DTXCID901442993,Public_Low,-,-,-,-,2,-,-,-,-,-,-
1-(5-Methoxy-1H-indol-2-yl)methanamine,CASRN:130445-55-5,DTXSID50926741,COC1=CC2=C(NC(CN)=C2)C=C1,COC1=CC2=C(NC(CN)=C2)C=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-13-9-2-3-10-7(5-9)4-8(6-11)12-10/h2-5,12H,6,11H2,1H3",UGMMLOHVKZGOJU-UHFFFAOYSA-N,DTXCID001355547,Public_Low,-,-,-,-,2,-,-,-,-,-,-
Hexanedioic acid--3-(2-aminoethyl)-1H-indol-5-ol (1/1),CASRN:13425-34-8,DTXSID80928536,OC(=O)CCCCC(O)=O.NCCC1=CNC2=C1C=C(O)C=C2,NCCC1=CNC2=CC=C(O)C=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10/h1-2,5-6,12-13H,3-4,11H2",QZAYGJVTTNCVMB-UHFFFAOYSA-N,DTXCID4040765,Public_Low,-,-,-,-,2,-,-,-,-,-,-
1-(4-Aminophenyl)pyrrolidin-2-one,CASRN:13691-22-0,DTXSID70929577,NC1=CC=C(C=C1)N1CCCC1=O,NC1=CC=C(C=C1)N1CCCC1=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-8-3-5-9(6-4-8)12-7-1-2-10(12)13/h3-6H,1-2,7,11H2",IOMOVAPYJQVJDK-UHFFFAOYSA-N,DTXCID501358322,Public_Low,-,-,-,-,2,-,-,-,-,-,-
3-(2-Phenylhydrazinylidene)butan-2-one,CASRN:13732-32-6,DTXSID60929768,CC(=O)C(C)=NNC1=CC=CC=C1,CC(N=NC1=CC=CC=C1)C(C)=O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8(9(2)13)11-12-10-6-4-3-5-7-10/h3-8H,1-2H3",MXNUQVAYYIGSEG-UHFFFAOYSA-N,DTXCID001446500,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"(5,6-Dimethyl-1H-benzimidazol-1-yl)methanol",CASRN:19539-34-5,DTXSID60941309,CC1=CC2=C(C=C1C)N(CO)C=N2,CC1=CC2=C(C=C1C)N(CO)C=N2,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-3-9-10(4-8(7)2)12(6-13)5-11-9/h3-5,13H,6H2,1-2H3",PFCNDSQZKWGKTN-UHFFFAOYSA-N,DTXCID301369751,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"3-Methyl-4,5-dihydro-3H-1,4-benzodiazepin-2-ol",CASRN:258850-07-6,DTXSID50948786,CC1NCC2=CC=CC=C2N=C1O,CC1NCC2=CC=CC=C2N=C1O,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-7-10(13)12-9-5-3-2-4-8(9)6-11-7/h2-5,7,11H,6H2,1H3,(H,12,13)",SBBGNRXYCGCZGA-UHFFFAOYSA-N,DTXCID601377000,Public_Low,-,-,-,-,2,-,-,-,-,-,-
3-(2-Aminoethyl)-3H-indol-2-ol--hydrogen chloride (1/1),CASRN:4993-84-4,DTXSID60964477,Cl.NCCC1C(O)=NC2=CC=CC=C12,NCCC1C(O)=NC2=CC=CC=C12,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-6-5-8-7-3-1-2-4-9(7)12-10(8)13/h1-4,8H,5-6,11H2,(H,12,13)",SZDFIVJGWVHZAV-UHFFFAOYSA-N,DTXCID701457124,Public_Low,-,-,-,-,2,-,-,-,-,-,-
3-Amino-1-phenylpyrrolidin-2-one--hydrogen chloride--water (1/1/1),CASRN:63886-25-9,DTXSID10980748,O.Cl.NC1CCN(C1=O)C1=CC=CC=C1,NC1CCN(C1=O)C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-9-6-7-12(10(9)13)8-4-2-1-3-5-8/h1-5,9H,6-7,11H2",CLKQZOVQZNETMH-UHFFFAOYSA-N,DTXCID40995820,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"2,2'-(7-Oxabicyclo[2.2.1]heptane-2,3-diyl)diacetonitrile",CASRN:73806-07-2,DTXSID90994803,N#CCC1C2CCC(O2)C1CC#N,N#CCC1C2CCC(O2)C1CC#N,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-5-3-7-8(4-6-12)10-2-1-9(7)13-10/h7-10H,1-4H2",JZMHFZCLNHTHSO-UHFFFAOYSA-N,DTXCID201421835,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"3-Methyl-5-phenyl-1,3-oxazolidin-2-imine",CASRN:75343-73-6,DTXSID00996797,CN1CC(OC1=N)C1=CC=CC=C1,CN1CC(OC1=N)C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-12-7-9(13-10(12)11)8-5-3-2-4-6-8/h2-6,9,11H,7H2,1H3",PINRUEQFGKWBTO-UHFFFAOYSA-N,DTXCID001423809,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"N-(4-Methylphenyl)-4,5-dihydro-1,3-oxazol-2-amine",CASRN:7632-95-3,DTXSID40997687,CC1=CC=C(NC2=NCCO2)C=C1,CC1=CC=C(NC2=NCCO2)C=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c1-8-2-4-9(5-3-8)12-10-11-6-7-13-10/h2-5H,6-7H2,1H3,(H,11,12)",NEVRAXFZOXHXAV-UHFFFAOYSA-N,DTXCID501424688,Public_Low,-,-,-,-,2,-,-,-,-,-,-
4-Amino-1-phenylpyrrolidin-2-one--hydrogen chloride (1/1),CASRN:774-21-0,DTXSID20998612,Cl.NC1CN(C(=O)C1)C1=CC=CC=C1,NC1CN(C(=O)C1)C1=CC=CC=C1,C10H12N2O,176.094963,"InChI=1S/C10H12N2O/c11-8-6-10(13)12(7-8)9-4-2-1-3-5-9/h1-5,8H,6-7,11H2",UDKJUMSGHZGQEH-UHFFFAOYSA-N,DTXCID701467806,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"2,2',2'',2'''-[(1,2-Dioxoethane-1,2-diyl)dinitrilo]tetraacetic acid",CASRN:37034-47-2,DTXSID80958212,OC(=O)CN(CC(O)=O)C(=O)C(=O)N(CC(O)=O)CC(O)=O,OC(=O)CN(CC(O)=O)C(=O)C(=O)N(CC(O)=O)CC(O)=O,C10H12N2O10,320.0491946,"InChI=1S/C10H12N2O10/c13-5(14)1-11(2-6(15)16)9(21)10(22)12(3-7(17)18)4-8(19)20/h1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)",WTEJYHLVDVMUMY-UHFFFAOYSA-N,DTXCID701386125,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"Acetamide, N,N'-1,4-phenylenebis-",CASRN:140-50-1,DTXSID2059695,CC(=O)NC1=CC=C(NC(C)=O)C=C1,CC(=O)NC1=CC=C(NC(C)=O)C=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7(13)11-9-3-5-10(6-4-9)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)",KVEDKKLZCJBVNP-UHFFFAOYSA-N,DTXCID7034541,Public_High,-,-,-,63,14,-,-,1,1,-,1
"Butanamide, N-(3-aminophenyl)-3-oxo-, monohydrochloride",CASRN:59994-21-7,DTXSID1069374,Cl.CC(=O)CC(=O)NC1=CC=CC(N)=C1,CC(=O)CC(=O)Nc1cccc(N)c1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7(13)5-10(14)12-9-4-2-3-8(11)6-9/h2-4,6H,5,11H2,1H3,(H,12,14)",LPOVGUZCXWCZLY-UHFFFAOYSA-N,DTXCID10197879,Public_High,-,-,-,10,6,-,-,-,-,-,-
"Acetamide, N,N'-m-phenylenebis- (6CI,7CI,8CI)",CASRN:10268-78-7,DTXSID10145451,CC(=O)NC1=CC(NC(C)=O)=CC=C1,CC(=O)NC1=CC(NC(C)=O)=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7(13)11-9-4-3-5-10(6-9)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)",UQVKNKXDSWRQJE-UHFFFAOYSA-N,DTXCID3067942,Public_Medium,-,-,-,42,11,-,-,-,1,-,1
"5,7-Dihydroxytryptamine creatinine sulfate",CASRN:102853-43-0,DTXSID60145547,OS(O)(=O)=O.CN1CC(=O)N=C1N.NCCC1=CNC2=CC(O)=C(O)C=C12,NCCC1=CNC2=CC(O)=C(O)C=C12,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-2-1-6-5-12-8-4-10(14)9(13)3-7(6)8/h3-5,12-14H,1-2,11H2",SKOKLDQYOKPCPU-UHFFFAOYSA-N,DTXCID00121421,Public_Medium,-,-,9,11,5,-,-,-,-,-,-
"4-Isoquinolinecarboxylic acid, 5,6,7,8-tetrahydro-3-amino-",CASRN:130688-31-2,DTXSID60156678,NC1=NC=C2CCCCC2=C1C(O)=O,NC1=NC=C2CCCCC2=C1C(O)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-9-8(10(13)14)7-4-2-1-3-6(7)5-12-9/h5H,1-4H2,(H2,11,12)(H,13,14)",VZRCUHMQWPZOEL-UHFFFAOYSA-N,DTXCID7079169,Public_Medium,-,-,-,15,3,-,-,-,-,-,-
"2-Imidazolidinone, 1-(p-methoxyphenyl)-",CASRN:14599-72-5,DTXSID20163247,COC1=CC=C(C=C1)N1CCNC1=O,COC1=CC=C(C=C1)N1CCNC1=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-14-9-4-2-8(3-5-9)12-7-6-11-10(12)13/h2-5H,6-7H2,1H3,(H,11,13)",FNWSPWKYYZASIN-UHFFFAOYSA-N,DTXCID1085738,Public_Medium,-,-,-,47,4,-,-,-,-,-,-
"Acetamide, N-(4-(methylamino)-5-oxo-1,3,6-cycloheptatrien-1-yl)-",CASRN:18188-68-6,DTXSID10171199,CNC1=CC=C(NC(C)=O)C=CC1=O,CN=C1CC=C(C=CC1=O)N=C(C)O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7(13)12-8-3-5-9(11-2)10(14)6-4-8/h3-4,6H,5H2,1-2H3,(H,12,13)",GZGCGMRRCUOEGE-UHFFFAOYSA-N,DTXCID501272358,Public_Medium,-,-,-,14,3,-,-,-,-,-,-
"N,N'-(o-Phenylene)di(acetamide)",CASRN:2050-85-3,DTXSID60174493,CC(=O)NC1=CC=CC=C1NC(C)=O,CC(=O)NC1=CC=CC=C1NC(C)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7(13)11-9-5-3-4-6-10(9)12-8(2)14/h3-6H,1-2H3,(H,11,13)(H,12,14)",RLARNJBPODGLAZ-UHFFFAOYSA-N,DTXCID0096984,Public_Medium,-,-,-,60,11,-,-,-,1,-,1
"1H-2,3-Benzoxazine, 3,4-dihydro-3-acetyl-7-amino-",CASRN:21965-10-6,DTXSID00176375,CC(=O)N1CC2=C(CO1)C=C(N)C=C2,CC(=O)N1CC2=C(CO1)C=C(N)C=C2,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7(13)12-5-8-2-3-10(11)4-9(8)6-14-12/h2-4H,5-6,11H2,1H3",XEIDPXZIMOWYQI-UHFFFAOYSA-N,DTXCID3098866,Public_Medium,-,-,-,14,3,-,-,-,-,-,-
"2,5-Diaziridinylhydroquinone",CASRN:2588-34-3,DTXSID10180524,OC1=CC(N2CC2)=C(O)C=C1N1CC1,OC1=CC(N2CC2)=C(O)C=C1N1CC1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-9-6-8(12-3-4-12)10(14)5-7(9)11-1-2-11/h5-6,13-14H,1-4H2",XPZMWTZEBALMMC-UHFFFAOYSA-N,DTXCID50103015,Public_Medium,-,-,2,24,7,-,-,-,-,-,-
"Benzamide, 2-((2-oxopropyl)amino)-",CASRN:27545-04-6,DTXSID50181954,CC(=O)CNC1=CC=CC=C1C(N)=O,CC(=O)CNC1=CC=CC=C1C(N)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7(13)6-12-9-5-3-2-4-8(9)10(11)14/h2-5,12H,6H2,1H3,(H2,11,14)",ILAJRTDNJJZPMG-UHFFFAOYSA-N,DTXCID90104445,Public_Medium,-,-,-,18,4,-,-,-,-,-,-
Proximphan,CASRN:2828-42-4,DTXSID70182529,CC(C)=NOC(=O)NC1=CC=CC=C1,CC(C)=NOC(=O)NC1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-8(2)12-14-10(13)11-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,11,13)",LATYTXGNKNKTDS-UHFFFAOYSA-N,DTXCID60105020,Public_Medium,-,-,-,35,23,-,-,-,1,-,1
"2H-1,2,4-Oxadiazin-3(4H)-one, dihydro-4-methyl-2-phenyl-",CASRN:30148-96-0,DTXSID60184239,CN1CCON(C1=O)C1=CC=CC=C1,CN1CCON(C1=O)C1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-11-7-8-14-12(10(11)13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3",AQKDLCLPZJPBNV-UHFFFAOYSA-N,DTXCID20106730,Public_Medium,-,-,-,11,3,-,-,-,-,-,-
"5,7-Dihydroxytryptamine",CASRN:31363-74-3,DTXSID00185285,NCCC1=CNC2=C(O)C=C(O)C=C12,NCCC1=CNC2=C(O)C=C(O)C=C12,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-2-1-6-5-12-10-8(6)3-7(13)4-9(10)14/h3-5,12-14H,1-2,11H2",LXWHQTNFZDTKBH-UHFFFAOYSA-N,DTXCID10107776,Public_Medium,-,-,1263,31,16,-,-,1,1,-,1
"Ethanol, 2-(1-benzimidazolylmethoxy)-, picrate",CASRN:34703-78-1,DTXSID10188262,OCCOCN1C=NC2=CC=CC=C12.OC1=C(C=C(C=C1[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O,OCCOCN1C=NC2=C1C=CC=C2,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-5-6-14-8-12-7-11-9-3-1-2-4-10(9)12/h1-4,7,13H,5-6,8H2",CEPOBBMKTRLNKD-UHFFFAOYSA-N,DTXCID601018074,Public_Medium,-,-,-,14,3,-,-,-,-,-,-
"1-Aziridinecarboxamide, N-(o-methoxyphenyl)-",CASRN:3647-16-3,DTXSID10189976,COC1=CC=CC=C1NC(=O)N1CC1,COC1=CC=CC=C1NC(=O)N1CC1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-14-9-5-3-2-4-8(9)11-10(13)12-6-7-12/h2-5H,6-7H2,1H3,(H,11,13)",REOFILVLNKDTRH-UHFFFAOYSA-N,DTXCID70112467,Public_Medium,-,-,-,11,3,-,-,-,-,-,-
"1-Aziridinecarboxamide, N-(p-methoxyphenyl)-",CASRN:3647-17-4,DTXSID70189977,COC1=CC=C(NC(=O)N2CC2)C=C1,COC1=CC=C(NC(=O)N2CC2)C=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-14-9-4-2-8(3-5-9)11-10(13)12-6-7-12/h2-5H,6-7H2,1H3,(H,11,13)",GBDLUTIVVYJERP-UHFFFAOYSA-N,DTXCID30112468,Public_Medium,-,-,-,16,3,-,-,-,-,-,-
Betanil 70,CASRN:37287-66-4,DTXSID20190735,CC(C)OC(=O)NC1=CC=CC=C1.CC(C)=NOC(=O)NC1=CC=CC=C1.O=C1NC2=C(CCC2)C(=O)N1C1CCCCC1,CC(C)=NOC(=O)NC1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-8(2)12-14-10(13)11-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,11,13)",LATYTXGNKNKTDS-UHFFFAOYSA-N,DTXCID60105020,Public_Medium,-,-,-,4,3,-,-,-,-,-,-
"4,5-Dihydroxytryptamine",CASRN:42241-03-2,DTXSID30195079,NCCC1=CNC2=C1C(O)=C(O)C=C2,NCCC1=CNC2=C1C(O)=C(O)C=C2,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-4-3-6-5-12-7-1-2-8(13)10(14)9(6)7/h1-2,5,12-14H,3-4,11H2",HKPREGWFNPFQEA-UHFFFAOYSA-N,DTXCID90117570,Public_Medium,-,-,-,9,3,-,-,-,-,-,-
Nicopholine [INN:DCF],CASRN:492-85-3,DTXSID10197713,O=C(N1CCOCC1)C1=CN=CC=C1,O=C(N1CCOCC1)C1=CN=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-10(9-2-1-3-11-8-9)12-4-6-14-7-5-12/h1-3,8H,4-7H2",QLPQPTXSAXQCMR-UHFFFAOYSA-N,DTXCID70120204,Public_Medium,-,-,-,39,12,-,-,-,1,-,1
"5,6-Dihydroxytryptamine",CASRN:5090-36-8,DTXSID40198930,NCCC1=CNC2=CC(O)=C(O)C=C12,NCCC1=CNC2=CC(O)=C(O)C=C12,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-2-1-6-5-12-8-4-10(14)9(13)3-7(6)8/h3-5,12-14H,1-2,11H2",SKOKLDQYOKPCPU-UHFFFAOYSA-N,DTXCID00121421,Public_Medium,-,-,368,32,17,-,-,1,1,-,1
"Carbamic acid, (3-chlorophenyl)-, 1-methylethyl ester, mixt. with 3-cyclohexyl-6,7-dihydro-1H-cyclopentapyrimidine-2,4(3H,5H)-dione and 2-propanone O-((phenylamino)carbonyl)oxime",CASRN:50934-69-5,DTXSID10198967,CC(C)OC(=O)NC1=CC(Cl)=CC=C1.CC(C)=NOC(=O)NC1=CC=CC=C1.O=C1NC2=C(CCC2)C(=O)N1C1CCCCC1,CC(C)=NOC(=O)NC1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-8(2)12-14-10(13)11-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,11,13)",LATYTXGNKNKTDS-UHFFFAOYSA-N,DTXCID60105020,Public_Medium,-,-,-,7,3,-,-,-,-,-,-
"N-(2-Hydroxy-6,7-dihydro-5H-cyclopenta(b)pyridin-4-yl)acetamide",CASRN:5453-91-8,DTXSID20202943,CC(=O)NC1=CC(=O)NC2=C1CCC2,CC(=O)NC1=CC(=O)N=C2CCCC12,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-6(13)11-9-5-10(14)12-8-4-2-3-7(8)9/h5,7H,2-4H2,1H3,(H,11,13)",BXUYDROOKXJFFL-UHFFFAOYSA-N,DTXCID50220958,Public_Medium,-,-,-,14,3,-,-,-,-,-,-
"Indole-4,7-diol, 3-(2-aminoethyl)-",CASRN:55206-14-9,DTXSID70203703,NCCC1=CNC2=C(O)C=CC(O)=C12,NCCC1=CNC2=C(O)C=CC(O)=C12,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-4-3-6-5-12-10-8(14)2-1-7(13)9(6)10/h1-2,5,12-14H,3-4,11H2",CDOZGDYHEGFFLX-UHFFFAOYSA-N,DTXCID60126194,Public_Medium,-,-,-,10,3,-,-,-,-,-,-
"1H-Cyclopentapyrimidine-2,4(3H,5H)-dione, 3-cyclohexyl-6,7-dihydro-, mixt. with 2-propanone O-((phenylamino)carbonyl)oxime",CASRN:66305-78-0,DTXSID50216518,CC(C)=NOC(=O)NC1=CC=CC=C1.O=C1NC2=C(CCC2)C(=O)N1C1CCCCC1,CC(C)=NOC(=O)NC1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-8(2)12-14-10(13)11-9-6-4-3-5-7-9/h3-7H,1-2H3,(H,11,13)",LATYTXGNKNKTDS-UHFFFAOYSA-N,DTXCID60105020,Public_Medium,-,-,-,7,3,-,-,-,-,-,-
"o-Toluamide, N-(carbamoylmethyl)-",CASRN:6754-94-5,DTXSID20217870,CC1=CC=CC=C1C(=O)NCC(N)=O,CC1=CC=CC=C1C(=O)NCC(N)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7-4-2-3-5-8(7)10(14)12-6-9(11)13/h2-5H,6H2,1H3,(H2,11,13)(H,12,14)",FYGDRFCJOTYIQM-UHFFFAOYSA-N,DTXCID70140361,Public_Medium,-,-,-,16,3,-,-,-,-,-,-
"2-(3,4-Dihydroxybenzyl)imidazoline",CASRN:72143-18-1,DTXSID40222466,OC1=C(O)C=C(CC2=NCCN2)C=C1,OC1=C(O)C=C(CC2=NCCN2)C=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-8-2-1-7(5-9(8)14)6-10-11-3-4-12-10/h1-2,5,13-14H,3-4,6H2,(H,11,12)",WCYFCPHBDDVLTE-UHFFFAOYSA-N,DTXCID40144957,Public_Medium,-,-,1,17,8,-,-,-,-,-,-
"Acetamide, N-((methylamino)carbonyl)-N-phenyl-",CASRN:72570-69-5,DTXSID60222882,CNC(=O)N(C(C)=O)C1=CC=CC=C1,CNC(=O)N(C(C)=O)C1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-8(13)12(10(14)11-2)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,11,14)",NECIDYRIOVUIQQ-UHFFFAOYSA-N,DTXCID90145373,Public_Medium,-,-,-,7,3,-,-,-,-,-,-
"Aniline, o-methoxy-N-(2-oxazolinyl)-",CASRN:90918-28-8,DTXSID30238319,COC1=CC=CC=C1NC1=NCCO1,COC1=CC=CC=C1NC1=NCCO1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-13-9-5-3-2-4-8(9)12-10-11-6-7-14-10/h2-5H,6-7H2,1H3,(H,11,12)",SZGAIRQJODVNSI-UHFFFAOYSA-N,DTXCID00160810,Public_Medium,-,-,-,10,3,-,-,-,-,-,-
ethyl 4-carbamimidoylbenzoate,CASRN:15676-12-7,DTXSID00274709,CCOC(=O)C1=CC=C(C=C1)C(N)=N,CCOC(=O)C1=CC=C(C=C1)C(N)=N,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h3-6H,2H2,1H3,(H3,11,12)",SEBINEYTXBJXOB-UHFFFAOYSA-N,DTXCID30226170,Public_Low,-,-,-,19,1,-,-,-,-,-,-
"ethyl 4-cyano-3,5-dimethyl-1H-pyrrole-2-carboxylate",CASRN:6297-38-7,DTXSID60280568,CCOC(=O)C1=C(C)C(C#N)=C(C)N1,CCOC(=O)C1=C(C)C(C#N)=C(C)N1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-4-14-10(13)9-6(2)8(5-11)7(3)12-9/h12H,4H2,1-3H3",SULBRDPVMGNAIS-UHFFFAOYSA-N,DTXCID10231722,Public_Low,-,-,-,26,2,-,-,-,-,-,-
n'-acetyl-n'-methylbenzohydrazide,CASRN:6327-62-4,DTXSID90287424,CN(NC(=O)C1=CC=CC=C1)C(C)=O,CN(NC(=O)C1=CC=CC=C1)C(C)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-8(13)12(2)11-10(14)9-6-4-3-5-7-9/h3-7H,1-2H3,(H,11,14)",SLXHEHBKSQXOAP-UHFFFAOYSA-N,DTXCID90238572,Public_Low,-,-,-,13,2,-,-,-,-,-,-
"2,4-bis(prop-2-en-1-yloxy)pyrimidine",CASRN:1489-12-9,DTXSID50293344,C=CCOC1=NC(OCC=C)=NC=C1,C=CCOC1=NC(OCC=C)=NC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-3-7-13-9-5-6-11-10(12-9)14-8-4-2/h3-6H,1-2,7-8H2",LTXXFFSWFQKSJC-UHFFFAOYSA-N,DTXCID20244484,Public_Low,-,-,-,15,2,-,-,-,-,-,-
"n-(2,6-dimethylphenyl)-n-nitrosoacetamide",CASRN:86756-31-2,DTXSID00295777,CC(=O)N(N=O)C1=C(C)C=CC=C1C,CC(=O)N(N=O)C1=C(C)C=CC=C1C,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7-5-4-6-8(2)10(7)12(11-14)9(3)13/h4-6H,1-3H3",JXMUYKRNLSIMPM-UHFFFAOYSA-N,DTXCID90246915,Public_Low,-,-,-,14,2,-,-,-,-,-,-
4-(Pyrrolidin-1-yl)pyridine-2-carboxylic acid,CASRN:66933-69-5,DTXSID60296700,OC(=O)C1=NC=CC(=C1)N1CCCC1,OC(=O)C1=NC=CC(=C1)N1CCCC1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-10(14)9-7-8(3-4-11-9)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,13,14)",BFBSDJMGXPOZJS-UHFFFAOYSA-N,DTXCID60247838,Public_Low,-,-,-,30,3,-,-,-,-,-,-
n-nitroso-n-(2-phenylethyl)acetamide,CASRN:14300-08-4,DTXSID60299599,CC(=O)N(CCC1=CC=CC=C1)N=O,CC(=O)N(CCC1=CC=CC=C1)N=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-9(13)12(11-14)8-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3",FRVGOKGYFLWLGX-UHFFFAOYSA-N,DTXCID50250735,Public_Low,-,-,-,13,2,-,-,-,-,-,-
"(1e)-n-hydroxy-1-[(4e)-4-(1-nitrosoethylidene)cyclohexa-2,5-dien-1-ylidene]ethanamine",CASRN:27912-60-3,DTXSID20299838,CC(NO)=C1C=CC(C=C1)=C(C)N=O,CC(N=O)C1C=CC(C=C1)=C(C)N=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7(11-13)9-3-5-10(6-4-9)8(2)12-14/h3-7,9H,1-2H3/b10-8-",GFMFLPGAFYIELI-NTMALXAHSA-N,DTXCID301183664,Public_Low,-,-,-,27,3,-,-,-,-,-,-
4-prop-2-enoxy-1-prop-2-enylpyrimidin-2-one,CASRN:6204-03-1,DTXSID70304340,C=CCOC1=NC(=O)N(CC=C)C=C1,C=CCOC1=NC(=O)N(CC=C)C=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-3-6-12-7-5-9(11-10(12)13)14-8-4-2/h3-5,7H,1-2,6,8H2",GESYRSYXBDPJKQ-UHFFFAOYSA-N,DTXCID00255472,Public_Low,-,-,-,9,2,-,-,-,-,-,-
ST037999,CASRN:17718-67-1,DTXSID50305390,CCOCC1=C(C#N)C(=O)NC(C)=C1,CCOCC1=C(C#N)C(=O)N=C(C)C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-3-14-6-8-4-7(2)12-10(13)9(8)5-11/h3-4,6H2,1-2H3",RTGVOWVYAGOVCC-UHFFFAOYSA-N,DTXCID501185428,Public_Low,-,-,-,27,4,-,-,-,-,-,-
1-(5-Methoxy-1H-benzoimidazol-2-yl)-ethanol,CASRN:18046-39-4,DTXSID80306138,COC1=CC2=C(C=C1)N=C(N2)C(C)O,COC1=CC=C2N=C(NC2=C1)C(C)O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-6(13)10-11-8-4-3-7(14-2)5-9(8)12-10/h3-6,13H,1-2H3,(H,11,12)",JQWUCRAPWREFES-UHFFFAOYSA-N,DTXCID20955947,Public_Low,-,-,-,30,3,-,-,-,-,-,-
N-[4-[ethyl(formyl)amino]phenyl]formamide,CASRN:49645-17-2,DTXSID90308547,CCN(C=O)C1=CC=C(NC=O)C=C1,CCN(C=O)C1=CC=C(NC=O)C=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-12(8-14)10-5-3-9(4-6-10)11-7-13/h3-8H,2H2,1H3,(H,11,13)",ZAFVUNFUVRJYNB-UHFFFAOYSA-N,DTXCID20259674,Public_Low,-,-,-,10,2,-,-,-,-,-,-
N-(3-Hydroxyphenyl)-N'-prop-2-en-1-ylurea,CASRN:70171-68-5,DTXSID10310142,OC1=CC=CC(NC(=O)NCC=C)=C1,OC1=CC=CC(NC(=O)NCC=C)=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-6-11-10(14)12-8-4-3-5-9(13)7-8/h2-5,7,13H,1,6H2,(H2,11,12,14)",MTTZAHDVXFJKIB-UHFFFAOYSA-N,DTXCID30261268,Public_Low,-,-,-,11,2,-,-,-,-,-,-
"Benzoic acid, 4-[(dimethylhydrazono)methyl]-",CASRN:117260-07-8,DTXSID80310452,CN(C)N=CC1=CC=C(C=C1)C(O)=O,CN(C)N=CC1=CC=C(C=C1)C(O)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-12(2)11-7-8-3-5-9(6-4-8)10(13)14/h3-7H,1-2H3,(H,13,14)",IFFZFNUUKJLEST-UHFFFAOYSA-N,DTXCID00261578,Public_Low,-,-,-,10,1,-,-,-,-,-,-
2-[2-(2-amino-2-oxoethyl)phenyl]acetamide,CASRN:7500-54-1,DTXSID70322620,NC(=O)CC1=CC=CC=C1CC(N)=O,NC(=O)CC1=CC=CC=C1CC(N)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-9(13)5-7-3-1-2-4-8(7)6-10(12)14/h1-4H,5-6H2,(H2,11,13)(H2,12,14)",REEFTYZPATZMKV-UHFFFAOYSA-N,DTXCID20273739,Public_Low,-,-,-,13,2,-,-,-,-,-,-
ST50045993,CASRN:54009-57-3,DTXSID60326056,CC(C)=NNC(=O)C1=CC=CC=C1O,CC(C)N=NC(=O)C1=CC=CC=C1O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7(2)11-12-10(14)8-5-3-4-6-9(8)13/h3-7,13H,1-2H3",NYECGWYSIOSINH-UHFFFAOYSA-N,DTXCID001067047,Public_Low,-,-,-,20,2,-,-,-,-,-,-
1-(4-nitrophenyl)pyrrolidine,CASRN:10220-22-1,DTXSID40326236,[O-][N+](=O)C1=CC=C(C=C1)N1CCCC1,[O-][N+](=O)C1=CC=C(C=C1)N1CCCC1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-12(14)10-5-3-9(4-6-10)11-7-1-2-8-11/h3-6H,1-2,7-8H2",IXQSJUBRGIJRCV-UHFFFAOYSA-N,DTXCID40277350,Public_Low,-,-,-,71,3,-,-,-,-,-,-
Acanthicifoline,CASRN:76193-60-7,DTXSID90331850,COC1=C2CC(=O)NC(C)C2=CN=C1,COC1=CN=CC2=C1CC(=O)NC2C,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-6-8-4-11-5-9(14-2)7(8)3-10(13)12-6/h4-6H,3H2,1-2H3,(H,12,13)",JSJALGZAHYXCKU-UHFFFAOYSA-N,DTXCID00964335,Public_Low,-,-,-,10,5,-,-,-,-,-,-
"Formamide, N,N'-[1,3-phenylenebis(methylene)]bis-",CASRN:59276-03-8,DTXSID80341943,O=CNCC1=CC(CNC=O)=CC=C1,O=CNCC1=CC(CNC=O)=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-7-11-5-9-2-1-3-10(4-9)6-12-8-14/h1-4,7-8H,5-6H2,(H,11,13)(H,12,14)",ZUUAKXMTKFCWJM-UHFFFAOYSA-N,DTXCID70293023,Public_Low,-,-,-,22,3,-,-,-,-,-,-
"2-Propanamine, N-[(3-nitrophenyl)methylene]-",CASRN:27895-80-3,DTXSID40344990,CC(C)\\N=C\\C1=CC(=CC=C1)[N+]([O-])=O,CC(C)N=CC1=CC(=CC=C1)[N+]([O-])=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-8(2)11-7-9-4-3-5-10(6-9)12(13)14/h3-8H,1-2H3",HDFNAXYTYVHKHU-UHFFFAOYSA-N,DTXCID501067535,Public_Low,-,-,-,14,4,-,-,1,-,-,-
1-methoxy-3-phenylimidazolidin-2-one,CASRN:52420-43-6,DTXSID00345625,CON1CCN(C1=O)C1=CC=CC=C1,CON1CCN(C1=O)C1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-14-12-8-7-11(10(12)13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3",MYNMDQQTJFGTQX-UHFFFAOYSA-N,DTXCID50296698,Public_Low,-,-,-,10,2,-,-,-,-,-,-
"Propanoic acid, 2-[(4-methylphenyl)hydrazono]-",CASRN:89314-29-4,DTXSID40350339,CC(=NNC1=CC=C(C)C=C1)C(O)=O,CC(N=NC1=CC=C(C)C=C1)C(O)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7-3-5-9(6-4-7)12-11-8(2)10(13)14/h3-6,8H,1-2H3,(H,13,14)",KGFULMPHXHXPRV-UHFFFAOYSA-N,DTXCID201067681,Public_Low,-,-,-,10,1,-,-,-,-,-,-
1-(3-nitrophenyl)pyrrolidine,CASRN:132993-20-5,DTXSID80351345,[O-][N+](=O)C1=CC=CC(=C1)N1CCCC1,[O-][N+](=O)C1=CC=CC(=C1)N1CCCC1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-12(14)10-5-3-4-9(8-10)11-6-1-2-7-11/h3-5,8H,1-2,6-7H2",GRNJGZQBTNJPIL-UHFFFAOYSA-N,DTXCID60302411,Public_Low,-,-,-,43,2,-,-,-,-,-,-
6-(Pyrrolidin-1-yl)pyridine-3-carboxylic acid,CASRN:210963-95-4,DTXSID90353315,OC(=O)C1=CN=C(C=C1)N1CCCC1,OC(=O)C1=CN=C(C=C1)N1CCCC1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-10(14)8-3-4-9(11-7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,13,14)",LURIZRKTAXJRKU-UHFFFAOYSA-N,DTXCID00304378,Public_Low,-,-,-,57,3,-,-,-,-,-,-
"5,6-Dimethoxy-2-methylbenzimidazole",CASRN:51437-32-2,DTXSID80354290,COC1=C(OC)C=C2N=C(C)NC2=C1,COC1=C(OC)C=C2N=C(C)NC2=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-6-11-7-4-9(13-2)10(14-3)5-8(7)12-6/h4-5H,1-3H3,(H,11,12)",UZXACZRAUVKJFI-UHFFFAOYSA-N,DTXCID10305351,Public_Low,-,-,-,35,1,-,-,-,-,-,-
N-[(5-METHYL-2-FURYL)METHYLIDENEAMINO]CYCLOPROPANECARBOXAMIDE,CASRN:5557-51-7,DTXSID90357934,CC1=CC=C(O1)C=NNC(=O)C1CC1,CC1=CC=C(CN=NC(=O)C2CC2)O1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7-2-5-9(14-7)6-11-12-10(13)8-3-4-8/h2,5,8H,3-4,6H2,1H3",OYJNMAISOAQUOV-UHFFFAOYSA-N,DTXCID701067905,Public_Low,-,-,-,9,2,-,-,-,-,-,-
6-Morpholinonicotinaldehyde,CASRN:173282-60-5,DTXSID30380100,O=CC1=CN=C(C=C1)N1CCOCC1,O=CC1=CN=C(C=C1)N1CCOCC1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-8-9-1-2-10(11-7-9)12-3-5-14-6-4-12/h1-2,7-8H,3-6H2",VZEANTSDLFVWCK-UHFFFAOYSA-N,DTXCID20331126,Public_Low,-,-,-,52,1,-,-,-,-,-,-
2-Morpholinonicotinaldehyde,CASRN:465514-09-4,DTXSID60380193,O=CC1=C(N=CC=C1)N1CCOCC1,O=CC1=C(N=CC=C1)N1CCOCC1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-8-9-2-1-3-11-10(9)12-4-6-14-7-5-12/h1-3,8H,4-7H2",CCPVZIBHRFCNTR-UHFFFAOYSA-N,DTXCID90331219,Public_Low,-,-,-,44,1,-,-,-,-,-,-
2-(1-pyrrolidinyl)nicotinic acid,CASRN:690632-36-1,DTXSID00383365,OC(=O)C1=C(N=CC=C1)N1CCCC1,OC(=O)C1=C(N=CC=C1)N1CCCC1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-10(14)8-4-3-5-11-9(8)12-6-1-2-7-12/h3-5H,1-2,6-7H2,(H,13,14)",DTUSJCJZQJAPGD-UHFFFAOYSA-N,DTXCID70334389,Public_Low,-,-,-,46,1,-,-,-,-,-,-
N~1~-benzyl-N~2~-methylethanediamide,CASRN:7666-51-5,DTXSID50393651,CNC(=O)C(=O)NCC1=CC=CC=C1,CNC(=O)C(=O)NCC1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-11-9(13)10(14)12-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13)(H,12,14)",FFPIZYFOORIYJJ-UHFFFAOYSA-N,DTXCID40344511,Public_Low,-,-,-,24,1,-,-,-,-,-,-
3-(4-FORMYLAMINOBUTYRYL)PYRIDINE,CASRN:887355-56-8,DTXSID30395012,O=CNCCCC(=O)C1=CN=CC=C1,O=CNCCCC(=O)C1=CN=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-8-12-6-2-4-10(14)9-3-1-5-11-7-9/h1,3,5,7-8H,2,4,6H2,(H,12,13)",VBBSCQOGXSQFNC-UHFFFAOYSA-N,DTXCID90345871,Public_Low,-,-,-,20,1,-,-,-,-,-,-
2-benzylpropanediamide,CASRN:1846-13-5,DTXSID30400130,NC(=O)C(CC1=CC=CC=C1)C(N)=O,NC(=O)C(CC1=CC=CC=C1)C(N)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-9(13)8(10(12)14)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,13)(H2,12,14)",RBRUESIJXFRMJA-UHFFFAOYSA-N,DTXCID50350986,Public_Low,-,-,-,18,2,-,-,-,-,-,-
1-(2-methoxyphenyl)imidazolidin-2-one,CASRN:62868-43-3,DTXSID90401244,COC1=CC=CC=C1N1CCNC1=O,COC1=CC=CC=C1N1CCNC1=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-14-9-5-3-2-4-8(9)12-7-6-11-10(12)13/h2-5H,6-7H2,1H3,(H,11,13)",PCHATQNMMNNTMY-UHFFFAOYSA-N,DTXCID80352099,Public_Low,-,-,-,27,2,-,-,-,-,-,-
"3,6,6-trimethyl-2,7-dihydroindazole-4,5-dione",CASRN:62775-18-2,DTXSID70403423,CC1=C2C(CC(C)(C)C(=O)C2=O)=NN1,CC1=C2C(CC(C)(C)C(=O)C2=O)=NN1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-5-7-6(12-11-5)4-10(2,3)9(14)8(7)13/h4H2,1-3H3,(H,11,12)",MCFCOCDPTUAHDA-UHFFFAOYSA-N,DTXCID00354277,Public_Low,-,-,-,14,1,-,-,-,-,-,-
"Propanoic acid, 2-(phenylhydrazono)-, methyl ester",CASRN:71466-92-7,DTXSID20403978,COC(=O)C(C)=NNC1=CC=CC=C1,COC(=O)C(C)N=NC1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-8(10(13)14-2)11-12-9-6-4-3-5-7-9/h3-8H,1-2H3",FHGTYFXEHQRTAD-UHFFFAOYSA-N,DTXCID401069421,Public_Low,-,-,-,10,1,-,-,-,-,-,-
N-[(3-nitrophenyl)methyl]cyclopropanamine,CASRN:697305-95-6,DTXSID90405949,[O-][N+](=O)C1=CC=CC(CNC2CC2)=C1,[O-][N+](=O)C1=CC=CC(CNC2CC2)=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-12(14)10-3-1-2-8(6-10)7-11-9-4-5-9/h1-3,6,9,11H,4-5,7H2",GWSJEOSLGCHZPF-UHFFFAOYSA-N,DTXCID90356801,Public_Low,-,-,-,25,1,-,-,-,-,-,-
4-(ALLYLOXY)BENZOHYDRAZIDE,CASRN:90480-14-1,DTXSID50406518,NNC(=O)C1=CC=C(OCC=C)C=C1,NNC(=O)C1=CC=C(OCC=C)C=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-7-14-9-5-3-8(4-6-9)10(13)12-11/h2-6H,1,7,11H2,(H,12,13)",OEWQNCITKNGNRN-UHFFFAOYSA-N,DTXCID10357370,Public_Low,-,-,-,30,1,-,-,-,-,-,-
2-(ALLYLOXY)BENZOHYDRAZIDE,CASRN:18167-41-4,DTXSID20406520,NNC(=O)C1=CC=CC=C1OCC=C,NNC(=O)C1=CC=CC=C1OCC=C,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-7-14-9-6-4-3-5-8(9)10(13)12-11/h2-6H,1,7,11H2,(H,12,13)",IMBKJYHONFLHFH-UHFFFAOYSA-N,DTXCID30357372,Public_Low,-,-,-,31,1,-,-,-,-,-,-
"N,N'-dimethylphthalamide",CASRN:19532-98-0,DTXSID70412292,CNC(=O)C1=CC=CC=C1C(=O)NC,CNC(=O)C1=CC=CC=C1C(=O)NC,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-11-9(13)7-5-3-4-6-8(7)10(14)12-2/h3-6H,1-2H3,(H,11,13)(H,12,14)",OAJRKNFPHGSOSX-UHFFFAOYSA-N,DTXCID60363143,Public_Low,-,-,-,20,1,-,-,-,-,-,-
(5-ethoxy-1H-benzimidazol-2-yl)methanol,CASRN:889961-14-2,DTXSID90415427,CCOC1=CC2=C(C=C1)N=C(CO)N2,CCOC1=CC2=C(C=C1)N=C(CO)N2,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-14-7-3-4-8-9(5-7)12-10(6-13)11-8/h3-5,13H,2,6H2,1H3,(H,11,12)",YDASGJWFOCWHRN-UHFFFAOYSA-N,DTXCID80366277,Public_Low,-,-,-,30,1,-,-,-,-,-,-
NSC122077,CASRN:93691-14-6,DTXSID70419125,C\\C(=N\\OCC1=CC=CC=C1)C(N)=O,CC(=NOCC1=CC=CC=C1)C(N)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-8(10(11)13)12-14-7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H2,11,13)",USTODXXHEFIDFN-UHFFFAOYSA-N,DTXCID801072492,Public_Low,-,-,-,9,2,-,-,-,-,-,-
NSC177746,CASRN:93691-12-4,DTXSID90422434,CC\\C(N)=N\\OC(=O)C1=CC=CC=C1,CC\\C(N)=N\\OC(=O)C1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-9(11)12-14-10(13)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,11,12)",XZMNVVIDCIWPAG-UHFFFAOYSA-N,DTXCID10373277,Public_Low,-,-,-,3,2,-,-,-,-,-,-
N-(2-Ethylphenyl)-2-(hydroxyimino)acetamide,CASRN:7509-61-7,DTXSID00423250,CCC1=CC=CC=C1NC(=O)C=NO,CCC1=CC=CC=C1NC(=O)CN=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-8-5-3-4-6-9(8)12-10(13)7-11-14/h3-6H,2,7H2,1H3,(H,12,13)",VGTUHLXLDJOHKJ-UHFFFAOYSA-N,DTXCID90833642,Public_Low,-,-,-,10,3,-,-,-,-,-,-
2-Pyrrolidin-1-yl-isonicotinic acid,CASRN:98088-04-1,DTXSID90424433,OC(=O)C1=CC(=NC=C1)N1CCCC1,OC(=O)C1=CC(=NC=C1)N1CCCC1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-10(14)8-3-4-11-9(7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,13,14)",PQLHQGBNMJTAEH-UHFFFAOYSA-N,DTXCID20375267,Public_Low,-,-,-,48,2,-,-,-,-,-,-
"6-Amino-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one",CASRN:70488-69-6,DTXSID70424572,CC1OC2=C(C=C(N)C=C2)N(C)C1=O,CC1OC2=CC=C(N)C=C2N(C)C1=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-6-10(13)12(2)8-5-7(11)3-4-9(8)14-6/h3-6H,11H2,1-2H3",VMAFNQGGBBRALN-UHFFFAOYSA-N,DTXCID00834044,Public_Low,-,-,-,29,2,-,-,-,-,-,-
(R)-4-(4-Aminobenzyl)oxazolidin-2-one,CASRN:262857-90-9,DTXSID60426808,NC1=CC=C(C[C@@H]2COC(=O)N2)C=C1,NC1=CC=C(CC2COC(=O)N2)C=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-8-3-1-7(2-4-8)5-9-6-14-10(13)12-9/h1-4,9H,5-6,11H2,(H,12,13)",WNAVSKJKDPLWBD-UHFFFAOYSA-N,DTXCID40817871,Public_Low,-,-,-,20,1,-,-,-,-,-,-
ZINC04997807,CASRN:939819-39-3,DTXSID80428662,C[C@H]1OC2=C(C=C(N)C=C2)N(C)C1=O,CC1OC2=CC=C(N)C=C2N(C)C1=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-6-10(13)12(2)8-5-7(11)3-4-9(8)14-6/h3-6H,11H2,1-2H3",VMAFNQGGBBRALN-UHFFFAOYSA-N,DTXCID00834044,Public_Low,-,-,-,12,1,-,-,-,-,-,-
AC1OMO01,CASRN:939819-42-8,DTXSID40428663,C[C@@H]1OC2=C(C=C(N)C=C2)N(C)C1=O,CC1OC2=CC=C(N)C=C2N(C)C1=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-6-10(13)12(2)8-5-7(11)3-4-9(8)14-6/h3-6H,11H2,1-2H3",VMAFNQGGBBRALN-UHFFFAOYSA-N,DTXCID00834044,Public_Low,-,-,-,12,1,-,-,-,-,-,-
2-Morpholinoisonicotinaldehyde,CASRN:864068-87-1,DTXSID80428748,O=CC1=CC(=NC=C1)N1CCOCC1,O=CC1=CC(=NC=C1)N1CCOCC1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-8-9-1-2-11-10(7-9)12-3-5-14-6-4-12/h1-2,7-8H,3-6H2",VMFCHBZYIHUMQE-UHFFFAOYSA-N,DTXCID60379582,Public_Low,-,-,-,34,1,-,-,-,-,-,-
N-(2-(Methylamino)-2-oxoethyl)benzamide,CASRN:25443-66-7,DTXSID50429247,CNC(=O)CNC(=O)C1=CC=CC=C1,CNC(=O)CNC(=O)C1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-11-9(13)7-12-10(14)8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,11,13)(H,12,14)",JJFFVOGHOGCISB-UHFFFAOYSA-N,DTXCID50380081,Public_Low,-,-,-,29,1,-,-,-,-,-,-
ST51027119,CASRN:24009-94-7,DTXSID90429620,COC(=O)N\\N=C\\CC1=CC=CC=C1,COC(=O)N=NCCC1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-14-10(13)12-11-8-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3",ABXZXBXNYWIKPT-UHFFFAOYSA-N,DTXCID501075273,Public_Low,-,-,-,11,2,-,-,-,-,-,-
NSC240010,CASRN:90918-13-1,DTXSID90429640,COC(=O)\\C=N\\NC1=CC=C(C)C=C1,COC(=O)CN=NC1=CC=C(C)C=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-8-3-5-9(6-4-8)12-11-7-10(13)14-2/h3-6H,7H2,1-2H3",DMOLUGCUNKKJQS-UHFFFAOYSA-N,DTXCID701075293,Public_Low,-,-,-,6,2,-,-,-,-,-,-
ST50332333,CASRN:15540-89-3,DTXSID80430644,CC1=CC(NC(=O)\\C=N\\O)=C(C)C=C1,CC1=CC=C(C)C(NC(=O)CN=O)=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7-3-4-8(2)9(5-7)12-10(13)6-11-14/h3-5H,6H2,1-2H3,(H,12,13)",UOCXDKPEYLDDCG-UHFFFAOYSA-N,DTXCID30837129,Public_Low,-,-,-,16,3,-,-,-,-,-,-
"6-butyl-3H-furo[2,3-d]pyrimidin-2-one",CASRN:473450-34-9,DTXSID80431833,CCCCC1=CC2=C(NC(=O)N=C2)O1,CCCCC1=CC2=C(NC(=O)N=C2)O1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-3-4-8-5-7-6-11-10(13)12-9(7)14-8/h5-6H,2-4H2,1H3,(H,11,12,13)",ZAESGNQGLBAHBZ-UHFFFAOYSA-N,DTXCID70382663,Public_Low,-,-,-,15,1,-,-,-,-,-,-
"1,2-Diazete, 3,4-dihydro-3,3-dimethyl-4-phenyl-, 1,2-dioxide",CASRN:140133-90-0,DTXSID80433751,CC1(C)C(C2=CC=CC=C2)[N+](=O)N1[O-],CC1(C)C(C2=CC=CC=C2)[N+](=O)N1[O-],C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-10(2)9(11(13)12(10)14)8-6-4-3-5-7-8/h3-7,9H,1-2H3",VOFDVSHLDKRGRE-UHFFFAOYSA-N,DTXCID601308425,Public_Low,-,-,-,8,1,-,-,-,-,-,-
Hydroxycotinine,CASRN:205246-48-6,DTXSID60436881,CN1[C@@H](CC(O)C1=O)C1=CN=CC=C1,CN1C(CC(O)C1=O)C1=CN=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3",XOKCJXZZNAUIQN-UHFFFAOYSA-N,DTXCID80839234,Public_Low,-,-,-,13,7,-,-,-,-,-,1
"Morpholine, 3-[3-(5-isoxazolyl)-2-propynyl]-",CASRN:651314-79-3,DTXSID70438179,C(C#CC1=CC=NO1)C1COCCN1,C(C#CC1=CC=NO1)C1COCCN1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1(3-10-4-5-12-14-10)2-9-8-13-7-6-11-9/h4-5,9,11H,2,6-8H2",KOOKVWNERGXHFI-UHFFFAOYSA-N,DTXCID30839648,Public_Low,-,-,-,9,1,-,-,-,-,-,-
"5,7-DIMETHOXY-3-METHYLINDAZOLE",CASRN:154876-15-0,DTXSID80438882,COC1=CC2=C(C)NN=C2C(OC)=C1,COC1=CC2=C(C)NN=C2C(OC)=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-6-8-4-7(13-2)5-9(14-3)10(8)12-11-6/h4-5H,1-3H3,(H,11,12)",SAEQJYKKYFAOJJ-UHFFFAOYSA-N,DTXCID80389704,Public_Low,-,-,-,13,1,-,-,-,-,-,-
"8-Nitro-2,3,4,5-tetrahydro-1H-benzo[c]azepine",CASRN:223915-75-1,DTXSID40438883,[O-][N+](=O)C1=CC2=C(CCCNC2)C=C1,[O-][N+](=O)C1=CC2=C(CCCNC2)C=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-12(14)10-4-3-8-2-1-5-11-7-9(8)6-10/h3-4,6,11H,1-2,5,7H2",SMAZDNVHMACXLU-UHFFFAOYSA-N,DTXCID40389705,Public_Low,-,-,-,34,2,-,-,-,-,-,-
"3-nitro-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine",CASRN:123792-59-6,DTXSID70441027,[O-][N+](=O)C1=CC2=C(CCCCC2)N=C1,[O-][N+](=O)C1=CC2=C(CCCCC2)N=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-12(14)9-6-8-4-2-1-3-5-10(8)11-7-9/h6-7H,1-5H2",VWVCKAQKUQSCGW-UHFFFAOYSA-N,DTXCID00391849,Public_Low,-,-,-,22,1,-,-,-,-,-,-
"N-methyl-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide",CASRN:91842-95-4,DTXSID10442391,CNC(=O)C1CNC2=CC=CC=C2O1,CNC(=O)C1CNC2=CC=CC=C2O1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-11-10(13)9-6-12-7-4-2-3-5-8(7)14-9/h2-5,9,12H,6H2,1H3,(H,11,13)",FRXGPQDQIXIIBG-UHFFFAOYSA-N,DTXCID001000057,Public_Low,-,-,-,23,2,-,-,-,-,-,-
4-(4-aminophenyl)morpholin-3-one,CASRN:438056-69-0,DTXSID90458314,NC1=CC=C(C=C1)N1CCOCC1=O,NC1=CC=C(C=C1)N1CCOCC1=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-8-1-3-9(4-2-8)12-5-6-14-7-10(12)13/h1-4H,5-7,11H2",MHCRLDZZHOVFEE-UHFFFAOYSA-N,DTXCID80409133,Public_Low,-,-,-,90,9,-,-,-,-,-,1
"7-NITRO-2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINE",CASRN:34583-83-0,DTXSID70461907,[O-][N+](=O)C1=CC2=C(CCNCC2)C=C1,[O-][N+](=O)C1=CC2=C(CCNCC2)C=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-12(14)10-2-1-8-3-5-11-6-4-9(8)7-10/h1-2,7,11H,3-6H2",TXJXCXSFIVCGDS-UHFFFAOYSA-N,DTXCID60412726,Public_Low,-,-,-,29,1,-,-,-,-,-,-
"4,4'-Biisoxazole, 3,3',5,5'-tetramethyl-",CASRN:38604-92-1,DTXSID20466487,CC1=C(C(C)=NO1)C1=C(C)ON=C1C,CC1=C(C(C)=NO1)C1=C(C)ON=C1C,C10H12N2O2,192.0898776,InChI=1S/C10H12N2O2/c1-5-9(7(3)13-11-5)10-6(2)12-14-8(10)4/h1-4H3,LUFVNSPNUXBVBQ-UHFFFAOYSA-N,DTXCID50417306,Public_Low,-,-,-,9,1,-,-,-,-,-,-
"1-Methyl-7-nitro-1,2,3,4-tetrahydroquinoline",CASRN:39275-18-8,DTXSID10467221,CN1CCCC2=C1C=C(C=C2)[N+]([O-])=O,CN1CCCC2=C1C=C(C=C2)[N+]([O-])=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-11-6-2-3-8-4-5-9(12(13)14)7-10(8)11/h4-5,7H,2-3,6H2,1H3",UIQYGCGBKBKFJY-UHFFFAOYSA-N,DTXCID00418040,Public_Low,-,-,-,65,1,-,-,-,-,-,-
5-hexynyluracil,CASRN:140914-91-6,DTXSID60470487,CCCCC#CC1=CNC(=O)NC1=O,CCCCC#CC1C=NC(=O)NC1=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-3-4-5-6-8-7-11-10(14)12-9(8)13/h7-8H,2-4H2,1H3,(H,12,13,14)",XQIYOSXMBQJOOO-UHFFFAOYSA-N,DTXCID001234674,Public_Low,-,-,-,16,1,-,-,-,-,-,-
"7-nitro-1,2,3,4-tetrahydro-1-naphthalenamine",CASRN:211372-31-5,DTXSID40478289,NC1CCCC2=C1C=C(C=C2)[N+]([O-])=O,NC1CCCC2=CC=C(C=C12)[N+]([O-])=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-10-3-1-2-7-4-5-8(12(13)14)6-9(7)10/h4-6,10H,1-3,11H2",ASDSSALPMXLNCA-UHFFFAOYSA-N,DTXCID401008996,Public_Low,-,-,-,11,1,-,-,-,-,-,-
SBB040173,CASRN:32654-84-5,DTXSID00484523,COC1(OC)N=C(N)C2=CC=CC=C12,COC1(OC)N=C(N)C2=CC=CC=C12,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-13-10(14-2)8-6-4-3-5-7(8)9(11)12-10/h3-6H,1-2H3,(H2,11,12)",ATMYSTFCQICLBS-UHFFFAOYSA-N,DTXCID00435333,Public_Low,-,-,-,15,1,-,-,-,-,-,-
"Quinoline, 1,2,3,4-tetrahydro-1-methyl-8-nitro-",CASRN:61862-78-0,DTXSID20484686,CN1CCCC2=C1C(=CC=C2)[N+]([O-])=O,CN1CCCC2=C1C(=CC=C2)[N+]([O-])=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-11-7-3-5-8-4-2-6-9(10(8)11)12(13)14/h2,4,6H,3,5,7H2,1H3",JHQDHQLQGKHEML-UHFFFAOYSA-N,DTXCID20435496,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"1,5-Dimethyl-7-nitro-2,3-dihydro-1H-indole",CASRN:61469-84-9,DTXSID60488264,CN1CCC2=C1C(=CC(C)=C2)[N+]([O-])=O,CN1CCC2=C1C(=CC(C)=C2)[N+]([O-])=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7-5-8-3-4-11(2)10(8)9(6-7)12(13)14/h5-6H,3-4H2,1-2H3",DEHHGLVDBSKNJN-UHFFFAOYSA-N,DTXCID60439074,Public_Low,-,-,-,4,1,-,-,-,-,-,-
Ethyl N'-benzoylcarbamimidate,CASRN:62432-77-3,DTXSID30489945,CCO\\C(N)=N/C(=O)C1=CC=CC=C1,CCO\\C(N)=N/C(=O)C1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-14-10(11)12-9(13)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,11,12,13)",QJCFJKKUNQKGFA-UHFFFAOYSA-N,DTXCID50440755,Public_Low,-,-,-,6,1,-,-,-,-,-,-
4-(3-Hydroxy-2-oxopropyl)benzene-1-carboximidamide,CASRN:60925-52-2,DTXSID90491786,NC(=N)C1=CC=C(CC(=O)CO)C=C1,NC(=N)C1=CC=C(CC(=O)CO)C=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-10(12)8-3-1-7(2-4-8)5-9(14)6-13/h1-4,13H,5-6H2,(H3,11,12)",XUBZULFXHHSVLQ-UHFFFAOYSA-N,DTXCID90442596,Public_Low,-,-,-,4,1,-,-,-,-,-,-
N~2~-Acetyl-N-phenylglycinamide,CASRN:30764-27-3,DTXSID60493979,CC(=O)NCC(=O)NC1=CC=CC=C1,CC(=O)NCC(=O)NC1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-8(13)11-7-10(14)12-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,11,13)(H,12,14)",WTMBVEKOTAHGAB-UHFFFAOYSA-N,DTXCID60444789,Public_Low,-,-,-,16,3,-,-,-,-,-,-
1-(2-Nitrophenyl)pyrrolidine,CASRN:40832-79-9,DTXSID70497160,[O-][N+](=O)C1=CC=CC=C1N1CCCC1,[O-][N+](=O)C1=CC=CC=C1N1CCCC1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-12(14)10-6-2-1-5-9(10)11-7-3-4-8-11/h1-2,5-6H,3-4,7-8H2",DHTSBEQPOXRZBB-UHFFFAOYSA-N,DTXCID40447970,Public_Low,-,-,-,43,2,-,-,-,-,-,-
"2,3,5,6-Tetramethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione",CASRN:68654-22-8,DTXSID30498512,CC1=C(C)C(=O)N2N1C(C)=C(C)C2=O,CC1=C(C)C(=O)N2N1C(C)=C(C)C2=O,C10H12N2O2,192.0898776,InChI=1S/C10H12N2O2/c1-5-7(3)11-8(4)6(2)10(14)12(11)9(5)13/h1-4H3,VWKNUUOGGLNRNZ-UHFFFAOYSA-N,DTXCID30449322,Public_Low,-,-,-,25,2,-,-,-,-,-,-
"2,3,6,7-Tetramethyl-1H,5H-pyrazolo[1,2-a]pyrazole-1,5-dione",CASRN:68654-23-9,DTXSID90498513,CC1=C(C)C(=O)N2N1C(=O)C(C)=C2C,CC1=C(C)C(=O)N2N1C(=O)C(C)=C2C,C10H12N2O2,192.0898776,InChI=1S/C10H12N2O2/c1-5-7(3)11-10(14)6(2)8(4)12(11)9(5)13/h1-4H3,UFTNINGYFKRDGE-UHFFFAOYSA-N,DTXCID90449323,Public_Low,-,-,-,13,1,-,-,-,-,-,-
N-Methyl-N-(methylcarbamoyl)benzamide,CASRN:67488-19-1,DTXSID90499222,CNC(=O)N(C)C(=O)C1=CC=CC=C1,CNC(=O)N(C)C(=O)C1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-11-10(14)12(2)9(13)8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,14)",PXBSNCRNNKRWEQ-UHFFFAOYSA-N,DTXCID10450032,Public_Low,-,-,-,7,1,-,-,-,-,-,-
Oxalic acid--4-[(azetidin-3-yl)oxy]benzamide (1/1),CASRN:82622-47-7,DTXSID00510497,OC(=O)C(O)=O.NC(=O)C1=CC=C(OC2CNC2)C=C1,NC(=O)C1=CC=C(OC2CNC2)C=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-10(13)7-1-3-8(4-2-7)14-9-5-12-6-9/h1-4,9,12H,5-6H2,(H2,11,13)",ZVNLVGSOTLHXCN-UHFFFAOYSA-N,DTXCID60972476,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"2,5-Diamino-3-methyl-6-(prop-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione",CASRN:81534-93-2,DTXSID10513853,CC1=C(N)C(=O)C(CC=C)=C(N)C1=O,CC1C(=N)C(=O)C(CC=C)C(=N)C1=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-3-4-6-8(12)9(13)5(2)7(11)10(6)14/h3,5-6,11-12H,1,4H2,2H3",ANAXCTVKBGDTTP-UHFFFAOYSA-N,DTXCID901246878,Public_Low,-,-,-,6,1,-,-,-,-,-,-
"1,4-Dimethyl-2-oxa-1,4-diazaspiro[4.6]undeca-6,8,10-trien-3-one",CASRN:90330-72-6,DTXSID40523940,CN1OC(=O)N(C)C11C=CC=CC=C1,CN1OC(=O)N(C)C11C=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-11-9(13)14-12(2)10(11)7-5-3-4-6-8-10/h3-8H,1-2H3",WYFUUIJACHDFEU-UHFFFAOYSA-N,DTXCID80474745,Public_Low,-,-,-,5,1,-,-,-,-,-,-
"N~1~,N~1~-Dimethylbenzene-1,2-dicarboxamide",CASRN:89777-52-6,DTXSID30528606,CN(C)C(=O)C1=CC=CC=C1C(N)=O,CN(C)C(=O)C1=CC=CC=C1C(N)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-12(2)10(14)8-6-4-3-5-7(8)9(11)13/h3-6H,1-2H3,(H2,11,13)",FCVIWMMSEWILOP-UHFFFAOYSA-N,DTXCID20479411,Public_Low,-,-,-,7,1,-,-,-,-,-,-
Pyridin-3-yl pyrrolidine-1-carboxylate,CASRN:62939-01-9,DTXSID80538573,O=C(OC1=CN=CC=C1)N1CCCC1,O=C(OC1=CN=CC=C1)N1CCCC1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-10(12-6-1-2-7-12)14-9-4-3-5-11-8-9/h3-5,8H,1-2,6-7H2",BPXUFTBIXQGKEU-UHFFFAOYSA-N,DTXCID90489360,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"2-(2,2-Dimethoxyethyl)pyridine-3-carbonitrile",CASRN:97308-52-6,DTXSID10539932,COC(CC1=C(C=CC=N1)C#N)OC,COC(CC1=C(C=CC=N1)C#N)OC,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-13-10(14-2)6-9-8(7-11)4-3-5-12-9/h3-5,10H,6H2,1-2H3",KUCFHYFYTPPUTO-UHFFFAOYSA-N,DTXCID90490719,Public_Low,-,-,-,15,1,-,-,-,-,-,-
"N-(2-Oxo-2,4,5,6-tetrahydro-1H-indol-3-yl)acetamide",CASRN:74495-91-3,DTXSID40541644,CC(=O)NC1=C2CCCC=C2NC1=O,C\\C(O)=N/C1=C2CCCCC2=NC1=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-6(13)11-9-7-4-2-3-5-8(7)12-10(9)14/h2-5H2,1H3,(H,11,12,13,14)",HZCVYTBXHTUNDO-UHFFFAOYSA-N,DTXCID301254970,Public_Low,-,-,-,4,1,-,-,-,-,-,-
4-Hydroxy-4-methyl-1-phenylpyrazolidin-3-one,CASRN:77777-68-5,DTXSID40545400,CC1(O)CN(NC1=O)C1=CC=CC=C1,CC1(O)CN(NC1=O)C1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-10(14)7-12(11-9(10)13)8-5-3-2-4-6-8/h2-6,14H,7H2,1H3,(H,11,13)",QYKXKAOLWMZSDQ-UHFFFAOYSA-N,DTXCID80939985,Public_Low,-,-,-,7,1,-,-,-,-,-,-
"6-Amino-2,2-dimethyl-2H-1,4-benzoxazin-3(4H)-one",CASRN:105807-84-9,DTXSID20546172,CC1(C)OC2=C(NC1=O)C=C(N)C=C2,CC1(C)OC2=C(NC1=O)C=C(N)C=C2,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-10(2)9(13)12-7-5-6(11)3-4-8(7)14-10/h3-5H,11H2,1-2H3,(H,12,13)",SZYICLSWZHMIFL-UHFFFAOYSA-N,DTXCID70496956,Public_Low,-,-,-,38,1,-,-,-,-,-,-
"6-Amino-2-ethyl-2H-1,4-benzoxazin-3(4H)-one",CASRN:105807-82-7,DTXSID40546174,CCC1OC2=C(NC1=O)C=C(N)C=C2,CCC1OC2=CC=C(N)C=C2NC1=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-8-10(13)12-7-5-6(11)3-4-9(7)14-8/h3-5,8H,2,11H2,1H3,(H,12,13)",CKJBBEPRAAFKSY-UHFFFAOYSA-N,DTXCID70940146,Public_Low,-,-,-,7,1,-,-,-,-,-,-
"7-Amino-2,2-dimethyl-2H-1,4-benzoxazin-3(4H)-one",CASRN:105807-83-8,DTXSID00546175,CC1(C)OC2=C(NC1=O)C=CC(N)=C2,CC1(C)OC2=C(NC1=O)C=CC(N)=C2,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-10(2)9(13)12-7-4-3-6(11)5-8(7)14-10/h3-5H,11H2,1-2H3,(H,12,13)",UXMAGPQBCODAEJ-UHFFFAOYSA-N,DTXCID50496959,Public_Low,-,-,-,54,1,-,-,-,-,-,-
"6-Amino-4-ethyl-2H-1,4-benzoxazin-3(4H)-one",CASRN:103361-44-0,DTXSID20546177,CCN1C(=O)COC2=C1C=C(N)C=C2,CCN1C(=O)COC2=C1C=C(N)C=C2,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-12-8-5-7(11)3-4-9(8)14-6-10(12)13/h3-5H,2,6,11H2,1H3",JJWMVWONUDEPCC-UHFFFAOYSA-N,DTXCID20496961,Public_Low,-,-,-,24,1,-,-,-,-,-,-
"7-Amino-2,4-dimethyl-2H-1,4-benzoxazin-3(4H)-one",CASRN:130137-40-5,DTXSID50546180,CC1OC2=C(C=CC(N)=C2)N(C)C1=O,CC1OC2=CC(N)=CC=C2N(C)C1=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-6-10(13)12(2)8-4-3-7(11)5-9(8)14-6/h3-6H,11H2,1-2H3",OIQGECPSMWFOCC-UHFFFAOYSA-N,DTXCID90940148,Public_Low,-,-,-,20,1,-,-,-,-,-,-
"2,5-Dihydroxyoctahydropentalene-2,5-dicarbonitrile",CASRN:111717-99-8,DTXSID20549183,OC1(CC2CC(O)(CC2C1)C#N)C#N,OC1(CC2CC(O)(CC2C1)C#N)C#N,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-5-9(13)1-7-2-10(14,6-12)4-8(7)3-9/h7-8,13-14H,1-4H2",HRBJMEZHELKFAB-UHFFFAOYSA-N,DTXCID70499967,Public_Low,-,-,-,5,1,-,-,-,-,-,-
3-Oxo-N-[(pyridin-2-yl)methyl]butanamide,CASRN:115064-49-8,DTXSID20553068,CC(=O)CC(=O)NCC1=CC=CC=N1,CC(=O)CC(=O)NCC1=CC=CC=N1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-8(13)6-10(14)12-7-9-4-2-3-5-11-9/h2-5H,6-7H2,1H3,(H,12,14)",UVXCXLOTBZOCHF-UHFFFAOYSA-N,DTXCID70503851,Public_Low,-,-,-,11,1,-,-,-,-,-,-
"4,7-Dimethoxy-2-methyl-1H-benzimidazole",CASRN:99922-32-4,DTXSID70553518,COC1=C2NC(C)=NC2=C(OC)C=C1,COC1=C2NC(C)=NC2=C(OC)C=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-6-11-9-7(13-2)4-5-8(14-3)10(9)12-6/h4-5H,1-3H3,(H,11,12)",GWZLMUNEDVTESN-UHFFFAOYSA-N,DTXCID50504301,Public_Low,-,-,-,14,2,-,-,-,-,-,-
1-(4-Methoxyphenyl)pyrazolidin-3-one,CASRN:6107-53-5,DTXSID80557027,COC1=CC=C(C=C1)N1CCC(=O)N1,COC1=CC=C(C=C1)N1CCC(=O)N1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-14-9-4-2-8(3-5-9)12-7-6-10(13)11-12/h2-5H,6-7H2,1H3,(H,11,13)",JEDFGCYVWYGWAK-UHFFFAOYSA-N,DTXCID20507809,Public_Low,-,-,-,13,1,-,-,-,-,-,-
N-(5-Acetyl-2-methylpyridin-4-yl)acetamide,CASRN:91842-97-6,DTXSID90562662,CC(=O)NC1=C(C=NC(C)=C1)C(C)=O,CC(=O)NC1=C(C=NC(C)=C1)C(C)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-6-4-10(12-8(3)14)9(5-11-6)7(2)13/h4-5H,1-3H3,(H,11,12,14)",ZCJROZLZSLBYIF-UHFFFAOYSA-N,DTXCID50513438,Public_Low,-,-,-,23,1,-,-,-,-,-,-
"6-Amino-1,2,3,4-tetrahydroquinoline-8-carboxylic acid",CASRN:123296-93-5,DTXSID60566612,NC1=CC2=C(NCCC2)C(=C1)C(O)=O,NC1=CC2=C(NCCC2)C(=C1)C(O)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-7-4-6-2-1-3-12-9(6)8(5-7)10(13)14/h4-5,12H,1-3,11H2,(H,13,14)",ZKPPAETZFKVEHX-UHFFFAOYSA-N,DTXCID20517387,Public_Low,-,-,-,16,1,-,-,-,-,-,-
(3S)-1-Methyl-3-(1-oxo-1lambda~5~-pyridin-3-yl)pyrrolidin-2-one,CASRN:184889-33-6,DTXSID80570877,CN1CC[C@H](C1=O)C1=C[N+]([O-])=CC=C1,CN1CCC(C1=O)C1=CC=C[N+]([O-])=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-11-6-4-9(10(11)13)8-3-2-5-12(14)7-8/h2-3,5,7,9H,4,6H2,1H3",FQDOTRHTEUOTAC-UHFFFAOYSA-N,DTXCID10946521,Public_Low,-,-,-,3,1,-,-,-,-,-,-
"(3S)-7-Amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid",CASRN:236429-63-3,DTXSID60573568,NC1=CC2=C(C[C@H](NC2)C(O)=O)C=C1,NC1=CC=C2CC(NCC2=C1)C(O)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-8-2-1-6-4-9(10(13)14)12-5-7(6)3-8/h1-3,9,12H,4-5,11H2,(H,13,14)",HXXXNZYXVHOELA-UHFFFAOYSA-N,DTXCID70863003,Public_Low,-,-,-,7,1,-,-,-,-,-,-
"7-Nitro-2,3,4,5-tetrahydro-1H-1-benzazepine",CASRN:444588-17-4,DTXSID20579142,[O-][N+](=O)C1=CC2=C(NCCCC2)C=C1,[O-][N+](=O)C1=CC2=C(NCCCC2)C=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-12(14)9-4-5-10-8(7-9)3-1-2-6-11-10/h4-5,7,11H,1-3,6H2",HWOWTNBPVSVMNF-UHFFFAOYSA-N,DTXCID40529907,Public_Low,-,-,-,24,1,-,-,-,-,-,-
N-(3-Amino-3-oxopropyl)benzamide,CASRN:3440-29-7,DTXSID70589332,NC(=O)CCNC(=O)C1=CC=CC=C1,NC(=O)CCNC(=O)C1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-9(13)6-7-12-10(14)8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,13)(H,12,14)",WUSQWHNIKNUEMP-UHFFFAOYSA-N,DTXCID40540096,Public_Low,-,-,-,12,1,-,-,-,-,-,-
Ethyl (2E)-3-(6-aminopyridin-3-yl)prop-2-enoate,CASRN:227963-57-7,DTXSID20590312,CCOC(=O)\\C=C\\C1=CN=C(N)C=C1,CCOC(=O)C=CC1=CN=C(N)C=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-14-10(13)6-4-8-3-5-9(11)12-7-8/h3-7H,2H2,1H3,(H2,11,12)",GXLHWGSBMOMMOD-UHFFFAOYSA-N,DTXCID801035961,Public_Low,-,-,-,33,2,-,-,-,-,-,-
"(3R)-7-Amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid",CASRN:754170-16-6,DTXSID40593360,NC1=CC2=C(C[C@@H](NC2)C(O)=O)C=C1,NC1=CC=C2CC(NCC2=C1)C(O)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-8-2-1-6-4-9(10(13)14)12-5-7(6)3-8/h1-3,9,12H,4-5,11H2,(H,13,14)",HXXXNZYXVHOELA-UHFFFAOYSA-N,DTXCID70863003,Public_Low,-,-,-,9,1,-,-,-,-,-,-
"3,3-Dimethyl-5-nitro-2,3-dihydro-1H-indole",CASRN:848047-43-8,DTXSID30594184,CC1(C)CNC2=C1C=C(C=C2)[N+]([O-])=O,CC1(C)CNC2=C1C=C(C=C2)[N+]([O-])=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-10(2)6-11-9-4-3-7(12(13)14)5-8(9)10/h3-5,11H,6H2,1-2H3",LXTLKHUVYJTEDP-UHFFFAOYSA-N,DTXCID30544947,Public_Low,-,-,-,23,1,-,-,-,-,-,-
6-(Morpholin-4-yl)pyridine-2-carbaldehyde,CASRN:857283-88-6,DTXSID20594496,O=CC1=NC(=CC=C1)N1CCOCC1,O=CC1=NC(=CC=C1)N1CCOCC1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-8-9-2-1-3-10(11-9)12-4-6-14-7-5-12/h1-3,8H,4-7H2",PWJWHXJUKOZOGB-UHFFFAOYSA-N,DTXCID50545259,Public_Low,-,-,-,40,1,-,-,-,-,-,-
2-(Pyrrolidin-1-yl)pyridine-4-carboxylic acid--water (1/1),CASRN:887922-89-6,DTXSID20594597,O.OC(=O)C1=CC(=NC=C1)N1CCCC1,OC(=O)C1=CC(=NC=C1)N1CCCC1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-10(14)8-3-4-11-9(7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,13,14)",PQLHQGBNMJTAEH-UHFFFAOYSA-N,DTXCID20375267,Public_Low,-,-,-,12,1,-,-,-,-,-,-
"Ethyl 1,3-dihydro-2H-pyrrolo[3,4-c]pyridine-2-carboxylate",CASRN:147740-04-3,DTXSID00596812,CCOC(=O)N1CC2=C(C1)C=NC=C2,CCOC(=O)N1CC2=C(C1)C=NC=C2,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-14-10(13)12-6-8-3-4-11-5-9(8)7-12/h3-5H,2,6-7H2,1H3",NXDYQBHSITTWJS-UHFFFAOYSA-N,DTXCID30547574,Public_Low,-,-,-,20,1,-,-,-,-,-,-
"Ethyl 5,7-dihydro-6H-pyrrolo[3,4-b]pyridine-6-carboxylate",CASRN:147740-01-0,DTXSID60596813,CCOC(=O)N1CC2=C(C1)N=CC=C2,CCOC(=O)N1CC2=C(C1)N=CC=C2,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-14-10(13)12-6-8-4-3-5-11-9(8)7-12/h3-5H,2,6-7H2,1H3",PCBKEVNPKSZQFU-UHFFFAOYSA-N,DTXCID90547575,Public_Low,-,-,-,20,1,-,-,-,-,-,-
4-(Hydroxymethyl)-1-phenylpyrazolidin-3-one,CASRN:30346-45-3,DTXSID10598948,OCC1CN(NC1=O)C1=CC=CC=C1,OCC1CN(NC1=O)C1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-7-8-6-12(11-10(8)14)9-4-2-1-3-5-9/h1-5,8,13H,6-7H2,(H,11,14)",KMXZBJKUSIYRPG-UHFFFAOYSA-N,DTXCID60864125,Public_Low,-,-,-,8,1,-,-,-,-,-,-
"2-Ethyl-3,4-dimethylpyrano[2,3-c]pyrazol-6(2H)-one",CASRN:88563-11-5,DTXSID90599453,CCN1N=C2OC(=O)C=C(C)C2=C1C,CCN1N=C2OC(=O)C=C(C)C2=C1C,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-4-12-7(3)9-6(2)5-8(13)14-10(9)11-12/h5H,4H2,1-3H3",XZVJTCWLKICDJN-UHFFFAOYSA-N,DTXCID00550212,Public_Low,-,-,-,11,2,-,-,-,-,-,-
(3-Hydroxypyridin-2-yl)(pyrrolidin-1-yl)methanone,CASRN:54126-88-4,DTXSID60601219,OC1=C(N=CC=C1)C(=O)N1CCCC1,OC1=C(N=CC=C1)C(=O)N1CCCC1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-8-4-3-5-11-9(8)10(14)12-6-1-2-7-12/h3-5,13H,1-2,6-7H2",RCIICYLNYDQSDG-UHFFFAOYSA-N,DTXCID50551976,Public_Low,-,-,-,12,1,-,-,-,-,-,-
5-Pyridin-3-ylproline,CASRN:3562-11-6,DTXSID70602358,OC(=O)C1CCC(N1)C1=CN=CC=C1,OC(=O)C1CCC(N1)C1=CN=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-10(14)9-4-3-8(12-9)7-2-1-5-11-6-7/h1-2,5-6,8-9,12H,3-4H2,(H,13,14)",XNFSAICMYCRAOX-UHFFFAOYSA-N,DTXCID00864902,Public_Low,-,-,-,12,1,-,-,-,-,-,-
2-(3-Nitrophenyl)pyrrolidine,CASRN:852281-23-3,DTXSID30602713,[O-][N+](=O)C1=CC=CC(=C1)C1CCCN1,[O-][N+](=O)C1=CC=CC(=C1)C1CCCN1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-12(14)9-4-1-3-8(7-9)10-5-2-6-11-10/h1,3-4,7,10-11H,2,5-6H2",GWKHUTICOQRERL-UHFFFAOYSA-N,DTXCID60864943,Public_Low,-,-,-,14,1,-,-,-,-,-,-
6-Methyl-2-[(prop-2-en-1-yl)amino]pyridine-3-carboxylic acid,CASRN:787506-78-9,DTXSID20608365,CC1=NC(NCC=C)=C(C=C1)C(O)=O,CC1=NC(NCC=C)=C(C=C1)C(O)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-3-6-11-9-8(10(13)14)5-4-7(2)12-9/h3-5H,1,6H2,2H3,(H,11,12)(H,13,14)",QEQPEPIKNQWRMW-UHFFFAOYSA-N,DTXCID80559122,Public_Low,-,-,-,12,1,-,-,-,-,-,-
"7-Amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid",CASRN:756803-94-8,DTXSID30618718,NC1=CC2=C(CC(NC2)C(O)=O)C=C1,NC1=CC=C2CC(NCC2=C1)C(O)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-8-2-1-6-4-9(10(13)14)12-5-7(6)3-8/h1-3,9,12H,4-5,11H2,(H,13,14)",HXXXNZYXVHOELA-UHFFFAOYSA-N,DTXCID70863003,Public_Low,-,-,-,15,1,-,-,-,-,-,-
"3,3-Dimethyl-6-nitro-2,3-dihydro-1H-indole",CASRN:179898-72-7,DTXSID90620817,CC1(C)CNC2=C1C=CC(=C2)[N+]([O-])=O,CC1(C)CNC2=C1C=CC(=C2)[N+]([O-])=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-10(2)6-11-9-5-7(12(13)14)3-4-8(9)10/h3-5,11H,6H2,1-2H3",OBRVKOVWGSBITQ-UHFFFAOYSA-N,DTXCID30571571,Public_Low,-,-,-,43,1,-,-,-,-,-,-
"8-Methoxy-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one",CASRN:36093-58-0,DTXSID00622281,COC1=CC2=C(NCCC(=O)N2)C=C1,COC1=CC2=C(NCCC(=O)N2)C=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-14-7-2-3-8-9(6-7)12-10(13)4-5-11-8/h2-3,6,11H,4-5H2,1H3,(H,12,13)",MWNNZUFSNDWUQO-UHFFFAOYSA-N,DTXCID30573035,Public_Low,-,-,-,28,1,-,-,-,-,-,-
"(5,6,7,8-Tetrahydro-1,8-naphthyridin-2-yl)acetic acid",CASRN:445490-61-9,DTXSID60626583,OC(=O)CC1=NC2=C(CCCN2)C=C1,OC(=O)CC1=NC2=C(CCCN2)C=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-9(14)6-8-4-3-7-2-1-5-11-10(7)12-8/h3-4H,1-2,5-6H2,(H,11,12)(H,13,14)",JBVUZBPRQFCHKU-UHFFFAOYSA-N,DTXCID30577336,Public_Low,-,-,-,47,2,-,-,-,-,-,-
"7-Nitro-1,2,3,4-tetrahydronaphthalen-2-amine--hydrogen chloride (1/1)",CASRN:175871-06-4,DTXSID60632700,Cl.NC1CCC2=C(C1)C=C(C=C2)[N+]([O-])=O,NC1CCC2=CC=C(C=C2C1)[N+]([O-])=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-9-3-1-7-2-4-10(12(13)14)6-8(7)5-9/h2,4,6,9H,1,3,5,11H2",MLQQVSKLPBROCW-UHFFFAOYSA-N,DTXCID60872043,Public_Low,-,-,-,22,1,-,-,-,-,-,-
"7-Nitro-1,2,3,4-tetrahydronaphthalen-2-amine",CASRN:101167-13-9,DTXSID20632701,NC1CCC2=C(C1)C=C(C=C2)[N+]([O-])=O,NC1CCC2=CC=C(C=C2C1)[N+]([O-])=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-9-3-1-7-2-4-10(12(13)14)6-8(7)5-9/h2,4,6,9H,1,3,5,11H2",MLQQVSKLPBROCW-UHFFFAOYSA-N,DTXCID60872043,Public_Low,-,-,-,27,1,-,-,-,-,-,-
6-(Pyrrolidin-1-yl)pyridine-2-carboxylic acid,CASRN:450368-20-4,DTXSID60634628,OC(=O)C1=NC(=CC=C1)N1CCCC1,OC(=O)C1=NC(=CC=C1)N1CCCC1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-10(14)8-4-3-5-9(11-8)12-6-1-2-7-12/h3-5H,1-2,6-7H2,(H,13,14)",HXPHLYQBFPDHNK-UHFFFAOYSA-N,DTXCID80585380,Public_Low,-,-,-,39,1,-,-,-,-,-,-
N-[4-(N-Hydroxyethanimidoyl)phenyl]acetamide,CASRN:56072-03-8,DTXSID60636026,CC(=O)NC1=CC=C(C=C1)C(C)=NO,CC(N=O)C1=CC=C(NC(C)=O)C=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7(12-14)9-3-5-10(6-4-9)11-8(2)13/h3-7H,1-2H3,(H,11,13)",DNQOUFVSKOCLCF-UHFFFAOYSA-N,DTXCID80872909,Public_Low,-,-,-,8,1,-,-,-,-,-,-
"5-(Dimethoxymethyl)-1H-pyrrolo[2,3-b]pyridine",CASRN:913983-17-2,DTXSID40640106,COC(OC)C1=CN=C2NC=CC2=C1,COC(OC)C1=CN=C2NC=CC2=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-13-10(14-2)8-5-7-3-4-11-9(7)12-6-8/h3-6,10H,1-2H3,(H,11,12)",ACLBNCNOVBNVSE-UHFFFAOYSA-N,DTXCID20590857,Public_Low,-,-,-,27,1,-,-,-,-,-,-
"6-(Dimethoxymethyl)-1H-pyrrolo[3,2-b]pyridine",CASRN:1015609-43-4,DTXSID70640154,COC(OC)C1=CC2=C(C=CN2)N=C1,COC(OC)C1=CC2=C(C=CN2)N=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-13-10(14-2)7-5-9-8(12-6-7)3-4-11-9/h3-6,10-11H,1-2H3",CMPMAKMKOVYMKM-UHFFFAOYSA-N,DTXCID90590905,Public_Low,-,-,-,21,1,-,-,-,-,-,-
5-(Pyrrolidin-1-yl)pyridine-2-carboxylic acid,CASRN:950603-19-7,DTXSID20640245,OC(=O)C1=NC=C(C=C1)N1CCCC1,OC(=O)C1=NC=C(C=C1)N1CCCC1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-10(14)9-4-3-8(7-11-9)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2,(H,13,14)",ACLFTMQROMOTLA-UHFFFAOYSA-N,DTXCID00590996,Public_Low,-,-,-,33,2,-,-,-,-,-,-
Ethyl 2-cyclopropylpyrimidine-5-carboxylate,CASRN:648423-77-2,DTXSID40647953,CCOC(=O)C1=CN=C(N=C1)C1CC1,CCOC(=O)C1=CN=C(N=C1)C1CC1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-14-10(13)8-5-11-9(12-6-8)7-3-4-7/h5-7H,2-4H2,1H3",YIOGULAORUQCBP-UHFFFAOYSA-N,DTXCID30598703,Public_Low,-,-,-,23,1,-,-,-,-,-,-
1-Pyridin-2-yl-L-proline,CASRN:223448-68-8,DTXSID00651172,OC(=O)[C@@H]1CCCN1C1=CC=CC=N1,OC(=O)C1CCCN1C1=CC=CC=N1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-10(14)8-4-3-7-12(8)9-5-1-2-6-11-9/h1-2,5-6,8H,3-4,7H2,(H,13,14)",GTIQLEDULSYILD-UHFFFAOYSA-N,DTXCID50882434,Public_Low,-,-,-,9,2,-,-,-,-,-,-
4-(3-Aminophenyl)morpholin-3-one,CASRN:1082495-22-4,DTXSID90651808,NC1=CC(=CC=C1)N1CCOCC1=O,NC1=CC(=CC=C1)N1CCOCC1=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-8-2-1-3-9(6-8)12-4-5-14-7-10(12)13/h1-3,6H,4-5,7,11H2",IABQKUMPNMOSKF-UHFFFAOYSA-N,DTXCID50602558,Public_Low,-,-,-,21,1,-,-,-,-,-,-
"2,5-Dimethylbenzene-1,4-dicarboxamide",CASRN:847974-06-5,DTXSID70652252,CC1=CC(C(N)=O)=C(C)C=C1C(N)=O,CC1=CC(C(N)=O)=C(C)C=C1C(N)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-5-3-8(10(12)14)6(2)4-7(5)9(11)13/h3-4H,1-2H3,(H2,11,13)(H2,12,14)",ORKLAWVQZCGGQB-UHFFFAOYSA-N,DTXCID70603002,Public_Low,-,-,-,10,1,-,-,-,-,-,-
"1-Ethyl-3,4-dimethylpyrano[2,3-c]pyrazol-6(1H)-one",CASRN:88549-98-8,DTXSID60658480,CCN1N=C(C)C2=C1OC(=O)C=C2C,CCN1N=C(C)C2=C1OC(=O)C=C2C,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-4-12-10-9(7(3)11-12)6(2)5-8(13)14-10/h5H,4H2,1-3H3",YSNFIWKRZYLBKW-UHFFFAOYSA-N,DTXCID50609229,Public_Low,-,-,-,7,2,-,-,-,-,-,-
"2-(3-Hydroxypropyl)-1,2-dihydro-3H-indazol-3-one",CASRN:89438-61-9,DTXSID40658569,OCCCN1NC2=CC=CC=C2C1=O,OCCCN1NC2=CC=CC=C2C1=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-7-3-6-12-10(14)8-4-1-2-5-9(8)11-12/h1-2,4-5,11,13H,3,6-7H2",HEFDTDAUQOACPX-UHFFFAOYSA-N,DTXCID80609318,Public_Low,-,-,-,10,3,-,-,-,-,-,-
"6-Amino-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid",CASRN:754963-56-9,DTXSID70666435,NC1=CC2=C(CNC(C2)C(O)=O)C=C1,NC1=CC=C2CNC(CC2=C1)C(O)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-8-2-1-6-5-12-9(10(13)14)4-7(6)3-8/h1-3,9,12H,4-5,11H2,(H,13,14)",ZWQXRXIJLDMLST-UHFFFAOYSA-N,DTXCID00886548,Public_Low,-,-,-,14,1,-,-,-,-,-,-
"4-(Dimethoxymethyl)-1H-pyrrolo[2,3-b]pyridine",CASRN:1186311-04-5,DTXSID60674069,COC(OC)C1=C2C=CNC2=NC=C1,COC(OC)C1=C2C=CNC2=NC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-13-10(14-2)8-4-6-12-9-7(8)3-5-11-9/h3-6,10H,1-2H3,(H,11,12)",DTEKUQUCTNGSRQ-UHFFFAOYSA-N,DTXCID70624818,Public_Low,-,-,-,18,1,-,-,-,-,-,-
1-(~2~H_3_)Methyl-5-(1-oxo-1lambda~5~-pyridin-3-yl)pyrrolidin-2-one,CASRN:1215561-37-7,DTXSID60675778,[2H]C([2H])([2H])N1C(CCC1=O)C1=C[N+]([O-])=CC=C1,CN1C(CCC1=O)C1=CN(=O)=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-11-9(4-5-10(11)13)8-3-2-6-12(14)7-8/h2-3,6-7,9H,4-5H2,1H3",CIPULDKLIIVIER-UHFFFAOYSA-N,DTXCID10888912,Public_Low,-,-,-,5,1,-,-,-,-,-,-
"8-Nitro-2,3,4,5-tetrahydro-1H-1-benzazepine",CASRN:17422-54-7,DTXSID20676928,[O-][N+](=O)C1=CC2=C(CCCCN2)C=C1,[O-][N+](=O)C1=CC2=C(CCCCN2)C=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-12(14)9-5-4-8-3-1-2-6-11-10(8)7-9/h4-5,7,11H,1-3,6H2",PVXOIYWWBOZBCJ-UHFFFAOYSA-N,DTXCID20627677,Public_Low,-,-,-,22,1,-,-,-,-,-,-
3-(3-Nitrophenyl)pyrrolidine,CASRN:1263279-39-5,DTXSID00677498,[O-][N+](=O)C1=CC=CC(=C1)C1CCNC1,[O-][N+](=O)C1=CC=CC(=C1)C1CCNC1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-12(14)10-3-1-2-8(6-10)9-4-5-11-7-9/h1-3,6,9,11H,4-5,7H2",BHQCMXVWCHNNAJ-UHFFFAOYSA-N,DTXCID60889494,Public_Low,-,-,-,9,1,-,-,-,-,-,-
1-(4-Aminophenyl)azetidine-3-carboxylic acid,CASRN:887595-85-9,DTXSID30695064,NC1=CC=C(C=C1)N1CC(C1)C(O)=O,NC1=CC=C(C=C1)N1CC(C1)C(O)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-8-1-3-9(4-2-8)12-5-7(6-12)10(13)14/h1-4,7H,5-6,11H2,(H,13,14)",JARYMOYIHDKMCS-UHFFFAOYSA-N,DTXCID40645813,Public_Low,-,-,-,16,1,-,-,-,-,-,-
2-Ethylcyclopropyl pyrimidine-5-carboxylate,CASRN:887408-31-3,DTXSID50695465,CCC1CC1OC(=O)C1=CN=CN=C1,CCC1CC1OC(=O)C1=CN=CN=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-7-3-9(7)14-10(13)8-4-11-6-12-5-8/h4-7,9H,2-3H2,1H3",AGXUJYIBRZPPMC-UHFFFAOYSA-N,DTXCID00982372,Public_Low,-,-,-,3,1,-,-,-,-,-,-
"3-(Aminomethyl)-6-methoxy-1,3-dihydro-2H-indol-2-one",CASRN:933747-35-4,DTXSID70696015,COC1=CC2=C(C=C1)C(CN)C(=O)N2,COC1=CC=C2C(CN)C(=O)NC2=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-14-6-2-3-7-8(5-11)10(13)12-9(7)4-6/h2-4,8H,5,11H2,1H3,(H,12,13)",FYRJGSONGTVQCX-UHFFFAOYSA-N,DTXCID90982548,Public_Low,-,-,-,7,1,-,-,-,-,-,-
Ethyl 3-(2-aminopyridin-3-yl)prop-2-enoate,CASRN:104830-01-5,DTXSID10696559,CCOC(=O)C=CC1=C(N)N=CC=C1,CCOC(=O)C=CC1=C(N)N=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-14-9(13)6-5-8-4-3-7-12-10(8)11/h3-7H,2H2,1H3,(H2,11,12)",NPDWGWHNSIAMNE-UHFFFAOYSA-N,DTXCID50647308,Public_Low,-,-,-,8,1,-,-,-,-,-,-
Ethyl 3-(4-aminopyridin-3-yl)prop-2-enoate,CASRN:104830-07-1,DTXSID40696562,CCOC(=O)C=CC1=C(N)C=CN=C1,CCOC(=O)C=CC1=C(N)C=CN=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-14-10(13)4-3-8-7-12-6-5-9(8)11/h3-7H,2H2,1H3,(H2,11,12)",LYGPATUMODNSAM-UHFFFAOYSA-N,DTXCID80647311,Public_Low,-,-,-,8,1,-,-,-,-,-,-
1-(4-Methoxyphenyl)aziridine-2-carboxamide,CASRN:933782-79-7,DTXSID30699567,COC1=CC=C(C=C1)N1CC1C(N)=O,COC1=CC=C(C=C1)N1CC1C(N)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-14-8-4-2-7(3-5-8)12-6-9(12)10(11)13/h2-5,9H,6H2,1H3,(H2,11,13)",JOSFIPKJEDAPKY-UHFFFAOYSA-N,DTXCID30983978,Public_Low,-,-,-,5,1,-,-,-,-,-,-
"5-[(Cyclohex-1-en-1-yl)methylidene]imidazolidine-2,4-dione",CASRN:184887-92-1,DTXSID90709792,O=C1NC(=O)C(N1)=CC1=CCCCC1,O=C1NC(=O)C(CC2=CCCCC2)=N1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h4H,1-3,5-6H2,(H,12,13,14)",FSESZCVZPDQMFO-UHFFFAOYSA-N,DTXCID101110912,Public_Low,-,-,-,6,1,-,-,-,-,-,-
"N,N-Dimethyl-2-(2-nitrophenyl)ethen-1-amine",CASRN:32991-03-0,DTXSID10711377,CN(C)C=CC1=CC=CC=C1[N+]([O-])=O,CN(C)C=CC1=CC=CC=C1[N+]([O-])=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-11(2)8-7-9-5-3-4-6-10(9)12(13)14/h3-8H,1-2H3",WPGQNNNGFHRGPT-UHFFFAOYSA-N,DTXCID60662123,Public_Low,-,-,-,7,1,-,-,-,-,-,-
"(3E,6E)-3-[(2E)-But-2-en-1-ylidene]-6-ethylidenepiperazine-2,5-dione",CASRN:51239-91-9,DTXSID80712533,C\\C=C\\C=C1\\NC(=O)\\C(NC1=O)=C/C,CCC1=NC(=O)C(CC=CC)=NC1=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-3-5-6-8-10(14)11-7(4-2)9(13)12-8/h3,5H,4,6H2,1-2H3",UNTGZLCAASPGCH-UHFFFAOYSA-N,DTXCID301111766,Public_Low,-,-,-,3,2,-,-,-,-,-,-
"Methyl 5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate--hydrogen chloride (1/1)",CASRN:1253792-57-2,DTXSID20718731,Cl.COC(=O)C1=CC2=C(CNCC2)N=C1,COC(=O)C1=CC2=C(CNCC2)N=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-14-10(13)8-4-7-2-3-11-6-9(7)12-5-8/h4-5,11H,2-3,6H2,1H3",RWKGYDMSJZUVNO-UHFFFAOYSA-N,DTXCID40669478,Public_Low,-,-,-,30,1,-,-,-,-,-,-
"Methyl 5,6,7,8-tetrahydro-1,7-naphthyridine-3-carboxylate",CASRN:1253888-80-0,DTXSID80718732,COC(=O)C1=CC2=C(CNCC2)N=C1,COC(=O)C1=CC2=C(CNCC2)N=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-14-10(13)8-4-7-2-3-11-6-9(7)12-5-8/h4-5,11H,2-3,6H2,1H3",RWKGYDMSJZUVNO-UHFFFAOYSA-N,DTXCID40669478,Public_Low,-,-,-,24,1,-,-,-,-,-,-
2-[(But-2-en-1-yl)amino]pyridine-3-carboxylic acid,CASRN:74611-54-4,DTXSID20724175,CC=CCNC1=C(C=CC=N1)C(O)=O,CC=CCNC1=C(C=CC=N1)C(O)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-3-6-11-9-8(10(13)14)5-4-7-12-9/h2-5,7H,6H2,1H3,(H,11,12)(H,13,14)",RKXMJHLPETXGQA-UHFFFAOYSA-N,DTXCID80674920,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"1-(6-Amino-2,3-dihydro-4H-1,4-benzoxazin-4-yl)ethan-1-one",CASRN:120711-97-9,DTXSID90725614,CC(=O)N1CCOC2=C1C=C(N)C=C2,CC(=O)N1CCOC2=C1C=C(N)C=C2,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7(13)12-4-5-14-10-3-2-8(11)6-9(10)12/h2-3,6H,4-5,11H2,1H3",YLCDUHZQBPGRFA-UHFFFAOYSA-N,DTXCID90676359,Public_Low,-,-,-,11,1,-,-,-,-,-,-
"Methyl 5,6,7,8-tetrahydro-1,7-naphthyridine-6-carboxylate--hydrogen chloride (1/1)",CASRN:920305-91-5,DTXSID10726087,Cl.COC(=O)C1CC2=C(CN1)N=CC=C2,COC(=O)C1CC2=CC=CN=C2CN1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-14-10(13)8-5-7-3-2-4-11-9(7)6-12-8/h2-4,8,12H,5-6H2,1H3",APVPRGUJMBWHCG-UHFFFAOYSA-N,DTXCID10996182,Public_Low,-,-,-,4,1,-,-,-,-,-,-
(3-Amino-2-hydroxyphenyl)(azetidin-1-yl)methanone,CASRN:464913-37-9,DTXSID20729807,NC1=CC=CC(C(=O)N2CCC2)=C1O,NC1=CC=CC(C(=O)N2CCC2)=C1O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-8-4-1-3-7(9(8)13)10(14)12-5-2-6-12/h1,3-4,13H,2,5-6,11H2",KTSWXOHGIQRKEX-UHFFFAOYSA-N,DTXCID30680551,Public_Low,-,-,-,16,1,-,-,-,-,-,-
N-(2-Acetylphenyl)-N'-methylurea,CASRN:67279-46-3,DTXSID40732191,CNC(=O)NC1=CC=CC=C1C(C)=O,CNC(=O)NC1=CC=CC=C1C(C)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7(13)8-5-3-4-6-9(8)12-10(14)11-2/h3-6H,1-2H3,(H2,11,12,14)",NMBIAXSMBQYWFI-UHFFFAOYSA-N,DTXCID90682935,Public_Low,-,-,-,8,1,-,-,-,-,-,-
Ethyl 3-amino-3-(pyridin-4-yl)prop-2-enoate,CASRN:70076-13-0,DTXSID00738331,CCOC(=O)C=C(N)C1=CC=NC=C1,CCOC(=O)CC(=N)C1=CC=NC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-14-10(13)7-9(11)8-3-5-12-6-4-8/h3-6,11H,2,7H2,1H3",GAQPYXRLGYTFJJ-UHFFFAOYSA-N,DTXCID001118282,Public_Low,-,-,-,5,1,-,-,-,-,-,-
"(3R)-3-(2-Hydroxyethyl)-3,4-dihydroquinoxalin-2(1H)-one",CASRN:714569-69-4,DTXSID00740914,OCC[C@H]1NC2=CC=CC=C2NC1=O,OCCC1NC2=CC=CC=C2NC1=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-6-5-9-10(14)12-8-4-2-1-3-7(8)11-9/h1-4,9,11,13H,5-6H2,(H,12,14)",DKYZVMRHGRTQAF-UHFFFAOYSA-N,DTXCID00840544,Public_Low,-,-,-,8,1,-,-,-,-,-,-
"2-{[(1,3-Benzoxazol-2-yl)methyl]amino}ethan-1-ol",CASRN:122320-77-8,DTXSID60740915,OCCNCC1=NC2=CC=CC=C2O1,OCCNCC1=NC2=CC=CC=C2O1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-6-5-11-7-10-12-8-3-1-2-4-9(8)14-10/h1-4,11,13H,5-7H2",FZQSIMHMEISXGR-UHFFFAOYSA-N,DTXCID00691659,Public_Low,-,-,-,8,1,-,-,-,-,-,-
"2-Methyl-5,6,7,8-tetrahydroquinazoline-6-carboxylic acid",CASRN:1368072-02-9,DTXSID60743183,CC1=NC=C2CC(CCC2=N1)C(O)=O,CC1=NC=C2CC(CCC2=N1)C(O)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-6-11-5-8-4-7(10(13)14)2-3-9(8)12-6/h5,7H,2-4H2,1H3,(H,13,14)",BBFOISKFAREOEF-UHFFFAOYSA-N,DTXCID00841354,Public_Low,-,-,-,14,1,-,-,-,-,-,-
"3,5-Diethoxypyridine-2-carbonitrile",CASRN:36057-52-0,DTXSID80743307,CCOC1=CC(OCC)=C(N=C1)C#N,CCOC1=CC(OCC)=C(N=C1)C#N,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-3-13-8-5-10(14-4-2)9(6-11)12-7-8/h5,7H,3-4H2,1-2H3",CNJQCTWLVXLABA-UHFFFAOYSA-N,DTXCID70694051,Public_Low,-,-,-,18,1,-,-,-,-,-,-
"6-(Aminomethyl)-4-methyl-2H-1,4-benzoxazin-3(4H)-one--hydrogen chloride (1/1)",CASRN:916211-08-0,DTXSID10745132,Cl.CN1C(=O)COC2=C1C=C(CN)C=C2,CN1C(=O)COC2=CC=C(CN)C=C12,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-12-8-4-7(5-11)2-3-9(8)14-6-10(12)13/h2-4H,5-6,11H2,1H3",FSQKKHDRRCAMMU-UHFFFAOYSA-N,DTXCID70841765,Public_Low,-,-,-,13,1,-,-,-,-,-,-
"Ethyl 1,8a-dihydroimidazo[1,2-a]pyridine-8-carboxylate",CASRN:1257849-24-3,DTXSID40745201,CCOC(=O)C1=CC=CN2C=CNC12,CCOC(=O)C1=CC=CN2CC=NC12,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-14-10(13)8-4-3-6-12-7-5-11-9(8)12/h3-6,9H,2,7H2,1H3",ZNASXIKDLOQYST-UHFFFAOYSA-N,DTXCID101120044,Public_Low,-,-,-,11,1,-,-,-,-,-,-
"5-Butyl-1-oxo-2,1lambda~5~,3-benzoxadiazole",CASRN:89223-13-2,DTXSID10752503,CCCCC1=CC2=NO[N+]([O-])=C2C=C1,CCCCC1=CC2=NO[N+]([O-])=C2C=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-3-4-8-5-6-10-9(7-8)11-14-12(10)13/h5-7H,2-4H2,1H3",FSDSUXQDIPPUAU-UHFFFAOYSA-N,DTXCID60703247,Public_Low,-,-,-,5,1,-,-,-,-,-,-
"7-Ethyl-3,4-dimethyl[1,2]oxazolo[5,4-b]pyridin-6(7H)-one",CASRN:89246-94-6,DTXSID90752708,CCN1C2=C(C(C)=NO2)C(C)=CC1=O,CCN1C2=C(C(C)=NO2)C(C)=CC1=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-4-12-8(13)5-6(2)9-7(3)11-14-10(9)12/h5H,4H2,1-3H3",QNRKRSCZYYCRFW-UHFFFAOYSA-N,DTXCID90703452,Public_Low,-,-,-,5,1,-,-,-,-,-,-
"6-Ethoxy-3,4-dimethyl[1,2]oxazolo[5,4-b]pyridine",CASRN:89247-02-9,DTXSID20752711,CCOC1=NC2=C(C(C)=NO2)C(C)=C1,CCOC1=NC2=C(C(C)=NO2)C(C)=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-4-13-8-5-6(2)9-7(3)12-14-10(9)11-8/h5H,4H2,1-3H3",PBEXFGRKAOMYGF-UHFFFAOYSA-N,DTXCID70703455,Public_Low,-,-,-,5,1,-,-,-,-,-,-
2-[2-(3-Methylphenyl)hydrazinylidene]propanoic acid,CASRN:89314-31-8,DTXSID00753120,CC(=NNC1=CC=CC(C)=C1)C(O)=O,CC(N=NC1=CC=CC(C)=C1)C(O)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7-4-3-5-9(6-7)12-11-8(2)10(13)14/h3-6,8H,1-2H3,(H,13,14)",WTTVOIIBGZTRJQ-UHFFFAOYSA-N,DTXCID701041048,Public_Low,-,-,-,5,1,-,-,-,-,-,-
N-[2-(N-Hydroxyethanimidoyl)phenyl]acetamide,CASRN:89331-43-1,DTXSID80753209,CC(=O)NC1=CC=CC=C1C(C)=NO,CC(N=O)C1=CC=CC=C1NC(C)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7(12-14)9-5-3-4-6-10(9)11-8(2)13/h3-7H,1-2H3,(H,11,13)",BYLIUCPGMWKXBW-UHFFFAOYSA-N,DTXCID70845561,Public_Low,-,-,-,5,1,-,-,-,-,-,-
"1-(2,3-Dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl)propan-1-one",CASRN:89970-24-1,DTXSID40756175,CCC(=O)N1CCOC2=C1N=CC=C2,CCC(=O)N1CCOC2=C1N=CC=C2,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-9(13)12-6-7-14-8-4-3-5-11-10(8)12/h3-5H,2,6-7H2,1H3",YQOJPJATFBYKPK-UHFFFAOYSA-N,DTXCID00706919,Public_Low,-,-,-,5,1,-,-,-,-,-,-
1-[4-(Aminomethyl)phenyl]-2-(hydroxyimino)propan-1-one,CASRN:90830-21-0,DTXSID10756763,CC(=NO)C(=O)C1=CC=C(CN)C=C1,CC(N=O)C(=O)C1=CC=C(CN)C=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7(12-14)10(13)9-4-2-8(6-11)3-5-9/h2-5,7H,6,11H2,1H3",DFUKYTZVBCBIKS-UHFFFAOYSA-N,DTXCID10847428,Public_Low,-,-,-,6,1,-,-,-,-,-,-
N-(1-Nitrobut-1-en-2-yl)aniline,CASRN:98294-09-8,DTXSID80760478,CCC(NC1=CC=CC=C1)=C[N+]([O-])=O,CCC(C[N+]([O-])=O)=NC1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-9(8-12(13)14)11-10-6-4-3-5-7-10/h3-7H,2,8H2,1H3",YIYKZGQFLQQPID-UHFFFAOYSA-N,DTXCID001290559,Public_Low,-,-,-,5,1,-,-,-,-,-,-
N'-[1-(4-Methoxyphenyl)ethylidene]formohydrazide,CASRN:113674-96-7,DTXSID50765278,COC1=CC=C(C=C1)C(C)=NNC=O,COC1=CC=C(C=C1)C(C)N=NC=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-8(12-11-7-13)9-3-5-10(14-2)6-4-9/h3-8H,1-2H3",QKQZULIRACFBBB-UHFFFAOYSA-N,DTXCID701042260,Public_Low,-,-,-,5,1,-,-,-,-,-,-
(2E)-2-[(2-Amino-5-methylphenyl)imino]propanoic acid,CASRN:131327-16-7,DTXSID40767963,C\\C(=N/C1=C(N)C=CC(C)=C1)C(O)=O,CC(=NC1=CC(C)=CC=C1N)C(O)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-6-3-4-8(11)9(5-6)12-7(2)10(13)14/h3-5H,11H2,1-2H3,(H,13,14)",JOUQNFMXZFEDSX-UHFFFAOYSA-N,DTXCID001042514,Public_Low,-,-,-,5,1,-,-,-,-,-,-
"2,3-Diisocyanato-7-methylbicyclo[2.2.1]heptane",CASRN:64340-65-4,DTXSID50794806,[H]C12CCC([H])(C1C)C(N=C=O)C2N=C=O,[H]C12CCC([H])(C1C)C(N=C=O)C2N=C=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-6-7-2-3-8(6)10(12-5-14)9(7)11-4-13/h6-10H,2-3H2,1H3",YLXKGIZZJOUCHP-UHFFFAOYSA-N,DTXCID20915369,Public_Low,-,-,-,4,1,-,-,-,-,-,-
Methyl (2-benzylhydrazinylidene)acetate,CASRN:60432-22-6,DTXSID10796962,COC(=O)C=NNCC1=CC=CC=C1,COC(=O)CN=NCC1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-14-10(13)8-12-11-7-9-5-3-2-4-6-9/h2-6H,7-8H2,1H3",ADOCXJFVSWDKGZ-UHFFFAOYSA-N,DTXCID701044785,Public_Low,-,-,-,4,1,-,-,-,-,-,-
N-(2-beta-Alanylphenyl)formamide,CASRN:60171-74-6,DTXSID10797035,NCCC(=O)C1=CC=CC=C1NC=O,NCCC(=O)C1=CC=CC=C1NC=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-6-5-10(14)8-3-1-2-4-9(8)12-7-13/h1-4,7H,5-6,11H2,(H,12,13)",PTKDPGNUQFJEHG-UHFFFAOYSA-N,DTXCID70747778,Public_Low,-,-,-,4,1,-,-,-,-,-,-
N'-Hydroxy-N-methyl-2-oxo-N-phenylpropanimidamide,CASRN:62918-80-3,DTXSID20804269,CN(C(=NO)C(C)=O)C1=CC=CC=C1,CN(C(N=O)C(C)=O)C1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-8(13)10(11-14)12(2)9-6-4-3-5-7-9/h3-7,10H,1-2H3",ZMQYFEHCJDJATJ-UHFFFAOYSA-N,DTXCID60920194,Public_Low,-,-,-,4,1,-,-,-,-,-,-
2-Methyl-N-(1-nitroprop-1-en-2-yl)aniline,CASRN:62874-98-0,DTXSID90804453,CC(NC1=CC=CC=C1C)=C[N+]([O-])=O,CC(C[N+]([O-])=O)=NC1=C(C)C=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-8-5-3-4-6-10(8)11-9(2)7-12(13)14/h3-6H,7H2,1-2H3",BCWFNZWCXHXMPD-UHFFFAOYSA-N,DTXCID601293218,Public_Low,-,-,-,4,1,-,-,-,-,-,-
4-Methyl-N-(1-nitroprop-1-en-2-yl)aniline,CASRN:62874-96-8,DTXSID10804455,CC(NC1=CC=C(C)C=C1)=C[N+]([O-])=O,CC(C[N+]([O-])=O)=NC1=CC=C(C)C=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-8-3-5-10(6-4-8)11-9(2)7-12(13)14/h3-6H,7H2,1-2H3",OQCKAYDTHCHXKK-UHFFFAOYSA-N,DTXCID601293220,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"3,3-Dimethyl-2-oxo-3,4-dihydrocinnolin-2-ium-1(2H)-olate",CASRN:62652-66-8,DTXSID50806433,CC1(C)CC2=CC=CC=C2N([O-])[N+]1=O,CC1(C)CC2=CC=CC=C2N([O-])[N+]1=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-10(2)7-8-5-3-4-6-9(8)11(13)12(10)14/h3-6H,7H2,1-2H3",ZBEQOTWUWQPFKN-UHFFFAOYSA-N,DTXCID30757176,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"1,1'-(3,6-Dimethylpyrazine-2,5-diyl)di(ethan-1-one)",CASRN:62025-68-7,DTXSID00812463,CC(=O)C1=NC(C)=C(N=C1C)C(C)=O,CC(=O)C1=NC(C)=C(N=C1C)C(C)=O,C10H12N2O2,192.0898776,InChI=1S/C10H12N2O2/c1-5-9(7(3)13)12-6(2)10(11-5)8(4)14/h1-4H3,LZSHTJIZUAMDHS-UHFFFAOYSA-N,DTXCID60763205,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"3-(2-Aminoethyl)-5-hydroxy-1,3-dihydro-2H-indol-2-one",CASRN:61238-28-6,DTXSID00819351,NCCC1C(=O)NC2=C1C=C(O)C=C2,NCCC1C(=O)NC2=CC=C(O)C=C12,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-4-3-7-8-5-6(13)1-2-9(8)12-10(7)14/h1-2,5,7,13H,3-4,11H2,(H,12,14)",ORPBRJLTADHZJD-UHFFFAOYSA-N,DTXCID90927999,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"1-Hydroxy-2,2-dimethyl-2,3-dihydroquinazolin-4(1H)-one",CASRN:61158-06-3,DTXSID90820219,CC1(C)NC(=O)C2=CC=CC=C2N1O,CC1(C)NC(=O)C2=CC=CC=C2N1O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-10(2)11-9(13)7-5-3-4-6-8(7)12(10)14/h3-6,14H,1-2H3,(H,11,13)",QJLJEFPXDZGYQE-UHFFFAOYSA-N,DTXCID30770961,Public_Low,-,-,-,4,1,-,-,-,-,-,-
2-(2-Phenylhydrazinylidene)butanoic acid,CASRN:70263-59-1,DTXSID30823360,CCC(=NNC1=CC=CC=C1)C(O)=O,CCC(N=NC1=CC=CC=C1)C(O)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-9(10(13)14)12-11-8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,13,14)",OAZPFMHDWHKVKC-UHFFFAOYSA-N,DTXCID801046889,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"N~1~,N~1~-Dimethyl-N~2~-phenylethanediamide",CASRN:73060-42-1,DTXSID50825149,CN(C)C(=O)C(=O)NC1=CC=CC=C1,CN(C)C(=O)C(=O)NC1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-12(2)10(14)9(13)11-8-6-4-3-5-7-8/h3-7H,1-2H3,(H,11,13)",FCOCVWMCFRRQQI-UHFFFAOYSA-N,DTXCID90775891,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"N-[2-(Hydroxyamino)-3,4-dihydronaphthalen-1(2H)-ylidene]hydroxylamine",CASRN:711-58-0,DTXSID20825535,ONC1CCC2=CC=CC=C2C1=NO,ONC1CCC2=CC=CC=C2C1N=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-11-9-6-5-7-3-1-2-4-8(7)10(9)12-14/h1-4,9-11,13H,5-6H2",UMFLGVSHFMBFLP-UHFFFAOYSA-N,DTXCID40931167,Public_Low,-,-,-,5,1,-,-,-,-,-,-
N-Benzyl-1-nitroprop-1-en-2-amine,CASRN:85290-52-4,DTXSID70826976,CC(NCC1=CC=CC=C1)=C[N+]([O-])=O,CC(C[N+]([O-])=O)=NCC1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-9(8-12(13)14)11-7-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3",KMIIBNCUHQQODU-UHFFFAOYSA-N,DTXCID101294685,Public_Low,-,-,-,4,1,-,-,-,-,-,-
N'-(Acetyloxy)-4-methylbenzene-1-carboximidamide,CASRN:88303-28-0,DTXSID00829112,CC(=O)ON=C(N)C1=CC=C(C)C=C1,CC(=O)ON=C(N)C1=CC=C(C)C=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7-3-5-9(6-4-7)10(11)12-14-8(2)13/h3-6H,1-2H3,(H2,11,12)",MOPLQUPUKUKTHG-UHFFFAOYSA-N,DTXCID90779854,Public_Low,-,-,-,6,1,-,-,-,-,-,-
N'-(Acetyloxy)-3-methylbenzene-1-carboximidamide,CASRN:88303-27-9,DTXSID60829113,CC(=O)ON=C(N)C1=CC=CC(C)=C1,CC(=O)ON=C(N)C1=CC=CC(C)=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7-4-3-5-9(6-7)10(11)12-14-8(2)13/h3-6H,1-2H3,(H2,11,12)",KAXRDCCFZOPLAA-UHFFFAOYSA-N,DTXCID50779855,Public_Low,-,-,-,5,1,-,-,-,-,-,-
N'-(Acetyloxy)-2-methylbenzene-1-carboximidamide,CASRN:88303-26-8,DTXSID20829114,CC(=O)ON=C(N)C1=CC=CC=C1C,CC(=O)ON=C(N)C1=CC=CC=C1C,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7-5-3-4-6-9(7)10(11)12-14-8(2)13/h3-6H,1-2H3,(H2,11,12)",ANHITSBDRIMEAM-UHFFFAOYSA-N,DTXCID10779856,Public_Low,-,-,-,5,1,-,-,-,-,-,-
3-Amino-1-(4-methoxyphenyl)azetidin-2-one,CASRN:87568-45-4,DTXSID70832138,COC1=CC=C(C=C1)N1CC(N)C1=O,COC1=CC=C(C=C1)N1CC(N)C1=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-14-8-4-2-7(3-5-8)12-6-9(11)10(12)13/h2-5,9H,6,11H2,1H3",VAPILKCZGUCBSA-UHFFFAOYSA-N,DTXCID20934676,Public_Low,-,-,-,6,1,-,-,-,-,-,-
"N-(2,3-Dihydro-1H-inden-2-yl)-N'-hydroxyurea",CASRN:919996-55-7,DTXSID30843381,ONC(=O)NC1CC2=CC=CC=C2C1,ONC(=O)NC1CC2=CC=CC=C2C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-10(12-14)11-9-5-7-3-1-2-4-8(7)6-9/h1-4,9,14H,5-6H2,(H2,11,12,13)",UKCFTGKLIAJIPX-UHFFFAOYSA-N,DTXCID90794123,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"1-(2-Methyl-5,6-dihydro-4H-[1,3]oxazolo[5,4-b]azepin-4-yl)ethan-1-one",CASRN:90238-01-0,DTXSID40848302,CC(=O)N1CCC=CC2=C1OC(C)=N2,CC(=O)N1CCC=CC2=C1OC(C)=N2,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7-11-9-5-3-4-6-12(8(2)13)10(9)14-7/h3,5H,4,6H2,1-2H3",JKSSMLCNXRLJTR-UHFFFAOYSA-N,DTXCID00799043,Public_Low,-,-,-,4,1,-,-,-,-,-,-
Methyl 3-(2-aminoanilino)prop-2-enoate,CASRN:59086-53-2,DTXSID80852009,COC(=O)C=CNC1=CC=CC=C1N,COC(=O)CC=NC1=CC=CC=C1N,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-14-10(13)6-7-12-9-5-3-2-4-8(9)11/h2-5,7H,6,11H2,1H3",YJBQODZXHOKNSB-UHFFFAOYSA-N,DTXCID501151328,Public_Low,-,-,-,3,1,-,-,-,-,-,-
"7-(Hydroxymethyl)-3-methyl-7,8-dihydrocinnolin-5(6H)-one",CASRN:924898-04-4,DTXSID50854030,CC1=CC2=C(CC(CO)CC2=O)N=N1,CC1=NN=C2CC(CO)CC(=O)C2=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-6-2-8-9(12-11-6)3-7(5-13)4-10(8)14/h2,7,13H,3-5H2,1H3",DGIYEDOARVPHNI-UHFFFAOYSA-N,DTXCID10907112,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"Methyl 1,2,3,4-tetrahydroquinoxaline-6-carboxylate",CASRN:90918-37-9,DTXSID70856536,COC(=O)C1=CC2=C(NCCN2)C=C1,COC(=O)C1=CC2=C(NCCN2)C=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-14-10(13)7-2-3-8-9(6-7)12-5-4-11-8/h2-3,6,11-12H,4-5H2,1H3",PIHCQPYCRVXZGU-UHFFFAOYSA-N,DTXCID40807277,Public_Low,-,-,-,17,1,-,-,-,-,-,-
4-[(E)-(Dimethylhydrazinylidene)methyl]benzoic acid--hydrogen chloride (1/1),CASRN:210963-78-3,DTXSID30856613,Cl.CN(C)\\N=C\\C1=CC=C(C=C1)C(O)=O,CN(C)N=CC1=CC=C(C=C1)C(O)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-12(2)11-7-8-3-5-9(6-4-8)10(13)14/h3-7H,1-2H3,(H,13,14)",IFFZFNUUKJLEST-UHFFFAOYSA-N,DTXCID00261578,Public_Low,-,-,-,5,1,-,-,-,-,-,-
trans-3'-Hydroxycotinine,CASRN:34834-67-8,DTXSID30873224,CN1[C@@H](C[C@@H](O)C1=O)C1=CN=CC=C1,CN1C(CC(O)C1=O)C1=CN=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3",XOKCJXZZNAUIQN-UHFFFAOYSA-N,DTXCID80839234,DSSTox_High,-,-,300,-,13,-,-,1,-,1,1
cis-3'-Hydroxycotinine,CASRN:37096-14-3,DTXSID30891867,CN1C(CC(O)C1=O)C1=CN=CC=C1,CN1C(CC(O)C1=O)C1=CN=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3",XOKCJXZZNAUIQN-UHFFFAOYSA-N,DTXCID80839234,Public_High,-,-,-,-,3,-,-,-,-,-,-
1-Methyl-5-(1-oxo-1lambda~5~-pyridin-3-yl)pyrrolidin-2-one,CASRN:36508-80-2,DTXSID10957814,CN1C(CCC1=O)C1=CN(=O)=CC=C1,CN1C(CCC1=O)C1=CN(=O)=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-11-9(4-5-10(11)13)8-3-2-6-12(14)7-8/h2-3,6-7,9H,4-5H2,1H3",CIPULDKLIIVIER-UHFFFAOYSA-N,DTXCID10888912,Public_Low,-,-,-,-,4,-,-,-,-,1,-
5-Phenyloxymethyl-2-amino-2-oxazoline,CASRN:32968-43-7,DTXSID20874088,N=C1NCC(COC2=CC=CC=C2)O1,N=C1NCC(COC2=CC=CC=C2)O1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-10-12-6-9(14-10)7-13-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,11,12)",GKBZNOMUALNVAB-UHFFFAOYSA-N,DTXCID801012222,Public_Low,-,-,-,-,4,-,-,-,-,-,-
B-NITRO-4-DIMETHYLAMINOSTYRENE,CASRN:2604-08-2,DTXSID20875954,CN(C)C1=CC=C(\\C=C\\N(=O)=O)C=C1,CN(C)C1=CC=C(C=C[N+]([O-])=O)C=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-11(2)10-5-3-9(4-6-10)7-8-12(13)14/h3-8H,1-2H3",RIXCESCQOUSSJX-UHFFFAOYSA-N,DTXCID301060719,Public_Low,-,-,-,-,4,-,-,-,-,-,-
"UREA, N-ETHYL-N'-BENZOYL-",CASRN:28615-21-6,DTXSID80875955,CCN=C(O)N=C(O)C1=CC=CC=C1,CCN=C(O)N=C(O)C1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-11-10(14)12-9(13)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H2,11,12,13,14)",ATSMGFRUVWTCRJ-UHFFFAOYSA-N,DTXCID901014071,Public_Low,-,-,-,-,3,-,-,-,-,-,-
"2-FURANCARBOXAMIDE, N-(3,6-DIHYDRO-1(2H)-PYRIDIN",CASRN:80431-14-7,DTXSID40875956,O=C(NN1CCC=CC1)C1=CC=CO1,O=C(NN1CCC=CC1)C1=CC=CO1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-10(9-5-4-8-14-9)11-12-6-2-1-3-7-12/h1-2,4-5,8H,3,6-7H2,(H,11,13)",VLBWOLHZEYFPCC-UHFFFAOYSA-N,DTXCID601014072,Public_Low,-,-,-,-,3,-,-,-,-,-,-
N-Methyl-N-(1-oxo-1-phenylpropan-2-yl)nitrous amide,CASRN:110505-04-9,DTXSID50911713,CC(N(C)N=O)C(=O)C1=CC=CC=C1,CC(N(C)N=O)C(=O)C1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-8(12(2)11-14)10(13)9-6-4-3-5-7-9/h3-8H,1-2H3",YHVACWACSOJLSJ-UHFFFAOYSA-N,DTXCID301340745,Public_Low,-,-,-,-,2,-,-,-,-,-,-
N-(6-Methoxypyridin-3-yl)cyclopropanecarboximidic acid,CASRN:112860-04-5,DTXSID10920922,COC1=NC=C(C=C1)N=C(O)C1CC1,COC1=NC=C(C=C1)N=C(O)C1CC1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-14-9-5-4-8(6-11-9)12-10(13)7-2-3-7/h4-7H,2-3H2,1H3,(H,12,13)",JPLCQHHISLYGRA-UHFFFAOYSA-N,DTXCID801349823,Public_Low,-,-,-,-,2,-,-,-,-,-,-
Ethyl hydrogen benzylidenecarbonohydrazonate,CASRN:16208-36-9,DTXSID00936638,CCOC(O)=NN=CC1=CC=CC=C1,CCOC(O)=NN=CC1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-14-10(13)12-11-8-9-6-4-3-5-7-9/h3-8H,2H2,1H3,(H,12,13)",FHPDVJQZJBNJCK-UHFFFAOYSA-N,DTXCID601365239,Public_Low,-,-,-,-,2,-,-,-,-,-,-
N-(6-Methylpyridin-2-yl)-3-oxobutanimidic acid,CASRN:16867-47-3,DTXSID70937516,CC(=O)CC(O)=NC1=CC=CC(C)=N1,CC(=O)CC(O)=NC1=CC=CC(C)=N1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7-4-3-5-9(11-7)12-10(14)6-8(2)13/h3-5H,6H2,1-2H3,(H,11,12,14)",RCUFPCZPNROCFP-UHFFFAOYSA-N,DTXCID701366078,Public_Low,-,-,-,-,2,-,-,-,-,-,-
N-(1-Hydroxy-1-iminopropan-2-yl)benzenecarboximidic acid,CASRN:24250-70-2,DTXSID10947078,CC(N=C(O)C1=CC=CC=C1)C(O)=N,CC(N=C(O)C1=CC=CC=C1)C(O)=N,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7(9(11)13)12-10(14)8-5-3-2-4-6-8/h2-7H,1H3,(H2,11,13)(H,12,14)",ZWDNWUISPPRMSS-UHFFFAOYSA-N,DTXCID201375345,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"N~1~,N~4~-Dimethylbenzene-1,4-dicarboxamide",CASRN:3236-55-3,DTXSID90954144,CNC(=O)C1=CC=C(C=C1)C(=O)NC,CNC(=O)C1=CC=C(C=C1)C(=O)NC,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-11-9(13)7-3-5-8(6-4-7)10(14)12-2/h3-6H,1-2H3,(H,11,13)(H,12,14)",VKYXUDRHHMRYIY-UHFFFAOYSA-N,DTXCID101382175,Public_Low,-,-,-,-,2,-,-,-,-,-,-
2-(3-Amino-2-hydroxypropoxy)benzonitrile--hydrogen chloride (1/1),CASRN:33825-81-9,DTXSID90955414,Cl.NCC(O)COC1=CC=CC=C1C#N,NCC(O)COC1=CC=CC=C1C#N,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-5-8-3-1-2-4-10(8)14-7-9(13)6-12/h1-4,9,13H,6-7,12H2",JFUBFTVIDOXELL-UHFFFAOYSA-N,DTXCID501454398,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"6-Amino-2-ethyl-2H-1,3-benzoxazin-4-ol",CASRN:35793-87-4,DTXSID10957177,CCC1OC2=C(C=C(N)C=C2)C(O)=N1,CCC1OC2=C(C=C(N)C=C2)C(O)=N1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-9-12-10(13)7-5-6(11)3-4-8(7)14-9/h3-5,9H,2,11H2,1H3,(H,12,13)",KFXTUQBOKKTTEP-UHFFFAOYSA-N,DTXCID501385121,Public_Low,-,-,-,-,3,-,-,-,-,-,-
3-(2-Amino-1-hydroxyethyl)-1H-indol-5-ol,CASRN:40979-78-0,DTXSID60961360,NCC(O)C1=CNC2=C1C=C(O)C=C2,NCC(O)C1=CNC2=C1C=C(O)C=C2,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-4-10(14)8-5-12-9-2-1-6(13)3-7(8)9/h1-3,5,10,12-14H,4,11H2",QVOWFHFJMYNTKY-UHFFFAOYSA-N,DTXCID301389189,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"3-(2-Aminoethyl)-1H-indole-6,7-diol",CASRN:50584-06-0,DTXSID40964793,NCCC1=CNC2=C1C=CC(O)=C2O,NCCC1=CNC2=C1C=CC(O)=C2O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-4-3-6-5-12-9-7(6)1-2-8(13)10(9)14/h1-2,5,12-14H,3-4,11H2",JPQILYNPNMIPHV-UHFFFAOYSA-N,DTXCID001392478,Public_Low,-,-,-,-,2,-,-,-,-,-,-
Ethyl 4-carbamimidoylbenzoate--hydrogen chloride (1/1),CASRN:5418-97-3,DTXSID50969138,Cl.CCOC(=O)C1=CC=C(C=C1)C(N)=N,CCOC(=O)C1=CC=C(C=C1)C(N)=N,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-14-10(13)8-5-3-7(4-6-8)9(11)12/h3-6H,2H2,1H3,(H3,11,12)",SEBINEYTXBJXOB-UHFFFAOYSA-N,DTXCID30226170,Public_Low,-,-,-,-,2,-,-,-,-,-,-
N-(2-Phenylethanimidoyl)glycine,CASRN:5472-39-9,DTXSID20970039,OC(=O)CNC(=N)CC1=CC=CC=C1,OC(=O)CNC(=N)CC1=CC=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c11-9(12-7-10(13)14)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,12)(H,13,14)",YDYSNTALSBKAPQ-UHFFFAOYSA-N,DTXCID501397578,Public_Low,-,-,-,-,2,-,-,-,-,-,-
N-[(2-Methoxyphenyl)methylidene]ethanehydrazonic acid,CASRN:59670-21-2,DTXSID10975073,COC1=CC=CC=C1C=NN=C(C)O,COC1=CC=CC=C1C=NN=C(C)O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-8(13)12-11-7-9-5-3-4-6-10(9)14-2/h3-7H,1-2H3,(H,12,13)",VQFJUIVYSFBGIF-UHFFFAOYSA-N,DTXCID601402483,Public_Low,-,-,-,-,2,-,-,-,-,-,-
N-[2-(Hydroxyimino)ethyl]-2-phenylethanimidic acid,CASRN:62972-89-8,DTXSID50978846,ON=CCN=C(O)CC1=CC=CC=C1,O\\C(CC1=CC=CC=C1)=N/CCN=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c13-10(11-6-7-12-14)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,11,13)",JTYFDQXJBZYVTP-UHFFFAOYSA-N,DTXCID901461066,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"N-(2,3-Dimethylphenyl)-2-(hydroxyimino)acetamide",CASRN:6579-44-8,DTXSID60984296,CC1=C(C)C(NC(=O)C=NO)=CC=C1,CC1=C(C)C(NC(=O)CN=O)=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-7-4-3-5-9(8(7)2)12-10(13)6-11-14/h3-5H,6H2,1-2H3,(H,12,13)",LLBOUALKORKHCE-UHFFFAOYSA-N,DTXCID201463261,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"N,N'-1,4-Phenylenebis(N-methylformamide)",CASRN:6632-40-2,DTXSID50984907,CN(C=O)C1=CC=C(C=C1)N(C)C=O,CN(C=O)C1=CC=C(C=C1)N(C)C=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-11(7-13)9-3-5-10(6-4-9)12(2)8-14/h3-8H,1-2H3",LVCDBHZOCHRHCQ-UHFFFAOYSA-N,DTXCID201412113,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"N~1~,N~3~-Dimethylbenzene-1,3-dicarboximidic acid",CASRN:6780-97-8,DTXSID70987137,CN=C(O)C1=CC(=CC=C1)C(O)=NC,CN=C(O)C1=CC(=CC=C1)C(O)=NC,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-11-9(13)7-4-3-5-8(6-7)10(14)12-2/h3-6H,1-2H3,(H,11,13)(H,12,14)",YGQILMMZHDXGHE-UHFFFAOYSA-N,DTXCID801414305,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"2-Amino-N-(3,4-dimethylphenyl)-2-oxoethanimidic acid",CASRN:68015-71-4,DTXSID90987437,CC1=CC=C(C=C1C)N=C(O)C(N)=O,CC1=CC=C(C=C1C)N=C(O)C(N)=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-6-3-4-8(5-7(6)2)12-10(14)9(11)13/h3-5H,1-2H3,(H2,11,13)(H,12,14)",HFVFLGBFEJXVKD-UHFFFAOYSA-N,DTXCID301414598,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"1,3-Di(prop-2-en-1-yl)pyrimidine-2,4(1H,3H)-dione",CASRN:6892-10-0,DTXSID30988625,C=CCN1C=CC(=O)N(CC=C)C1=O,C=CCN1C=CC(=O)N(CC=C)C1=O,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-3-6-11-8-5-9(13)12(7-4-2)10(11)14/h3-5,8H,1-2,6-7H2",RDFAAIUDYVIXJT-UHFFFAOYSA-N,DTXCID001415761,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"5-(Pyridin-3-yl)-6,8-dioxa-3-azabicyclo[3.2.1]octane--hydrogen chloride (1/2)",CASRN:84509-40-0,DTXSID001004792,Cl.Cl.C1OC2(CNCC1O2)C1=CN=CC=C1,C1OC2(CNCC1O2)C1=CN=CC=C1,C10H12N2O2,192.0898776,"InChI=1S/C10H12N2O2/c1-2-8(4-11-3-1)10-7-12-5-9(14-10)6-13-10/h1-4,9,12H,5-7H2",HPHTWLVECJQIFO-UHFFFAOYSA-N,DTXCID101469961,Public_Low,-,-,-,-,2,-,-,-,-,-,-
Ethylbenzene,CASRN:100-41-4,DTXSID3020596,CCC1=CC=CC=C1,CCC1=CC=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",YNQLUTRBYVCPMQ-UHFFFAOYSA-N,DTXCID10596,DSSTox_High,0.0000832,0.473933649,686,178,135,195,1,1,1,-,1
m-Xylene,CASRN:108-38-3,DTXSID6026298,CC1=CC(C)=CC=C1,CC1=CC(C)=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3",IVSZLXZYQVIEFR-UHFFFAOYSA-N,DTXCID501446,DSSTox_High,0.0000548,2.255639098,177,133,120,8,1,1,1,-,1
o-Xylene,CASRN:95-47-6,DTXSID3021807,CC1=C(C)C=CC=C1,CC1=C(C)C=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3",CTQNGGLPUBDAKN-UHFFFAOYSA-N,DTXCID501807,DSSTox_High,0.000067,1.604278075,139,346,126,9,1,1,1,-,1
p-Xylene,CASRN:106-42-3,DTXSID2021868,CC1=CC=C(C)C=C1,CC1=CC=C(C)C=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3",URLKBWYHVLBVBO-UHFFFAOYSA-N,DTXCID701868,DSSTox_High,0.0000921,0,183,133,114,22,1,1,1,-,1
"1,7-Octadiyne",CASRN:871-84-1,DTXSID1061233,C#CCCCCC#C,C#CCCCCC#C,C8H10,106.0782503,"InChI=1S/C8H10/c1-3-5-7-8-6-4-2/h1-2H,5-8H2",DSOJWVLXZNRKCS-UHFFFAOYSA-N,DTXCID9048566,Public_High,-,-,-,63,19,-,-,1,1,-,1
"Cyclohexene, 1-ethynyl-",CASRN:931-49-7,DTXSID5073244,C#CC1=CCCCC1,C#CC1=CCCCC1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h1,6H,3-5,7H2",DKFHWNGVMWFBJE-UHFFFAOYSA-N,DTXCID9048855,Public_High,-,-,2,57,16,-,-,-,1,-,1
"Tricyclo(4.1.1.07,8)oct-3-ene",CASRN:102575-25-7,DTXSID10145279,C1C=CCC2C3C1C23,C1C=CCC2C3C1C23,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-4-6-7-5(3-1)8(6)7/h1-2,5-8H,3-4H2",YVOQUDKKWLTNAV-UHFFFAOYSA-N,DTXCID9067770,Public_Medium,-,-,-,12,4,-,-,-,-,-,-
"Spiro(3.4)octa-5,7-diene",CASRN:15439-15-3,DTXSID50165618,C1CC2(C1)C=CC=C2,C1CC2(C1)C=CC=C2,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-5-8(4-1)6-3-7-8/h1-2,4-5H,3,6-7H2",QVMNXSRTYQKXEY-UHFFFAOYSA-N,DTXCID2088109,Public_Medium,-,-,-,12,3,-,-,-,-,-,-
"3,5-Octadiyne",CASRN:16387-70-5,DTXSID90167671,CCC#CC#CCC,CCC#CC#CCC,C8H10,106.0782503,"InChI=1S/C8H10/c1-3-5-7-8-6-4-2/h3-4H2,1-2H3",LILZEAJBVQOINI-UHFFFAOYSA-N,DTXCID6090162,Public_Medium,-,-,-,28,5,-,-,-,-,-,-
"Ethyl, 2-phenyl-",CASRN:17203-53-1,DTXSID00169202,[CH2]CC1=CC=CC=C1,CCC1=CC=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",YNQLUTRBYVCPMQ-UHFFFAOYSA-N,DTXCID10596,Public_Medium,-,-,-,89,3,-,-,-,-,-,-
"1,3-Cyclopentadiene, 5-(1-methylethylidene)-",CASRN:2175-91-9,DTXSID10176149,CC(C)=C1C=CC=C1,CC(C)=C1C=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7(2)8-5-3-4-6-8/h3-6H,1-2H3",WXACXMWYHXOSIX-UHFFFAOYSA-N,DTXCID9098640,Public_Medium,-,-,-,54,8,-,-,1,-,-,-
3-Methylbenzyl radical,CASRN:2348-47-2,DTXSID50178041,[CH2]C1=CC=CC(C)=C1,CC1=CC(C)=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3",IVSZLXZYQVIEFR-UHFFFAOYSA-N,DTXCID501446,Public_Medium,-,-,-,22,3,-,-,-,-,-,-
2-Methylbenzyl radical,CASRN:2348-48-3,DTXSID10178042,[CH2]C1=CC=CC=C1C,CC1=C(C)C=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3",CTQNGGLPUBDAKN-UHFFFAOYSA-N,DTXCID501807,Public_Medium,-,-,-,36,3,-,-,-,-,-,-
1-Phenylethyl radical,CASRN:2348-51-8,DTXSID30178044,C[CH]C1=CC=CC=C1,CCC1=CC=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",YNQLUTRBYVCPMQ-UHFFFAOYSA-N,DTXCID10596,Public_Medium,-,-,-,42,3,-,-,-,-,-,-
4-Methylbenzyl radical,CASRN:2348-52-9,DTXSID90178045,[CH2]C1=CC=C(C)C=C1,CC1=CC=C(C)C=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3",URLKBWYHVLBVBO-UHFFFAOYSA-N,DTXCID701868,Public_Medium,-,-,-,24,3,-,-,-,-,-,-
"(alpha,alpha,alpha,alpha',alpha',alpha'-2H6)p-Xylene",CASRN:25493-13-4,DTXSID10180180,[2H]C([2H])([2H])C1=CC=C(C=C1)C([2H])([2H])[2H],CC1=CC=C(C)C=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3",URLKBWYHVLBVBO-UHFFFAOYSA-N,DTXCID701868,Public_Medium,-,-,-,22,5,-,-,-,1,-,1
"2,3-Divinylbutadiene",CASRN:3642-21-5,DTXSID20189947,C=CC(=C)C(=C)C=C,C=CC(=C)C(=C)C=C,C8H10,106.0782503,"InChI=1S/C8H10/c1-5-7(3)8(4)6-2/h5-6H,1-4H2",DMCINEDFOKMBFI-UHFFFAOYSA-N,DTXCID80112438,Public_Medium,-,-,-,14,3,-,-,-,-,-,-
"Hexa-1,5-diene-3-yne, 2,5-dimethyl-",CASRN:3725-05-1,DTXSID50190723,CC(=C)C#CC(C)=C,CC(=C)C#CC(C)=C,C8H10,106.0782503,"InChI=1S/C8H10/c1-7(2)5-6-8(3)4/h1,3H2,2,4H3",QZXJPGFNLZJNAR-UHFFFAOYSA-N,DTXCID90113214,Public_Medium,-,-,-,14,3,-,-,-,-,-,-
"5-Methylspiro(2.4)hepta-4,6-diene",CASRN:4087-51-8,DTXSID90193839,CC1=CC2(CC2)C=C1,CC1=CC2(CC2)C=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-2-3-8(6-7)4-5-8/h2-3,6H,4-5H2,1H3",TXKUDWJFBZEZIM-UHFFFAOYSA-N,DTXCID80116330,Public_Medium,-,-,-,9,3,-,-,-,-,-,-
(2H10)-p-Xylene,CASRN:41051-88-1,DTXSID70194021,[2H]C1=C([2H])C(=C([2H])C([2H])=C1C([2H])([2H])[2H])C([2H])([2H])[2H],CC1=CC=C(C)C=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3",URLKBWYHVLBVBO-UHFFFAOYSA-N,DTXCID701868,Public_Medium,-,-,-,26,9,-,-,-,1,-,1
"Bicyclo(3.3.0)octa-2,7-diene",CASRN:41164-14-1,DTXSID40194098,C1C=CC2C=CCC12,C1C=CC2C=CCC12,C8H10,106.0782503,"InChI=1S/C8H10/c1-3-7-5-2-6-8(7)4-1/h1-3,5,7-8H,4,6H2",KWMNZJNIAZZNSJ-UHFFFAOYSA-N,DTXCID50116589,Public_Medium,-,-,-,14,3,-,-,-,-,-,-
"Bicyclo(4.2.0)octa-1,5-diene",CASRN:42206-10-0,DTXSID50195036,C1CC2=CCCC=C12,C1CC2=CCCC=C12,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-4-8-6-5-7(8)3-1/h3-4H,1-2,5-6H2",LKVVIADCTAYVMJ-UHFFFAOYSA-N,DTXCID60117527,Public_Medium,-,-,-,11,3,-,-,-,-,-,-
"1,2-Divinylcyclobutene",CASRN:42206-11-1,DTXSID10195037,C=CC1=C(CC1)C=C,C=CC1=C(CC1)C=C,C8H10,106.0782503,"InChI=1S/C8H10/c1-3-7-5-6-8(7)4-2/h3-4H,1-2,5-6H2",JFGIMFIUFRAQNR-UHFFFAOYSA-N,DTXCID20117528,Public_Medium,-,-,-,10,3,-,-,-,-,-,-
7-Methylcycloheptatriene,CASRN:4281-04-3,DTXSID10195491,CC1C=CC=CC=C1,CC1C=CC=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-8-6-4-2-3-5-7-8/h2-8H,1H3",OQWAEQHNVGGBHL-UHFFFAOYSA-N,DTXCID20117982,Public_Medium,-,-,-,15,5,-,-,-,-,-,-
"Bicyclo(2.2.2)octa-2,5-diene",CASRN:500-23-2,DTXSID20198170,[H]C12CCC([H])(C=C1)C=C2,[H]C12CCC([H])(C=C1)C=C2,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-8-5-3-7(1)4-6-8/h1-3,5,7-8H,4,6H2",PPABCIZFQNHUIH-UHFFFAOYSA-N,DTXCID50120661,Public_Medium,-,-,-,24,3,-,-,-,-,-,-
"Spiro(2.5)octa-4,6-diene",CASRN:53143-64-9,DTXSID90201226,C1CC11CC=CC=C1,C1CC11CC=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-4-8(5-3-1)6-7-8/h1-4H,5-7H2",LNHLZGKIMCRSGT-UHFFFAOYSA-N,DTXCID90123717,Public_Medium,-,-,-,9,3,-,-,-,-,-,-
"Cyclohexene, 4,5-bis(methylene)-",CASRN:54290-41-4,DTXSID90202652,C=C1CC=CCC1=C,C=C1CC=CCC1=C,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-4H,1-2,5-6H2",AYDXFMFJWWTQQK-UHFFFAOYSA-N,DTXCID20125143,Public_Medium,-,-,-,13,6,-,-,-,-,-,-
(2H10)-o-Xylene,CASRN:56004-61-6,DTXSID50204576,[2H]C1=C([2H])C([2H])=C(C(=C1[2H])C([2H])([2H])[2H])C([2H])([2H])[2H],CC1=C(C)C=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3",CTQNGGLPUBDAKN-UHFFFAOYSA-N,DTXCID501807,Public_Medium,-,-,-,23,8,-,-,-,1,-,1
"Bicyclo(4.1.1)octa-2,4-diene",CASRN:61885-53-8,DTXSID30210872,[H]C12CC([H])(C1)C=CC=C2,[H]C12CC([H])(C1)C=CC=C2,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-4-8-5-7(3-1)6-8/h1-4,7-8H,5-6H2",MHOPACSTYPMMDB-UHFFFAOYSA-N,DTXCID60133363,Public_Medium,-,-,-,11,3,-,-,-,-,-,-
"1,5-Dimethyl-3-exo-methylenetricyclo(2.1.0.0)pentane",CASRN:63001-13-8,DTXSID40212221,CC12C3C(=C)C1C23C,CC12C3C(=C)C1C23C,C8H10,106.0782503,"InChI=1S/C8H10/c1-4-5-7(2)6(4)8(5,7)3/h5-6H,1H2,2-3H3",ZPKBOCGRHVGICS-UHFFFAOYSA-N,DTXCID40134712,Public_Medium,-,-,-,9,3,-,-,-,-,-,-
"4-Methylspiro(2.4)hepta-4,6-diene",CASRN:67487-86-9,DTXSID70217840,CC1=CC=CC11CC1,CC1=CC=CC11CC1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-3-2-4-8(7)5-6-8/h2-4H,5-6H2,1H3",TYRKZHXFLRLILE-UHFFFAOYSA-N,DTXCID20140331,Public_Medium,-,-,-,6,3,-,-,-,-,-,-
"2,6-Octadiyne",CASRN:764-73-8,DTXSID60227231,CC#CCCC#CC,CC#CCCC#CC,C8H10,106.0782503,"InChI=1S/C8H10/c1-3-5-7-8-6-4-2/h7-8H2,1-2H3",PHNFSGFUJPBCLS-UHFFFAOYSA-N,DTXCID60149722,Public_Medium,-,-,-,28,4,-,-,-,-,-,-
7-methylidenebicyclo[2.2.1]hept-2-ene,CASRN:694-69-9,DTXSID70276371,[H]C12CCC([H])(C=C1)C2=C,[H]C12CCC([H])(C=C1)C2=C,C8H10,106.0782503,"InChI=1S/C8H10/c1-6-7-2-3-8(6)5-4-7/h2-3,7-8H,1,4-5H2",WOGPFDVPMQIJBO-UHFFFAOYSA-N,DTXCID70876537,Public_Low,-,-,-,8,2,-,-,-,-,-,-
"7-Methylbicyclo[2.2.1]hepta-2,5-diene",CASRN:13437-93-9,DTXSID30330443,[H]C12C=CC([H])(C=C1)C2C,[H]C12C=CC([H])(C=C1)C2C,C8H10,106.0782503,"InChI=1S/C8H10/c1-6-7-2-3-8(6)5-4-7/h2-8H,1H3",NBLVLRDMPCLXMY-UHFFFAOYSA-N,DTXCID40281538,Public_Low,-,-,-,13,2,-,-,-,-,-,-
"2,4-Octadiyne",CASRN:2809-71-4,DTXSID50340084,CCCC#CC#CC,CCCC#CC#CC,C8H10,106.0782503,"InChI=1S/C8H10/c1-3-5-7-8-6-4-2/h3,5H2,1-2H3",PIZXMNCZFYAWIP-UHFFFAOYSA-N,DTXCID70291165,Public_Low,-,-,-,13,2,-,-,-,-,-,-
"Zinc, bis(2-phenylethyl)-",CASRN:74685-32-8,DTXSID30341135,[Zn++].[CH2-]CC1=CC=CC=C1.[CH2-]CC1=CC=CC=C1,CCC1=CC=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",YNQLUTRBYVCPMQ-UHFFFAOYSA-N,DTXCID10596,Public_Low,-,-,-,8,3,-,-,1,-,-,-
4-Methylbenzylzinc chloride solution,CASRN:312693-21-3,DTXSID00399441,Cl[Zn+].CC1=CC=C([CH2-])C=C1,CC1=CC=C(C)C=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3",URLKBWYHVLBVBO-UHFFFAOYSA-N,DTXCID701868,Public_Low,-,-,-,-,1,-,-,-,-,-,-
2-Methylbenzylzinc chloride solution,CASRN:312693-19-9,DTXSID00401679,Cl[Zn+].CC1=CC=CC=C1[CH2-],CC1=C(C)C=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3",CTQNGGLPUBDAKN-UHFFFAOYSA-N,DTXCID501807,Public_Low,-,-,-,-,1,-,-,-,-,-,-
Bromozinc(1+) 1-phenylethan-1-ide,CASRN:85459-20-7,DTXSID80403934,[Zn+]Br.C[CH-]C1=CC=CC=C1,CCC1=CC=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",YNQLUTRBYVCPMQ-UHFFFAOYSA-N,DTXCID10596,Public_Low,-,-,-,8,1,-,-,-,-,-,-
Phenethylmagnesium chloride solution,CASRN:90878-19-6,DTXSID60405416,[Mg++].[Cl-].[CH2-]CC1=CC=CC=C1,CCC1=CC=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",YNQLUTRBYVCPMQ-UHFFFAOYSA-N,DTXCID10596,Public_Low,-,-,-,8,1,-,-,-,-,-,-
3-Methylbenzylzinc chloride solution,CASRN:312693-20-2,DTXSID50409302,Cl[Zn+].CC1=CC([CH2-])=CC=C1,CC1=CC(C)=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3",IVSZLXZYQVIEFR-UHFFFAOYSA-N,DTXCID501446,Public_Low,-,-,-,-,1,-,-,-,-,-,-
Phenethylzinc bromide solution,CASRN:308796-14-7,DTXSID70410536,[Zn+]Br.[CH2-]CC1=CC=CC=C1,CCC1=CC=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",YNQLUTRBYVCPMQ-UHFFFAOYSA-N,DTXCID10596,Public_Low,-,-,-,9,1,-,-,-,-,-,-
Octadiyne,CASRN:76187-86-5,DTXSID00423811,CCCCC#CC#C,CCCCC#CC#C,C8H10,106.0782503,"InChI=1S/C8H10/c1-3-5-7-8-6-4-2/h1H,4,6,8H2,2H3",ATBIPMKXEODDBH-UHFFFAOYSA-N,DTXCID70374649,Public_Low,-,-,-,17,1,-,-,-,-,-,-
Magnesium bromide 2-phenylethan-1-ide (1/1/1),CASRN:3277-89-2,DTXSID00446444,[Mg++].[Br-].[CH2-]CC1=CC=CC=C1,CCC1=CC=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",YNQLUTRBYVCPMQ-UHFFFAOYSA-N,DTXCID10596,Public_Low,-,-,-,5,1,-,-,-,-,-,-
AGN-PC-0NER0I,CASRN:12203-31-5,DTXSID80452669,[Cr].[C-]#[O+].[C-]#[O+].[C-]#[O+].CCC1=CC=CC=C1,CCC1=CC=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",YNQLUTRBYVCPMQ-UHFFFAOYSA-N,DTXCID10596,Public_Low,-,-,-,9,1,-,-,-,-,-,-
"Cyclobutene, dimethylbis(methylene)-",CASRN:25467-12-3,DTXSID40456446,CC1=C(C)C(=C)C1=C,CC1=C(C)C(=C)C1=C,C8H10,106.0782503,"InChI=1S/C8H10/c1-5-6(2)8(4)7(5)3/h1-2H2,3-4H3",SGBBSINDWMTKGW-UHFFFAOYSA-N,DTXCID30407265,Public_Low,-,-,-,11,1,-,-,-,-,-,-
Magnesium chloride (4-methylphenyl)methanide (1/1/1),CASRN:29875-07-8,DTXSID50461541,[Mg++].[Cl-].CC1=CC=C([CH2-])C=C1,CC1=CC=C(C)C=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3",URLKBWYHVLBVBO-UHFFFAOYSA-N,DTXCID701868,Public_Low,-,-,-,-,1,-,-,-,-,-,-
beta-propenylcyclopentadiene,CASRN:29063-07-8,DTXSID20463234,C=CCC1=CC=CC1,C=CCC1=CC=CC1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-5-8-6-3-4-7-8/h2-4,6H,1,5,7H2",DKIUYAAMKFJPGB-UHFFFAOYSA-N,DTXCID10414053,Public_Low,-,-,-,12,2,-,-,-,-,-,-
"Magnesium, bromo[(2-methylphenyl)methyl]-",CASRN:56812-61-4,DTXSID20463719,[Mg++].[Br-].CC1=CC=CC=C1[CH2-],CC1=C(C)C=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3",CTQNGGLPUBDAKN-UHFFFAOYSA-N,DTXCID501807,Public_Low,-,-,-,-,1,-,-,-,-,-,-
"Ethyl-1,1-d2-benzene",CASRN:1861-01-4,DTXSID60469331,[2H]C([2H])(C)C1=CC=CC=C1,CCC1=CC=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",YNQLUTRBYVCPMQ-UHFFFAOYSA-N,DTXCID10596,Public_Low,-,-,-,9,1,-,-,-,-,-,-
"Magnesium, bromo[(4-methylphenyl)methyl]-",CASRN:89980-67-6,DTXSID00472687,[Mg++].[Br-].CC1=CC=C([CH2-])C=C1,CC1=CC=C(C)C=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3",URLKBWYHVLBVBO-UHFFFAOYSA-N,DTXCID701868,Public_Low,-,-,-,-,1,-,-,-,-,-,-
"Cyclopropane, 1,1'-(1,2-ethynediyl)bis-",CASRN:27998-49-8,DTXSID70473404,C1CC1C#CC1CC1,C1CC1C#CC1CC1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-7(1)5-6-8-3-4-8/h7-8H,1-4H2",BMGNRHCFIPQPPS-UHFFFAOYSA-N,DTXCID10424218,Public_Low,-,-,-,10,1,-,-,-,-,-,-
"Pentalene, 1,2,3,3a-tetrahydro-",CASRN:61771-82-2,DTXSID00475259,C1CC2C=CC=C2C1,C1CC2C=CC=C2C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-3-7-5-2-6-8(7)4-1/h1,3-4,7H,2,5-6H2",ABIPLJQFLRXYES-UHFFFAOYSA-N,DTXCID001008263,Public_Low,-,-,-,10,1,-,-,-,-,-,-
"1,2-Dimethylbenzene-3,4,5,6-d4",CASRN:62367-40-2,DTXSID20480401,[2H]C1=C([2H])C([2H])=C(C)C(C)=C1[2H],CC1=C(C)C=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3",CTQNGGLPUBDAKN-UHFFFAOYSA-N,DTXCID501807,Public_Low,-,-,-,7,1,-,-,-,-,-,-
"1,2-Dimethyl-13C2-benzene",CASRN:116599-62-3,DTXSID80480402,[13CH3]C1=CC=CC=C1[13CH3],CC1=C(C)C=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3",CTQNGGLPUBDAKN-UHFFFAOYSA-N,DTXCID501807,Public_Low,-,-,-,7,1,-,-,-,-,-,-
m-Xylene-d10,CASRN:116601-58-2,DTXSID40480403,[2H]C1=C([2H])C(=C([2H])C(=C1[2H])C([2H])([2H])[2H])C([2H])([2H])[2H],CC1=CC(C)=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3",IVSZLXZYQVIEFR-UHFFFAOYSA-N,DTXCID501446,Public_Low,-,-,-,10,1,-,-,-,-,-,-
"1-Methylcyclohepta-1,3,5-triene",CASRN:27324-83-0,DTXSID40480802,CC1=CC=CC=CC1,CC1=CC=CC=CC1,C8H10,106.0782503,"InChI=1S/C8H10/c1-8-6-4-2-3-5-7-8/h2-6H,7H2,1H3",QMRIOEQPJDFOPT-UHFFFAOYSA-N,DTXCID40431612,Public_Low,-,-,-,10,1,-,-,-,-,-,-
Sodium 1-phenylethan-1-ide,CASRN:29706-16-9,DTXSID10497982,[Na+].C[CH-]C1=CC=CC=C1,CCC1=CC=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",YNQLUTRBYVCPMQ-UHFFFAOYSA-N,DTXCID10596,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"2-Methylhepta-1,6-dien-3-yne",CASRN:1001-88-3,DTXSID20499134,CC(=C)C#CCC=C,CC(=C)C#CCC=C,C8H10,106.0782503,"InChI=1S/C8H10/c1-4-5-6-7-8(2)3/h4H,1-2,5H2,3H3",JDSRPIAZFIFPGF-UHFFFAOYSA-N,DTXCID90449944,Public_Low,-,-,-,5,1,-,-,-,-,-,-
"2-Ethenylcyclohexa-1,3-diene",CASRN:62939-61-1,DTXSID30506368,C=CC1=CCCC=C1,C=CC1=CCCC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h2,4,6-7H,1,3,5H2",OZTKINGBFVDAQR-UHFFFAOYSA-N,DTXCID60457177,Public_Low,-,-,-,6,1,-,-,-,-,-,-
7-Methylidenedispiro[2.0.2~4~.1~3~]heptane,CASRN:50874-25-4,DTXSID30512580,C=C1C2(CC2)C11CC1,C=C1C2(CC2)C11CC1,C8H10,106.0782503,InChI=1S/C8H10/c1-6-7(2-3-7)8(6)4-5-8/h1-5H2,PQFGODFYRQJZOI-UHFFFAOYSA-N,DTXCID90463387,Public_Low,-,-,-,5,1,-,-,-,-,-,-
Magnesium bromide (3-methylphenyl)methanide (1/1/1),CASRN:90531-94-5,DTXSID90523278,[Mg++].[Br-].CC1=CC([CH2-])=CC=C1,CC1=CC(C)=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3",IVSZLXZYQVIEFR-UHFFFAOYSA-N,DTXCID501446,Public_Low,-,-,-,-,1,-,-,-,-,-,-
"1,2,3,4-Tetrahydropentalene",CASRN:50874-54-9,DTXSID50531551,C1CC2=C(C1)C=CC2,C1CC2=C(C1)C=CC2,C8H10,106.0782503,"InChI=1S/C8H10/c1-3-7-5-2-6-8(7)4-1/h1,3H,2,4-6H2",KSLKQSAUXPMGBT-UHFFFAOYSA-N,DTXCID80482340,Public_Low,-,-,-,9,1,-,-,-,-,-,-
"3,5-Dimethylidenecyclohex-1-ene",CASRN:38461-17-5,DTXSID90539637,C=C1CC=CC(=C)C1,C=C1CC=CC(=C)C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-4H,1-2,5-6H2",WTQHNWLXESYFAM-UHFFFAOYSA-N,DTXCID20490424,Public_Low,-,-,-,11,2,-,-,-,-,-,-
"Tetracyclo[4.2.0.0~2,5~.0~3,8~]octane",CASRN:3104-90-3,DTXSID70544401,C1C2C3CC4C1C2C34,C1C2C3CC4C1C2C34,C8H10,106.0782503,"InChI=1S/C8H10/c1-3-5-2-6-4(1)7(3)8(5)6/h3-8H,1-2H2",PEFZFWPODUHDJZ-UHFFFAOYSA-N,DTXCID70939696,Public_Low,-,-,-,9,1,-,-,-,-,-,-
"1,2,3,5-Tetrahydropentalene",CASRN:50874-55-0,DTXSID60552191,C1CC2=CCC=C2C1,C1CC2=CCC=C2C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-3-7-5-2-6-8(7)4-1/h3-4H,1-2,5-6H2",SMXIFCOIDXDOKN-UHFFFAOYSA-N,DTXCID60502974,Public_Low,-,-,-,8,1,-,-,-,-,-,-
1-Methylidenedispiro[2.0.2~4~.1~3~]heptane,CASRN:50874-26-5,DTXSID20558811,C=C1CC11CC11CC1,C=C1CC11CC11CC1,C8H10,106.0782503,InChI=1S/C8H10/c1-6-4-8(6)5-7(8)2-3-7/h1-5H2,SKAJZUHJLQIZBE-UHFFFAOYSA-N,DTXCID30943633,Public_Low,-,-,-,4,1,-,-,-,-,-,-
Potassium 1-phenylethan-1-ide,CASRN:2678-95-7,DTXSID80561124,[K+].C[CH-]C1=CC=CC=C1,CCC1=CC=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",YNQLUTRBYVCPMQ-UHFFFAOYSA-N,DTXCID10596,Public_Low,-,-,-,4,1,-,-,-,-,-,-
Magnesium chloride (3-methylphenyl)methanide (1/1/1),CASRN:29875-06-7,DTXSID90564828,[Mg++].[Cl-].CC1=CC([CH2-])=CC=C1,CC1=CC(C)=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3",IVSZLXZYQVIEFR-UHFFFAOYSA-N,DTXCID501446,Public_Low,-,-,-,-,1,-,-,-,-,-,-
Bromozinc(1+) (3-methylphenyl)methanide,CASRN:195985-11-6,DTXSID30571576,[Zn+]Br.CC1=CC([CH2-])=CC=C1,CC1=CC(C)=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3",IVSZLXZYQVIEFR-UHFFFAOYSA-N,DTXCID501446,Public_Low,-,-,-,-,1,-,-,-,-,-,-
Chlorozinc(1+) 2-phenylethan-1-ide,CASRN:88733-59-9,DTXSID80575600,Cl[Zn+].[CH2-]CC1=CC=CC=C1,CCC1=CC=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",YNQLUTRBYVCPMQ-UHFFFAOYSA-N,DTXCID10596,Public_Low,-,-,-,6,1,-,-,-,-,-,-
"1,4-Bis[(~13~C)methyl]benzene",CASRN:116598-94-8,DTXSID50583833,[13CH3]C1=CC=C([13CH3])C=C1,CC1=CC=C(C)C=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3",URLKBWYHVLBVBO-UHFFFAOYSA-N,DTXCID701868,Public_Low,-,-,-,8,1,-,-,-,-,-,-
"1,4-Dimethyl(~2~H_4_)benzene",CASRN:16034-43-8,DTXSID10583834,[2H]C1=C([2H])C(C)=C([2H])C([2H])=C1C,CC1=CC=C(C)C=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3",URLKBWYHVLBVBO-UHFFFAOYSA-N,DTXCID701868,Public_Low,-,-,-,13,1,-,-,-,-,-,-
"1,2-Bis[(~2~H_3_)methyl]benzene",CASRN:25319-54-4,DTXSID90583837,[2H]C([2H])([2H])C1=CC=CC=C1C([2H])([2H])[2H],CC1=C(C)C=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3",CTQNGGLPUBDAKN-UHFFFAOYSA-N,DTXCID501807,Public_Low,-,-,-,10,1,-,-,-,-,-,-
"1,3-Bis[(~13~C)methyl]benzene",CASRN:117713-57-2,DTXSID40583887,[13CH3]C1=CC([13CH3])=CC=C1,CC1=CC(C)=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3",IVSZLXZYQVIEFR-UHFFFAOYSA-N,DTXCID501446,Public_Low,-,-,-,8,1,-,-,-,-,-,-
(1-~13~C)Ethylbenzene,CASRN:287399-32-0,DTXSID40584334,C[13CH2]C1=CC=CC=C1,CCC1=CC=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",YNQLUTRBYVCPMQ-UHFFFAOYSA-N,DTXCID10596,Public_Low,-,-,-,11,1,-,-,-,-,-,-
"1-(1,1-~2~H_2_)Ethyl(~2~H_5_)benzene",CASRN:84272-90-2,DTXSID00584350,[2H]C1=C([2H])C([2H])=C(C([2H])=C1[2H])C([2H])([2H])C,CCC1=CC=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",YNQLUTRBYVCPMQ-UHFFFAOYSA-N,DTXCID10596,Public_Low,-,-,-,8,1,-,-,-,-,-,-
"3-Ethenylhexa-1,3,5-triene",CASRN:35237-68-4,DTXSID70626913,C=CC=C(C=C)C=C,C=CC=C(C=C)C=C,C8H10,106.0782503,"InChI=1S/C8H10/c1-4-7-8(5-2)6-3/h4-7H,1-3H2",IOBSCEJIYIKFBY-UHFFFAOYSA-N,DTXCID00577666,Public_Low,-,-,-,7,1,-,-,-,-,-,-
1-(Prop-2-yn-1-yl)cyclopent-1-ene,CASRN:38134-30-4,DTXSID10706102,C#CCC1=CCCC1,C#CCC1=CCCC1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-5-8-6-3-4-7-8/h1,6H,3-5,7H2",GVEXXAXWYZBNQV-UHFFFAOYSA-N,DTXCID10656850,Public_Low,-,-,-,6,1,-,-,-,-,-,-
"Octa-2,6-dien-4-yne",CASRN:112896-41-0,DTXSID00711967,CC=CC#CC=CC,CC=CC#CC=CC,C8H10,106.0782503,"InChI=1S/C8H10/c1-3-5-7-8-6-4-2/h3-6H,1-2H3",YTEZGQNMZDDQMB-UHFFFAOYSA-N,DTXCID50662713,Public_Low,-,-,-,6,1,-,-,-,-,-,-
"1,2,4,5-Tetrahydropentalene",CASRN:60247-22-5,DTXSID50733432,C1CC2=CCCC2=C1,C1CC2=CCCC2=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-3-7-5-2-6-8(7)4-1/h3,6H,1-2,4-5H2",NYXFEAGJOPYPHZ-UHFFFAOYSA-N,DTXCID90684176,Public_Low,-,-,-,6,1,-,-,-,-,-,-
"1,3-Bis[(~2~H_3_)methyl]benzene",CASRN:29636-65-5,DTXSID50745696,[2H]C([2H])([2H])C1=CC(=CC=C1)C([2H])([2H])[2H],CC1=CC(C)=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3",IVSZLXZYQVIEFR-UHFFFAOYSA-N,DTXCID501446,Public_Low,-,-,-,7,1,-,-,-,-,-,-
(2-~13~C)Ethylbenzene,CASRN:158507-69-8,DTXSID30745699,[13CH3]CC1=CC=CC=C1,CCC1=CC=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",YNQLUTRBYVCPMQ-UHFFFAOYSA-N,DTXCID10596,Public_Low,-,-,-,4,1,-,-,-,-,-,-
(~13~C_2_)Ethylbenzene,CASRN:287399-33-1,DTXSID00745803,[13CH3][13CH2]C1=CC=CC=C1,CCC1=CC=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",YNQLUTRBYVCPMQ-UHFFFAOYSA-N,DTXCID10596,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"1,4-Bis[(~13~C)methyl](~13~C_6_)benzene",CASRN:439669-00-8,DTXSID70745850,[13CH3][13C]1=[13CH][13CH]=[13C]([13CH3])[13CH]=[13CH]1,CC1=CC=C(C)C=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3",URLKBWYHVLBVBO-UHFFFAOYSA-N,DTXCID701868,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"5-Methyl-6-methylidenecyclohexa-1,3-diene",CASRN:88473-96-5,DTXSID30748382,CC1C=CC=CC1=C,CC1C=CC=CC1=C,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6,8H,1H2,2H3",BTCILYXBYQMJNY-UHFFFAOYSA-N,DTXCID00843217,Public_Low,-,-,-,7,1,-,-,-,-,-,-
Calcium bis(2-phenylethan-1-ide),CASRN:113360-70-6,DTXSID40764957,[Ca++].[CH2-]CC1=CC=CC=C1.[CH2-]CC1=CC=CC=C1,CCC1=CC=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",YNQLUTRBYVCPMQ-UHFFFAOYSA-N,DTXCID10596,Public_Low,-,-,-,3,1,-,-,-,-,-,-
"Bicyclo[4.2.0]octa-1(8),6-diene",CASRN:185682-88-6,DTXSID80774570,C1CCC2=CC=C2C1,C1CCC2=CC=C2C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-4-8-6-5-7(8)3-1/h5-6H,1-4H2",WDQWVNJFAMXRNN-UHFFFAOYSA-N,DTXCID10725313,Public_Low,-,-,-,4,1,-,-,-,-,-,-
Bicyclo[2.2.2]oct-2-yne,CASRN:215655-90-6,DTXSID10776502,[H]C12CCC([H])(CC1)C#C2,[H]C12CCC([H])(CC1)C#C2,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-8-5-3-7(1)4-6-8/h7-8H,1-3,5H2",QUAJAVGPRBDQRA-UHFFFAOYSA-N,DTXCID00727245,Public_Low,-,-,-,7,1,-,-,-,-,-,-
"3,5-Dinitrobenzonitrile--1,2-xylene (1/1)",CASRN:674776-11-5,DTXSID00791300,CC1=CC=CC=C1C.[O-][N+](=O)C1=CC(=CC(=C1)C#N)[N+]([O-])=O,CC1=C(C)C=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3",CTQNGGLPUBDAKN-UHFFFAOYSA-N,DTXCID501807,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"Benzonitrile--1,4-xylene (1/1)",CASRN:665005-76-5,DTXSID10792343,CC1=CC=C(C)C=C1.N#CC1=CC=CC=C1,CC1=CC=C(C)C=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-3-5-8(2)6-4-7/h3-6H,1-2H3",URLKBWYHVLBVBO-UHFFFAOYSA-N,DTXCID701868,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"6-Methylbicyclo[3.2.0]hepta-1,6-diene",CASRN:61888-35-5,DTXSID40813292,CC1=CC2=CCCC12,CC1=CC2=CCCC12,C8H10,106.0782503,"InChI=1S/C8H10/c1-6-5-7-3-2-4-8(6)7/h3,5,8H,2,4H2,1H3",WLOVMVZEFLNNCC-UHFFFAOYSA-N,DTXCID40924958,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"(1R)-Bicyclo[3.2.1]octa-2,6-diene",CASRN:61617-42-3,DTXSID80815811,[H]C12C[C@@H](C=C1)C=CC2,C1C2CC=CC1C=C2,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-7-4-5-8(3-1)6-7/h1-2,4-5,7-8H,3,6H2",VTYQQMGYHHVPMX-UHFFFAOYSA-N,DTXCID80926274,Public_Low,-,-,-,3,1,-,-,-,-,-,-
"2,4-Dimethylhexa-1,3-dien-5-yne",CASRN:61272-04-6,DTXSID90819042,CC(=C)C=C(C)C#C,CC(=C)C=C(C)C#C,C8H10,106.0782503,"InChI=1S/C8H10/c1-5-8(4)6-7(2)3/h1,6H,2H2,3-4H3",BCSLQJSLCRMLTP-UHFFFAOYSA-N,DTXCID80769784,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"Bicyclo[4.1.1]octa-1,5-diene",CASRN:88386-33-8,DTXSID40828361,C1C2=CCCC=C1C2,C1C2=CCCC=C1C2,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-4-8-5-7(3-1)6-8/h3-4H,1-2,5-6H2",RRCSONLHOYBYQC-UHFFFAOYSA-N,DTXCID00779103,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"Bicyclo[3.2.1]octa-1,4-diene",CASRN:88362-41-8,DTXSID20828541,C1CC2=CCC=C1C2,C1CC2=CCC=C1C2,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-7-4-5-8(3-1)6-7/h2-3H,1,4-6H2",BRRUUIQKXYVQHF-UHFFFAOYSA-N,DTXCID40779283,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"Octa-3,7-dien-1-yne",CASRN:828262-67-5,DTXSID20836404,C=CCCC=CC#C,C=CCCC=CC#C,C8H10,106.0782503,"InChI=1S/C8H10/c1-3-5-7-8-6-4-2/h1,4-5,7H,2,6,8H2",JHKRUZCFDHCMMA-UHFFFAOYSA-N,DTXCID40787146,Public_Low,-,-,-,3,1,-,-,-,-,-,-
5-Methylenenorbornene,CASRN:694-91-7,DTXSID70862374,C=C1CC2CC1C=C2,C=C1CC2CC1C=C2,C8H10,106.0782503,"InChI=1S/C8H10/c1-6-4-7-2-3-8(6)5-7/h2-3,7-8H,1,4-5H2",WTQBISBWKRKLIJ-UHFFFAOYSA-N,DTXCID40811152,DSSTox_Low,-,-,-,-,5,-,-,-,-,-,-
"Bicyclo[3.2.1]octa-2,6-diene",CASRN:4096-95-1,DTXSID50961339,C1C2CC=CC1C=C2,C1C2CC=CC1C=C2,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-7-4-5-8(3-1)6-7/h1-2,4-5,7-8H,3,6H2",VTYQQMGYHHVPMX-UHFFFAOYSA-N,DTXCID80926274,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"Tricyclo[5.1.0.0~2,8~]oct-3-ene",CASRN:102575-26-8,DTXSID60907763,C1CC2C3C(C=C1)C23,C1CC2C3C(C=C1)C23,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-4-6-7-5(3-1)8(6)7/h1,3,5-8H,2,4H2",NRLYGERJPCINJA-UHFFFAOYSA-N,DTXCID701336851,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"Formaldehyde--1,2-xylene (1/1)",CASRN:126341-24-0,DTXSID90925511,C=O.CC1=CC=CC=C1C,CC1=C(C)C=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3",CTQNGGLPUBDAKN-UHFFFAOYSA-N,DTXCID501807,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"Formaldehyde--1,3-xylene (1/1)",CASRN:172672-76-3,DTXSID90938186,C=O.CC1=CC(C)=CC=C1,CC1=CC(C)=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-4-3-5-8(2)6-7/h3-6H,1-2H3",IVSZLXZYQVIEFR-UHFFFAOYSA-N,DTXCID501446,Public_Low,-,-,-,-,2,-,-,-,-,-,-
(~2~H_5_)Ethylbenzene,CASRN:20302-26-5,DTXSID70942443,[2H]C([2H])([2H])C([2H])([2H])C1=CC=CC=C1,CCC1=CC=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3",YNQLUTRBYVCPMQ-UHFFFAOYSA-N,DTXCID10596,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"Furan-2,5-dione--5-methylidenebicyclo[2.2.1]hept-2-ene (1/1)",CASRN:30600-22-7,DTXSID80952876,O=C1OC(=O)C=C1.C=C1CC2CC1C=C2,C=C1CC2CC1C=C2,C8H10,106.0782503,"InChI=1S/C8H10/c1-6-4-7-2-3-8(6)5-7/h2-3,7-8H,1,4-5H2",WTQBISBWKRKLIJ-UHFFFAOYSA-N,DTXCID40811152,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"Tricyclo[3.2.1.0~2,4~]oct-6-ene",CASRN:3635-94-7,DTXSID20957688,C1C2C1C1CC2C=C1,C1C2C1C1CC2C=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-6-3-5(1)7-4-8(6)7/h1-2,5-8H,3-4H2",ZYVIMZRTFMWLDQ-UHFFFAOYSA-N,DTXCID001385619,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"Bicyclo[5.1.0]octa-2,5-diene",CASRN:3725-20-0,DTXSID50958406,C1C2C=CCC=CC12,C1C2C=CCC=CC12,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-4-7-6-8(7)5-3-1/h2-5,7-8H,1,6H2",JDQMYZVQKVSYEV-UHFFFAOYSA-N,DTXCID301386311,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"Bicyclo[4.2.0]octa-2,4-diene",CASRN:3725-28-8,DTXSID10958407,C1CC2C=CC=CC12,C1CC2C=CC=CC12,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-4-8-6-5-7(8)3-1/h1-4,7-8H,5-6H2",JTIKVKRPISBACC-UHFFFAOYSA-N,DTXCID001386312,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"1,2,2a,2b,4a,4b-Hexahydrocyclopropa[cd]pentalene",CASRN:3725-33-5,DTXSID70958408,C1CC2C=CC3C1C23,C1CC2C=CC3C1C23,C8H10,106.0782503,"InChI=1S/C8H10/c1-3-6-7-4-2-5(1)8(6)7/h1,3,5-8H,2,4H2",GAPWQJFIGCOETC-UHFFFAOYSA-N,DTXCID701386313,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"Tricyclo[4.2.0.0~2,5~]oct-3-ene",CASRN:39781-76-5,DTXSID30960360,C1CC2C1C1C=CC21,C1CC2C1C1C=CC21,C8H10,106.0782503,"InChI=1S/C8H10/c1-2-6-5(1)7-3-4-8(6)7/h1-2,5-8H,3-4H2",YHCXYJYRBADQSN-UHFFFAOYSA-N,DTXCID501388220,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"2,3-Dimethylidenebicyclo[2.2.0]hexane",CASRN:40117-13-3,DTXSID10960560,C=C1C2CCC2C1=C,C=C1C2CCC2C1=C,C8H10,106.0782503,"InChI=1S/C8H10/c1-5-6(2)8-4-3-7(5)8/h7-8H,1-4H2",BWABVUBNQYHTFR-UHFFFAOYSA-N,DTXCID601388409,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"1,3a,4,6a-Tetrahydropentalene",CASRN:41527-66-6,DTXSID50961798,C1C=CC2CC=CC12,C1C=CC2CC=CC12,C8H10,106.0782503,"InChI=1S/C8H10/c1-3-7-5-2-6-8(7)4-1/h1-3,6-8H,4-5H2",VRHOGTVMWMQIIC-UHFFFAOYSA-N,DTXCID201389617,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"1-Methylspiro[2.4]hepta-4,6-diene",CASRN:4308-80-9,DTXSID10962882,CC1CC11C=CC=C1,CC1CC11C=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-6-8(7)4-2-3-5-8/h2-5,7H,6H2,1H3",TZVCEQUZFONSAG-UHFFFAOYSA-N,DTXCID401390662,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"6-Methyltricyclo[4.1.0.0~2,7~]hept-3-ene",CASRN:61772-31-4,DTXSID80977347,CC12CC=CC3C1C23,CC12CC=CC3C1C23,C8H10,106.0782503,"InChI=1S/C8H10/c1-8-4-2-3-5-6(8)7(5)8/h2-3,5-7H,4H2,1H3",WOYUXGDGCLTOGE-UHFFFAOYSA-N,DTXCID701404701,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"1-Methyltricyclo[4.1.0.0~2,7~]hept-3-ene",CASRN:61772-33-6,DTXSID00977349,CC12C3CC=CC1C23,CC12C3CC=CC1C23,C8H10,106.0782503,"InChI=1S/C8H10/c1-8-5-3-2-4-6(8)7(5)8/h2-3,5-7H,4H2,1H3",FMQJRWFOLVXBPH-UHFFFAOYSA-N,DTXCID101404703,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"Ethenylbenzene--1,2-xylene (1/1)",CASRN:68298-88-4,DTXSID00987822,CC1=CC=CC=C1C.C=CC1=CC=CC=C1,CC1=C(C)C=CC=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-7-5-3-4-6-8(7)2/h3-6H,1-2H3",CTQNGGLPUBDAKN-UHFFFAOYSA-N,DTXCID501807,Public_Low,-,-,-,-,2,-,-,-,-,-,-
7-Methylidenebicyclo[3.2.0]hept-2-ene,CASRN:75960-13-3,DTXSID00997320,C=C1CC2CC=CC12,C=C1CC2CC=CC12,C8H10,106.0782503,"InChI=1S/C8H10/c1-6-5-7-3-2-4-8(6)7/h2,4,7-8H,1,3,5H2",SSLJGAWCZAGYAQ-UHFFFAOYSA-N,DTXCID301424325,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"1,2-Dimethyl-1,1'-bi(cycloprop-2-ene)",CASRN:76486-72-1,DTXSID00997860,CC1=CC1(C)C1C=C1,CC1=CC1(C)C1C=C1,C8H10,106.0782503,"InChI=1S/C8H10/c1-6-5-8(6,2)7-3-4-7/h3-5,7H,1-2H3",DEPCHIDGJCISPK-UHFFFAOYSA-N,DTXCID701424858,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"Octahydrodicyclopropa[cd,gh]pentalene",CASRN:765-72-0,DTXSID10997871,C1C2C3CC4C1C4C23,C1C2C3CC4C1C4C23,C8H10,106.0782503,"InChI=1S/C8H10/c1-3-5-2-6-4(1)8(6)7(3)5/h3-8H,1-2H2",WPZRDFCTXNEVRC-UHFFFAOYSA-N,DTXCID001424869,Public_Low,-,-,-,-,2,-,-,-,-,-,-
N'-Nitrosonornicotine,CASRN:16543-55-8,DTXSID4021476,O=NN1CCC[C@H]1C1=CC=CN=C1,O=NN1CCCC1C1=CN=CC=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2",XKABJYQDMJTNGQ-UHFFFAOYSA-N,DTXCID60209118,DSSTox_High,-,-,239,23,26,-,-,1,-,-,-
"2-Imidazolidinone, 1-(3-methyl-2-pyridyl)-",CASRN:101564-87-8,DTXSID70144021,CC1=C(N=CC=C1)N1CCNC1=O,CC1=C(N=CC=C1)N1CCNC1=O,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-7-3-2-4-10-8(7)12-6-5-11-9(12)13/h2-4H,5-6H2,1H3,(H,11,13)",MNGKOZSALDUQBL-UHFFFAOYSA-N,DTXCID7066512,Public_Medium,-,-,-,12,3,-,-,-,-,-,-
"5H-2-Pyrindine-4-carboxamide, 6,7-dihydro-3-amino-",CASRN:130688-30-1,DTXSID00156677,NC(=O)C1=C2CCCC2=CN=C1N,NC(=O)C1=C2CCCC2=CN=C1N,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c10-8-7(9(11)13)6-3-1-2-5(6)4-12-8/h4H,1-3H2,(H2,10,12)(H2,11,13)",XQJDNVDHTQJZJL-UHFFFAOYSA-N,DTXCID2079168,Public_Medium,-,-,-,10,4,-,-,-,-,-,-
"1H-Benzimidazol-2-amine, 5-methoxy-1-methyl-",CASRN:1805-02-3,DTXSID10170965,COC1=CC2=C(C=C1)N(C)C(N)=N2,COC1=CC2=C(C=C1)N(C)C(N)=N2,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-12-8-4-3-6(13-2)5-7(8)11-9(12)10/h3-5H,1-2H3,(H2,10,11)",BTSAWSKQHDFYIU-UHFFFAOYSA-N,DTXCID7093456,Public_Medium,-,-,-,30,4,-,-,-,-,-,-
N'-(1-Methylethylidene)nicotinohydrazide,CASRN:4226-39-5,DTXSID30195094,CC(C)=NNC(=O)C1=CN=CC=C1,CC(C)N=NC(=O)C1=CN=CC=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-7(2)11-12-9(13)8-4-3-5-10-6-8/h3-7H,1-2H3",XPTPNPLGISCEIW-UHFFFAOYSA-N,DTXCID701281945,Public_Medium,-,-,-,23,3,-,-,-,-,-,-
1'(Or 2')-(isopropylidene)isonicotinohydrazide,CASRN:4813-04-1,DTXSID00197429,CC(C)=NNC(=O)C1=CC=NC=C1,CC(C)N=NC(=O)C1=CC=NC=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7H,1-2H3",BNPCQXNWPYBOKR-UHFFFAOYSA-N,DTXCID601041726,Public_Medium,-,-,-,41,11,-,-,-,1,-,1
"3-Pyridinecarbonitrile, 1,2-dihydro-6-(dimethylamino)-4-methyl-2-oxo-",CASRN:51562-86-8,DTXSID30199517,CN(C)C1=CC(C)=C(C#N)C(=O)N1,CN(C)C1=NC(=O)C(C#N)=C(C)C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-6-4-8(12(2)3)11-9(13)7(6)5-10/h4H2,1-3H3",SODKJLNBLLPSFW-UHFFFAOYSA-N,DTXCID90220634,Public_Medium,-,-,-,12,3,-,-,-,-,-,-
(R)-N'-Nitrosonornicotine,CASRN:61601-78-3,DTXSID70210619,O=NN1CCC[C@@H]1C1=CN=CC=C1,O=NN1CCCC1C1=CN=CC=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2",XKABJYQDMJTNGQ-UHFFFAOYSA-N,DTXCID60209118,Public_Medium,-,-,-,11,4,-,-,-,-,-,-
"3-Pyridinecarbonitrile, 1,2-dihydro-4-(dimethylamino)-6-methyl-2-oxo-",CASRN:98694-78-1,DTXSID70243785,CN(C)C1=C(C#N)C(=O)NC(C)=C1,CN(C)C1=C(C#N)C(=O)N=C(C)C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-6-4-8(12(2)3)7(5-10)9(13)11-6/h4H2,1-3H3",XAQANZVTRDNKFI-UHFFFAOYSA-N,DTXCID90225462,Public_Medium,-,-,-,28,5,-,-,-,-,-,-
"3,5,7-trimethyl-6H-[1,2]oxazolo[4,5-b][1,4]diazepine",CASRN:41230-61-9,DTXSID40303946,CC1=NOC2=C1N=C(C)CC(C)=N2,CC1=NOC2=C1N=C(C)CC(C)=N2,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-5-4-6(2)11-9-8(10-5)7(3)12-13-9/h4H2,1-3H3",AHGCJNYKXMLNDR-UHFFFAOYSA-N,DTXCID00255078,Public_Low,-,-,-,9,2,-,-,-,-,-,-
N-(propan-2-ylideneamino)pyridine-2-carboxamide,CASRN:55101-19-4,DTXSID20308010,CC(C)=NNC(=O)C1=CC=CC=N1,CC(C)N=NC(=O)C1=CC=CC=N1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-7(2)11-12-9(13)8-5-3-4-6-10-8/h3-7H,1-2H3",JJZZJQXLPWPVBB-UHFFFAOYSA-N,DTXCID001066437,Public_Low,-,-,-,14,2,-,-,-,-,-,-
"2-methyl-1,2,3,5-tetrahydropyrido[2,3-b][1,4]diazepin-4-one",CASRN:22123-97-3,DTXSID60312555,CC1CC(=O)NC2=C(N1)C=CC=N2,CC1CC(=O)NC2=NC=CC=C2N1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-6-5-8(13)12-9-7(11-6)3-2-4-10-9/h2-4,6,11H,5H2,1H3,(H,10,12,13)",DGULOVDHZKKDAL-UHFFFAOYSA-N,DTXCID60957804,Public_Low,-,-,-,11,2,-,-,-,-,-,-
MLS003115487,CASRN:56543-80-7,DTXSID10313931,CC(O)C1=NN=C2C=C(C)C=CN12,CC(O)C1=NN=C2C=C(C)C=CN12,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-6-3-4-12-8(5-6)10-11-9(12)7(2)13/h3-5,7,13H,1-2H3",YNEFBNGEYPGACF-UHFFFAOYSA-N,DTXCID30958287,Public_Low,-,-,-,11,3,-,-,-,-,-,-
1-propoxybenzotriazole,CASRN:60454-98-0,DTXSID90314567,CCCON1N=NC2=CC=CC=C12,CCCON1N=NC2=CC=CC=C12,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-2-7-13-12-9-6-4-3-5-8(9)10-11-12/h3-6H,2,7H2,1H3",YREQXCNLELHOPG-UHFFFAOYSA-N,DTXCID80265690,Public_Low,-,-,-,9,2,-,-,-,-,-,-
"3-Ethyl-3,4-dihydro-1,2,3-benzotriazin-4-ol",CASRN:85010-40-8,DTXSID20320691,CCN1N=NC2=CC=CC=C2C1O,CCN1N=NC2=CC=CC=C2C1O,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-2-12-9(13)7-5-3-4-6-8(7)10-11-12/h3-6,9,13H,2H2,1H3",AMPHWWPMTNCAJG-UHFFFAOYSA-N,DTXCID50960605,Public_Low,-,-,-,11,2,-,-,-,-,-,-
N-[(4-methylphenyl)hydrazinylidene]acetamide,CASRN:86808-38-0,DTXSID10321531,CC(=O)\\N=N\\NC1=CC=C(C)C=C1,CC(=O)\\N=N\\NC1=CC=C(C)C=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-7-3-5-9(6-4-7)11-12-10-8(2)13/h3-6H,1-2H3,(H,10,11,13)",VRFYZPYYKJHYJG-UHFFFAOYSA-N,DTXCID70272651,Public_Low,-,-,-,9,2,-,-,-,-,-,-
(2-nitroso-1-phenylprop-1-enyl)hydrazine,CASRN:41939-99-5,DTXSID20326734,CC(N=O)=C(NN)C1=CC=CC=C1,CC(N=O)C(=NN)C1=CC=CC=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-7(12-13)9(11-10)8-5-3-2-4-6-8/h2-7H,10H2,1H3",HXPICTAMGGHSRN-UHFFFAOYSA-N,DTXCID801192905,Public_Low,-,-,-,10,1,-,-,-,-,-,-
"Isoxazole, 3-(1,5-dimethyl-1H-pyrazol-3-yl)-5-methyl-",CASRN:113411-43-1,DTXSID50333113,CN1N=C(C=C1C)C1=NOC(C)=C1,CN1N=C(C=C1C)C1=NOC(C)=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-6-4-8(10-12(6)3)9-5-7(2)13-11-9/h4-5H,1-3H3",IDMVPLIFTRQSPG-UHFFFAOYSA-N,DTXCID60284203,Public_Low,-,-,-,10,1,-,-,-,-,-,-
2-(1H-Benzimidazol-2-ylamino)ethanol,CASRN:57262-38-1,DTXSID40342698,OCCNC1=NC2=CC=CC=C2N1,OCCNC1=NC2=CC=CC=C2N1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c13-6-5-10-9-11-7-3-1-2-4-8(7)12-9/h1-4,13H,5-6H2,(H2,10,11,12)",FGPOQZOBPMSSAQ-UHFFFAOYSA-N,DTXCID00293778,Public_Low,-,-,-,63,5,-,-,-,-,-,-
"5-amino-1,3-dimethyl-1,3-dihydro-2H-benzimidazol-2-one",CASRN:110274-75-4,DTXSID40354711,CN1C(=O)N(C)C2=C1C=CC(N)=C2,CN1C(=O)N(C)C2=C1C=CC(N)=C2,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-11-7-4-3-6(10)5-8(7)12(2)9(11)13/h3-5H,10H2,1-2H3",JHKRQZQRGCCWOO-UHFFFAOYSA-N,DTXCID70305771,Public_Low,-,-,-,52,2,-,-,-,-,-,-
(5-Amino-1-methyl-1H-benzoimidazol-2-yl)-methanol,CASRN:330472-50-9,DTXSID70357770,CN1C(CO)=NC2=C1C=CC(N)=C2,CN1C(CO)=NC2=C1C=CC(N)=C2,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-12-8-3-2-6(10)4-7(8)11-9(12)5-13/h2-4,13H,5,10H2,1H3",ZPELHGDYBGCOKX-UHFFFAOYSA-N,DTXCID10308827,Public_Low,-,-,-,37,2,-,-,-,-,-,-
2-Furan-2-ylmethyl-5-methyl-2H-pyrazol-3-ylamine,CASRN:4394-27-8,DTXSID50360121,CC1=NN(CC2=CC=CO2)C(N)=C1,CC1=NN(CC2=CC=CO2)C(N)=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-7-5-9(10)12(11-7)6-8-3-2-4-13-8/h2-5H,6,10H2,1H3",FFDJKHAMSFTBPZ-UHFFFAOYSA-N,DTXCID90311172,Public_Low,-,-,-,27,1,-,-,-,-,-,-
1-[(5-Methylfuran-2-yl)methyl]-1H-pyrazol-5-amine,CASRN:956193-08-1,DTXSID40360276,CC1=CC=C(CN2N=CC=C2N)O1,CC1=CC=C(CN2N=CC=C2N)O1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-7-2-3-8(13-7)6-12-9(10)4-5-11-12/h2-5H,6,10H2,1H3",RZODKTCDAKNWFY-UHFFFAOYSA-N,DTXCID20311327,Public_Low,-,-,-,41,1,-,-,-,-,-,-
1-Pyrimidin-2-yl-piperidin-4-one,CASRN:116247-92-8,DTXSID50363152,O=C1CCN(CC1)C1=NC=CC=N1,O=C1CCN(CC1)C1=NC=CC=N1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c13-8-2-6-12(7-3-8)9-10-4-1-5-11-9/h1,4-5H,2-3,6-7H2",ORFPLVFPQNNBST-UHFFFAOYSA-N,DTXCID00314199,Public_Low,-,-,-,60,2,-,-,-,-,-,-
Aminobenzodiazapine,CASRN:328546-66-3,DTXSID20378056,NC1=CC=CC2=C1NCCNC2=O,NC1=CC=CC2=C1NCCNC2=O,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c10-7-3-1-2-6-8(7)11-4-5-12-9(6)13/h1-3,11H,4-5,10H2,(H,12,13)",XVHVPDMTBPMQAQ-UHFFFAOYSA-N,DTXCID80329084,Public_Low,-,-,-,31,1,-,-,-,-,-,-
N-(3-ACETYLPHENYL)GUANIDINE,CASRN:24723-13-5,DTXSID30392344,CC(=O)C1=CC(=CC=C1)N=C(N)N,CC(=O)C1=CC(=CC=C1)N=C(N)N,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-6(13)7-3-2-4-8(5-7)12-9(10)11/h2-5H,1H3,(H4,10,11,12)",IGHJRBBQKRWMQU-UHFFFAOYSA-N,DTXCID80343205,Public_Low,-,-,-,21,1,-,-,-,-,-,-
3-(dimethylamino)-1-(2-pyrazinyl)-2-propen-1-one,CASRN:111781-53-4,DTXSID60392453,CN(C)C=CC(=O)C1=NC=CN=C1,CN(C)C=CC(=O)C1=NC=CN=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-12(2)6-3-9(13)8-7-10-4-5-11-8/h3-7H,1-2H3",CLHUZMQFALLXDS-UHFFFAOYSA-N,DTXCID10343314,Public_Low,-,-,-,19,1,-,-,-,-,-,-
ST51013461,CASRN:65533-75-7,DTXSID90399056,NN1CCC(=O)NC2=CC=CC=C12,NN1CCC(=O)NC2=CC=CC=C12,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c10-12-6-5-9(13)11-7-3-1-2-4-8(7)12/h1-4H,5-6,10H2,(H,11,13)",WCUJEIJYLUNNKS-UHFFFAOYSA-N,DTXCID90349915,Public_Low,-,-,-,17,1,-,-,-,-,-,-
"3-Methyl-5-nitroso-2,6,7,8-tetrahydrocinnoline",CASRN:184021-51-0,DTXSID50419800,CC1=CC2=C(CCCC2=NN1)N=O,CC1=CC2=C(CCCC2N=N1)N=O,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-6-5-7-8(11-10-6)3-2-4-9(7)12-13/h5,8H,2-4H2,1H3",YARAJGZVFNEQOG-UHFFFAOYSA-N,DTXCID60831958,Public_Low,-,-,-,43,1,-,-,-,-,-,-
"2-HYDROXY-1,5,6-TRIMETHYLIMIDAZO [4,5-B] PYRIDINE",CASRN:887406-59-9,DTXSID90421028,CN1C(=O)NC2=C1C=C(C)C(C)=N2,CN1C(=O)NC2=C1C=C(C)C(C)=N2,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-5-4-7-8(10-6(5)2)11-9(13)12(7)3/h4H,1-3H3,(H,10,11,13)",RNIWKAXDCMVXKQ-UHFFFAOYSA-N,DTXCID30371871,Public_Low,-,-,-,14,1,-,-,-,-,-,-
NSC409527,CASRN:16269-44-6,DTXSID70430456,CC1=CC=CC=C1\\C=N\\NC(N)=O,CC1=CC=CC=C1CN=NC(N)=O,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-7-4-2-3-5-8(7)6-11-12-9(10)13/h2-5H,6H2,1H3,(H2,10,13)",HPAHSBIMQPUQNG-UHFFFAOYSA-N,DTXCID401075975,Public_Low,-,-,-,11,2,-,-,-,-,-,-
[(2-Azidoethoxy)methyl]benzene,CASRN:336616-13-8,DTXSID50455743,[N-]=[N+]=NCCOCC1=CC=CC=C1,[N-]=[N+]=NCCOCC1=CC=CC=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c10-12-11-6-7-13-8-9-4-2-1-3-5-9/h1-5H,6-8H2",JNNJRIJFTCBFLX-UHFFFAOYSA-N,DTXCID40406562,Public_Low,-,-,-,17,1,-,-,-,-,-,-
"Furo[3,4-c]pyridin-4-amine, 1,3-dihydro-3-imino-6,7-dimethyl-",CASRN:494213-25-1,DTXSID80458282,CC1=C(C)C2=C(C(=N)OC2)C(N)=N1,CC1=NC(N)=C2C(=N)OCC2=C1C,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-4-5(2)12-8(10)7-6(4)3-13-9(7)11/h11H,3H2,1-2H3,(H2,10,12)",WFUCKLLDBGTWQG-UHFFFAOYSA-N,DTXCID101004026,Public_Low,-,-,-,8,1,-,-,-,-,-,-
"2-Imidazo[1,2-a]pyrimidin-7-yl-propan-2-ol",CASRN:461451-35-4,DTXSID10466830,CC(C)(O)C1=NC2=NC=CN2C=C1,CC(C)(O)C1=NC2=NC=CN2C=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-9(2,13)7-3-5-12-6-4-10-8(12)11-7/h3-6,13H,1-2H3",WIFLLVVTSRUGNM-UHFFFAOYSA-N,DTXCID50417649,Public_Low,-,-,-,22,2,-,-,-,-,-,-
6-AMINO-2-ETHOXY-4-METHYLPYRIDINE-3-CARBONITRILE,CASRN:894804-37-6,DTXSID70469569,CCOC1=C(C#N)C(C)=CC(N)=N1,CCOC1=C(C#N)C(C)=CC(N)=N1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-3-13-9-7(5-10)6(2)4-8(11)12-9/h4H,3H2,1-2H3,(H2,11,12)",GSEFQNRYCVLZCN-UHFFFAOYSA-N,DTXCID20420387,Public_Low,-,-,-,13,1,-,-,-,-,-,-
"Benzene, 1-(2-azidoethyl)-4-methoxy-",CASRN:74447-44-2,DTXSID50470012,COC1=CC=C(CCN=[N+]=[N-])C=C1,COC1=CC=C(CCN=[N+]=[N-])C=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-13-9-4-2-8(3-5-9)6-7-11-12-10/h2-5H,6-7H2,1H3",OUIDYQTXWIONQC-UHFFFAOYSA-N,DTXCID50420830,Public_Low,-,-,-,15,2,-,-,-,-,-,-
2-(6-Amino-1H-indazol-1-yl)ethanol,CASRN:874668-59-4,DTXSID40470920,NC1=CC2=C(C=NN2CCO)C=C1,NC1=CC2=C(C=NN2CCO)C=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c10-8-2-1-7-6-11-12(3-4-13)9(7)5-8/h1-2,5-6,13H,3-4,10H2",BMCWDEPZFRKGKB-UHFFFAOYSA-N,DTXCID60421737,Public_Low,-,-,-,24,1,-,-,-,-,-,-
Nitric acid--N''-(3-acetylphenyl)guanidine (1/1),CASRN:18860-88-3,DTXSID20470943,O[N+]([O-])=O.CC(=O)C1=CC(=CC=C1)N=C(N)N,CC(=O)C1=CC(=CC=C1)N=C(N)N,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-6(13)7-3-2-4-8(5-7)12-9(10)11/h2-5H,1H3,(H4,10,11,12)",IGHJRBBQKRWMQU-UHFFFAOYSA-N,DTXCID80343205,Public_Low,-,-,-,5,2,-,-,-,-,-,-
"3-(2-aminoethyl)-1H-pyrrolo[2,3-b]pyridin-5-ol",CASRN:916895-89-1,DTXSID60475391,NCCC1=CNC2=C1C=C(O)C=N2,NCCC1=CNC2=C1C=C(O)C=N2,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c10-2-1-6-4-11-9-8(6)3-7(13)5-12-9/h3-5,13H,1-2,10H2,(H,11,12)",MAIBYZPMDIUQQD-UHFFFAOYSA-N,DTXCID00426201,Public_Low,-,-,-,19,1,-,-,-,-,-,-
rac N'-Nitrosonornicotine-D4,CASRN:66148-19-4,DTXSID90478557,[2H]C1=NC([2H])=C(C2CCCN2N=O)C([2H])=C1[2H],O=NN1CCCC1C1=CN=CC=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c13-11-12-6-2-4-9(12)8-3-1-5-10-7-8/h1,3,5,7,9H,2,4,6H2",XKABJYQDMJTNGQ-UHFFFAOYSA-N,DTXCID60209118,Public_Low,-,-,-,9,1,-,-,-,-,-,-
N-(4-ACETYLPHENYL)GUANIDINE,CASRN:56923-83-2,DTXSID40482588,CC(=O)C1=CC=C(C=C1)N=C(N)N,CC(=O)C1=CC=C(C=C1)N=C(N)N,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-6(13)7-2-4-8(5-3-7)12-9(10)11/h2-5H,1H3,(H4,10,11,12)",YZMGXQZYUREZKX-UHFFFAOYSA-N,DTXCID40433398,Public_Low,-,-,-,21,2,-,-,-,-,-,-
"9H-Pyrimido[4,5-c]azepin-9-one, 5,6,7,8-tetrahydro-2-methyl-",CASRN:62205-94-1,DTXSID70487182,CC1=NC=C2CCCNC(=O)C2=N1,CC1=NC=C2CCCNC(=O)C2=N1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-6-11-5-7-3-2-4-10-9(13)8(7)12-6/h5H,2-4H2,1H3,(H,10,13)",STGQOAGZLQFUBJ-UHFFFAOYSA-N,DTXCID40437992,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"5-(Propan-2-yl)pyrazolo[1,5-a]pyrimidin-7(1H)-one",CASRN:61226-77-5,DTXSID20494482,CC(C)C1=CC(=O)N2NC=CC2=N1,CC(C)C1=CC(=O)N2N=CCC2=N1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-6(2)7-5-9(13)12-8(11-7)3-4-10-12/h4-6H,3H2,1-2H3",PQLCSTGVIPFFNE-UHFFFAOYSA-N,DTXCID701241339,Public_Low,-,-,-,16,1,-,-,-,-,-,-
"4-[(1E)-3,3-Dimethyltriaz-1-en-1-yl]benzaldehyde",CASRN:23456-96-4,DTXSID30510869,CN(C)\\N=N\\C1=CC=C(C=O)C=C1,CN(C)N=NC1=CC=C(C=O)C=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-12(2)11-10-9-5-3-8(7-13)4-6-9/h3-7H,1-2H3",DKRDQCRICXIJNO-UHFFFAOYSA-N,DTXCID601077565,Public_Low,-,-,-,7,1,-,-,-,-,-,-
"6-Hydrazinyl-3,4-dihydroisoquinolin-1(2H)-one",CASRN:352557-07-4,DTXSID70514240,NNC1=CC2=C(C=C1)C(=O)NCC2,NNC1=CC2=C(C=C1)C(=O)NCC2,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c10-12-7-1-2-8-6(5-7)3-4-11-9(8)13/h1-2,5,12H,3-4,10H2,(H,11,13)",AKUIDUVCFOJVPV-UHFFFAOYSA-N,DTXCID30465047,Public_Low,-,-,-,13,1,-,-,-,-,-,-
1-{4-[(2E)-3-Methyltriaz-2-en-1-yl]phenyl}ethan-1-one,CASRN:51029-21-1,DTXSID50517294,C\\N=N\\NC1=CC=C(C=C1)C(C)=O,C\\N=N\\NC1=CC=C(C=C1)C(C)=O,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-7(13)8-3-5-9(6-4-8)11-12-10-2/h3-6H,1-2H3,(H,10,11)",ZMVPYGSBZJKCAE-UHFFFAOYSA-N,DTXCID40468100,Public_Low,-,-,-,6,4,-,-,1,-,-,-
"1-Methoxy-1H-isoindole-1,3-diamine",CASRN:90328-20-4,DTXSID80517888,COC1(N)N=C(N)C2=CC=CC=C12,COC1(N)N=C(N)C2=CC=CC=C12,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-13-9(11)7-5-3-2-4-6(7)8(10)12-9/h2-5H,11H2,1H3,(H2,10,12)",KOMYBOBNILLEPQ-UHFFFAOYSA-N,DTXCID40974615,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"4-(1H-Imidazol-1-yl)-5,5-dimethylfuran-2(5H)-imine",CASRN:86790-59-2,DTXSID40518194,CC1(C)OC(=N)C=C1N1C=CN=C1,CC1(C)OC(=N)C=C1N1C=CN=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-9(2)7(5-8(10)13-9)12-4-3-11-6-12/h3-6,10H,1-2H3",SLYULNXYUCHOIJ-UHFFFAOYSA-N,DTXCID30974705,Public_Low,-,-,-,5,1,-,-,-,-,-,-
"2-Methoxy-4,6-dimethylimidazo[1,5-a]pyrimidine",CASRN:88875-17-6,DTXSID50518963,COC1=NC2=CN=C(C)N2C(C)=C1,COC1=NC2=CN=C(C)N2C(C)=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-6-4-9(13-3)11-8-5-10-7(2)12(6)8/h4-5H,1-3H3",IBNOFBJFEUNSRP-UHFFFAOYSA-N,DTXCID50469769,Public_Low,-,-,-,7,1,-,-,-,-,-,-
"4,6,8-Trimethylimidazo[1,5-a]pyrimidin-2(1H)-one",CASRN:88875-31-4,DTXSID00518978,CC1=NC(C)=C2NC(=O)C=C(C)N12,CC1=NC(C)=C2NC(=O)C=C(C)N12,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-5-4-8(13)11-9-6(2)10-7(3)12(5)9/h4H,1-3H3,(H,11,13)",WPZCQMKDPRVLHK-UHFFFAOYSA-N,DTXCID50469784,Public_Low,-,-,-,5,1,-,-,-,-,-,-
3-(Pyridin-3-yl)piperazin-2-one,CASRN:85607-66-5,DTXSID60519486,O=C1NCCNC1C1=CN=CC=C1,O=C1NCCNC1C1=CN=CC=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c13-9-8(11-4-5-12-9)7-2-1-3-10-6-7/h1-3,6,8,11H,4-5H2,(H,12,13)",XEQXRZQKEJDYSQ-UHFFFAOYSA-N,DTXCID70975099,Public_Low,-,-,-,15,1,-,-,-,-,-,-
"5,6,7-Trimethyl-2,6-dihydro-1H-pyrrolo[3,4-d]pyridazin-1-one",CASRN:90817-87-1,DTXSID30532480,CN1C(C)=C2C=NNC(=O)C2=C1C,CN1C(C)=C2CN=NC(=O)C2=C1C,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-5-7-4-10-11-9(13)8(7)6(2)12(5)3/h4H2,1-3H3",AOSXNLKNRBUFBJ-UHFFFAOYSA-N,DTXCID20979522,Public_Low,-,-,-,21,1,-,-,-,-,-,-
1-(1-Azidoethyl)-4-methoxybenzene,CASRN:91633-30-6,DTXSID90537057,COC1=CC=C(C=C1)C(C)N=[N+]=[N-],COC1=CC=C(C=C1)C(C)N=[N+]=[N-],C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-7(11-12-10)8-3-5-9(13-2)6-4-8/h3-7H,1-2H3",LXNPYQZBMRIOFT-UHFFFAOYSA-N,DTXCID801312779,Public_Low,-,-,-,5,1,-,-,-,-,-,-
1-(4-Aminophenyl)imidazolidin-2-one,CASRN:89518-99-0,DTXSID70548484,NC1=CC=C(C=C1)N1CCNC1=O,NC1=CC=C(C=C1)N1CCNC1=O,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c10-7-1-3-8(4-2-7)12-6-5-11-9(12)13/h1-4H,5-6,10H2,(H,11,13)",SLJMZNOYNSCQNU-UHFFFAOYSA-N,DTXCID50499268,Public_Low,-,-,-,26,1,-,-,-,-,-,-
"1-Ethyl-4-(methylamino)-2-oxo-1,2-dihydropyridine-3-carbonitrile",CASRN:62617-52-1,DTXSID00556613,CCN1C=CC(NC)=C(C#N)C1=O,CCN1C=CC(=NC)C(C#N)C1=O,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-3-12-5-4-8(11-2)7(6-10)9(12)13/h4-5,7H,3H2,1-2H3",RMFVEHSBRCVVKW-UHFFFAOYSA-N,DTXCID601259262,Public_Low,-,-,-,8,1,-,-,-,-,-,-
"4-(Dimethylamino)-1-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile",CASRN:62617-40-7,DTXSID60556619,CN(C)C1=C(C#N)C(=O)N(C)C=C1,CN(C)C1=C(C#N)C(=O)N(C)C=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-11(2)8-4-5-12(3)9(13)7(8)6-10/h4-5H,1-3H3",NUAGETVSKYHRCZ-UHFFFAOYSA-N,DTXCID80507401,Public_Low,-,-,-,8,1,-,-,-,-,-,-
"6,7-Diamino-3,4-dihydroquinolin-2(1H)-one",CASRN:104479-33-6,DTXSID50566601,NC1=C(N)C=C2NC(=O)CCC2=C1,NC1=C(N)C=C2NC(=O)CCC2=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c10-6-3-5-1-2-9(13)12-8(5)4-7(6)11/h3-4H,1-2,10-11H2,(H,12,13)",JQTWFKYZSNCNOE-UHFFFAOYSA-N,DTXCID10517376,Public_Low,-,-,-,15,1,-,-,-,-,-,-
"4-Methyl-3,4-dihydropyrido[2,3-b]pyrazine-1(2H)-carbaldehyde",CASRN:138768-67-9,DTXSID30577593,CN1CCN(C=O)C2=C1N=CC=C2,CN1CCN(C=O)C2=C1N=CC=C2,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-11-5-6-12(7-13)8-3-2-4-10-9(8)11/h2-4,7H,5-6H2,1H3",QHJNZJGXNJYVGW-UHFFFAOYSA-N,DTXCID90528364,Public_Low,-,-,-,8,1,-,-,-,-,-,-
"3,4,5,8,9,9a-Hexahydro-7H-imidazo[4,5-g]indolizin-7-one",CASRN:193208-83-2,DTXSID70578862,O=C1CCC2N1CCC1=C2N=CN1,O=C1CCC2N1CCC1=C2N=CN1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c13-8-2-1-7-9-6(10-5-11-9)3-4-12(7)8/h5,7H,1-4H2,(H,10,11)",JSYOMXUUMNHGJO-UHFFFAOYSA-N,DTXCID30948481,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"4-Amino-5,6-dimethyl-1,3-dihydro-2H-benzimidazol-2-one",CASRN:954848-91-0,DTXSID40589905,CC1=CC2=C(NC(=O)N2)C(N)=C1C,CC1=CC2=C(NC(=O)N2)C(N)=C1C,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-4-3-6-8(7(10)5(4)2)12-9(13)11-6/h3H,10H2,1-2H3,(H2,11,12,13)",DGQVAHDCDCCGBQ-UHFFFAOYSA-N,DTXCID10540669,Public_Low,-,-,-,21,1,-,-,-,-,-,-
4-(Pyridin-4-yl)piperazin-2-one,CASRN:166953-18-0,DTXSID90596467,O=C1CN(CCN1)C1=CC=NC=C1,O=C1CN(CCN1)C1=CC=NC=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c13-9-7-12(6-5-11-9)8-1-3-10-4-2-8/h1-4H,5-7H2,(H,11,13)",WCDFJPZJXVQWQQ-UHFFFAOYSA-N,DTXCID60547229,Public_Low,-,-,-,15,1,-,-,-,-,-,-
"3,6-Dimethyl-3,4-dihydropyrido[2,3-b]pyrazin-2(1H)-one",CASRN:159104-35-5,DTXSID90601383,CC1NC2=C(NC1=O)C=CC(C)=N2,CC1NC2=C(NC1=O)C=CC(C)=N2,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-5-3-4-7-8(10-5)11-6(2)9(13)12-7/h3-4,6H,1-2H3,(H,10,11)(H,12,13)",SNEUWCOJEUGPFV-UHFFFAOYSA-N,DTXCID70864676,Public_Low,-,-,-,12,1,-,-,-,-,-,-
1-(Pyridin-3-yl)piperazin-2-one,CASRN:345311-00-4,DTXSID70619047,O=C1CNCCN1C1=CN=CC=C1,O=C1CNCCN1C1=CN=CC=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c13-9-7-11-4-5-12(9)8-2-1-3-10-6-8/h1-3,6,11H,4-5,7H2",LCLQIOFEFBAKAH-UHFFFAOYSA-N,DTXCID20569801,Public_Low,-,-,-,20,1,-,-,-,-,-,-
1-(Pyridin-2-yl)piperazin-2-one,CASRN:345310-98-7,DTXSID30619048,O=C1CNCCN1C1=CC=CC=N1,O=C1CNCCN1C1=CC=CC=N1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c13-9-7-10-5-6-12(9)8-3-1-2-4-11-8/h1-4,10H,5-7H2",YAXQKAGUVNHYNL-UHFFFAOYSA-N,DTXCID80569802,Public_Low,-,-,-,32,1,-,-,-,-,-,-
"1,6-Dimethyl-1,4-dihydropyrido[2,3-b]pyrazin-3(2H)-one",CASRN:689259-31-2,DTXSID50620313,CN1CC(=O)NC2=C1C=CC(C)=N2,CN1CC(=O)NC2=C1C=CC(C)=N2,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-6-3-4-7-9(10-6)11-8(13)5-12(7)2/h3-4H,5H2,1-2H3,(H,10,11,13)",ULIRNLABVGLNEB-UHFFFAOYSA-N,DTXCID40571067,Public_Low,-,-,-,12,1,-,-,-,-,-,-
1-(Pyridin-4-yl)piperazin-2-one,CASRN:374795-64-9,DTXSID30620735,O=C1CNCCN1C1=CC=NC=C1,O=C1CNCCN1C1=CC=NC=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c13-9-7-11-5-6-12(9)8-1-3-10-4-2-8/h1-4,11H,5-7H2",YICVQHIYWACOHK-UHFFFAOYSA-N,DTXCID20571489,Public_Low,-,-,-,18,1,-,-,-,-,-,-
2-(Pyrrolidin-1-yl)pyrimidine-5-carbaldehyde,CASRN:937796-10-6,DTXSID40640469,O=CC1=CN=C(N=C1)N1CCCC1,O=CC1=CN=C(N=C1)N1CCCC1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c13-7-8-5-10-9(11-6-8)12-3-1-2-4-12/h5-7H,1-4H2",KJMKROLYLRRJDN-UHFFFAOYSA-N,DTXCID40591220,Public_Low,-,-,-,45,2,-,-,-,-,-,-
1-(3-Aminophenyl)imidazolidin-2-one,CASRN:938459-14-4,DTXSID40640702,NC1=CC(=CC=C1)N1CCNC1=O,NC1=CC(=CC=C1)N1CCNC1=O,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c10-7-2-1-3-8(6-7)12-5-4-11-9(12)13/h1-3,6H,4-5,10H2,(H,11,13)",BPKSYMQSNOQBGA-UHFFFAOYSA-N,DTXCID50591453,Public_Low,-,-,-,36,1,-,-,-,-,-,-
"1-Propyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one",CASRN:1016230-29-7,DTXSID80647619,CCCN1NC(=O)C2=C1N=CC=C2,CCCN1NC(=O)C2=C1N=CC=C2,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-2-6-12-8-7(9(13)11-12)4-3-5-10-8/h3-5H,2,6H2,1H3,(H,11,13)",UDTBMEXYHLZZGQ-UHFFFAOYSA-N,DTXCID40598370,Public_Low,-,-,-,19,1,-,-,-,-,-,-
"(2R)-1,2,3,4-Tetrahydroquinoxaline-2-carboxamide",CASRN:49849-48-1,DTXSID70653188,NC(=O)[C@H]1CNC2=CC=CC=C2N1,NC(=O)C1CNC2=CC=CC=C2N1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c10-9(13)8-5-11-6-3-1-2-4-7(6)12-8/h1-4,8,11-12H,5H2,(H2,10,13)",XUUYVFJOLKENPD-UHFFFAOYSA-N,DTXCID20882709,Public_Low,-,-,-,8,1,-,-,-,-,-,-
2-(5-Amino-1H-indazol-1-yl)ethan-1-ol,CASRN:885270-96-2,DTXSID80657233,NC1=CC2=C(C=C1)N(CCO)N=C2,NC1=CC2=C(C=C1)N(CCO)N=C2,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c10-8-1-2-9-7(5-8)6-11-12(9)3-4-13/h1-2,5-6,13H,3-4,10H2",DKIVBAYGSPWLJA-UHFFFAOYSA-N,DTXCID10607983,Public_Low,-,-,-,61,2,-,-,-,-,-,-
"4-Ethyl-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one",CASRN:86969-25-7,DTXSID70658178,CCN1C=CC(=O)N2N=C(C)C=C12,CCN1C=CC(=O)N2N=C(C)C=C12,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-3-11-5-4-9(13)12-8(11)6-7(2)10-12/h4-6H,3H2,1-2H3",XYVILBTXXYZRJG-UHFFFAOYSA-N,DTXCID80608927,Public_Low,-,-,-,8,2,-,-,-,-,-,-
2-(Pyrrolidin-1-yl)pyrimidine-4-carbaldehyde,CASRN:944901-16-0,DTXSID50660057,O=CC1=NC(=NC=C1)N1CCCC1,O=CC1=NC(=NC=C1)N1CCCC1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c13-7-8-3-4-10-9(11-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2",WTCDIWZJLNIYMU-UHFFFAOYSA-N,DTXCID60610806,Public_Low,-,-,-,12,1,-,-,-,-,-,-
"2-Methyl-1-nitroso-1,2,3,4-tetrahydroquinoxaline",CASRN:109055-60-9,DTXSID40668047,CC1CNC2=CC=CC=C2N1N=O,CC1CNC2=CC=CC=C2N1N=O,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-7-6-10-8-4-2-3-5-9(8)12(7)11-13/h2-5,7,10H,6H2,1H3",IPOJTNNASQHAIL-UHFFFAOYSA-N,DTXCID40887130,Public_Low,-,-,-,7,1,-,-,-,-,-,-
"5-Amino-3-methyl-3,4-dihydroquinoxalin-2(1H)-one",CASRN:41740-43-6,DTXSID70668055,CC1NC2=C(N)C=CC=C2NC1=O,CC1NC2=C(N)C=CC=C2NC1=O,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-5-9(13)12-7-4-2-3-6(10)8(7)11-5/h2-5,11H,10H2,1H3,(H,12,13)",GYUVGPGKWRYRNT-UHFFFAOYSA-N,DTXCID60887132,Public_Low,-,-,-,8,1,-,-,-,-,-,-
5-Methyl-2-oxo-3-propylpyrazine-1(2H)-carbonitrile,CASRN:37899-76-6,DTXSID30668056,CCCC1=NC(C)=CN(C#N)C1=O,CCCC1=NC(C)=CN(C#N)C1=O,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-3-4-8-9(13)12(6-10)5-7(2)11-8/h5H,3-4H2,1-2H3",KWFXFGHFLSMZDJ-UHFFFAOYSA-N,DTXCID40618805,Public_Low,-,-,-,8,1,-,-,-,-,-,-
"6-Amino-3-methyl-3,4-dihydroquinoxalin-2(1H)-one",CASRN:19801-06-0,DTXSID90668057,CC1NC2=C(NC1=O)C=CC(N)=C2,CC1NC2=CC(N)=CC=C2NC1=O,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-5-9(13)12-7-3-2-6(10)4-8(7)11-5/h2-5,11H,10H2,1H3,(H,12,13)",RAJUFUMGKYBRJO-UHFFFAOYSA-N,DTXCID20887133,Public_Low,-,-,-,8,1,-,-,-,-,-,-
"7-Amino-3-methyl-3,4-dihydroquinoxalin-2(1H)-one",CASRN:4244-34-2,DTXSID50668058,CC1NC2=C(NC1=O)C=C(N)C=C2,CC1NC2=CC=C(N)C=C2NC1=O,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-5-9(13)12-8-4-6(10)2-3-7(8)11-5/h2-5,11H,10H2,1H3,(H,12,13)",IGXSHOLMHOPGEQ-UHFFFAOYSA-N,DTXCID80887134,Public_Low,-,-,-,7,1,-,-,-,-,-,-
2-(5-Amino-2H-indazol-2-yl)ethan-1-ol,CASRN:1105187-46-9,DTXSID70676655,NC1=CC2=CN(CCO)N=C2C=C1,NC1=CC2=CN(CCO)N=C2C=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c10-8-1-2-9-7(5-8)6-12(11-9)3-4-13/h1-2,5-6,13H,3-4,10H2",UZVCEOMENYALEB-UHFFFAOYSA-N,DTXCID10627404,Public_Low,-,-,-,38,1,-,-,-,-,-,-
1-(6-Methoxy-1H-benzimidazol-2-yl)methanamine--hydrogen chloride (1/2),CASRN:175530-52-6,DTXSID40677598,Cl.Cl.COC1=CC2=C(C=C1)N=C(CN)N2,COC1=CC=C2N=C(CN)NC2=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-13-6-2-3-7-8(4-6)12-9(5-10)11-7/h2-4H,5,10H2,1H3,(H,11,12)",FVXQBRISRBHAAL-UHFFFAOYSA-N,DTXCID50889524,Public_Low,-,-,-,12,1,-,-,-,-,-,-
5-Methoxy-N-methyl-1H-indazol-3-amine,CASRN:885271-81-8,DTXSID00696205,CNC1=NNC2=C1C=C(OC)C=C2,CNC1=NNC2=C1C=C(OC)C=C2,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-10-9-7-5-6(13-2)3-4-8(7)11-12-9/h3-5H,1-2H3,(H2,10,11,12)",PGQWBEZSZLMLQV-UHFFFAOYSA-N,DTXCID70646954,Public_Low,-,-,-,11,1,-,-,-,-,-,-
6-Methoxy-N-methyl-1H-indazol-3-amine,CASRN:885271-66-9,DTXSID00696285,CNC1=NNC2=C1C=CC(OC)=C2,CNC1=NNC2=C1C=CC(OC)=C2,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-10-9-7-4-3-6(13-2)5-8(7)11-12-9/h3-5H,1-2H3,(H2,10,11,12)",FROFWVNLLKINIK-UHFFFAOYSA-N,DTXCID40647034,Public_Low,-,-,-,10,1,-,-,-,-,-,-
3-Azido-2-phenylpropan-1-ol,CASRN:55754-77-3,DTXSID50696876,OCC(CN=[N+]=[N-])C1=CC=CC=C1,OCC(CN=[N+]=[N-])C1=CC=CC=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c10-12-11-6-9(7-13)8-4-2-1-3-5-8/h1-5,9,13H,6-7H2",WLNLVSNSDSEXHT-UHFFFAOYSA-N,DTXCID301288113,Public_Low,-,-,-,4,1,-,-,-,-,-,-
3-(Dimethylamino)-1-(pyrimidin-5-yl)prop-2-en-1-one,CASRN:641615-34-1,DTXSID70697709,CN(C)C=CC(=O)C1=CN=CN=C1,CN(C)C=CC(=O)C1=CN=CN=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-12(2)4-3-9(13)8-5-10-7-11-6-8/h3-7H,1-2H3",GNNGOBBGXHJRBH-UHFFFAOYSA-N,DTXCID70648458,Public_Low,-,-,-,11,1,-,-,-,-,-,-
1-(2-Aminoethyl)-1H-indazol-5-ol,CASRN:885270-94-0,DTXSID60697930,NCCN1N=CC2=C1C=CC(O)=C2,NCCN1N=CC2=C1C=CC(O)=C2,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c10-3-4-12-9-2-1-8(13)5-7(9)6-11-12/h1-2,5-6,13H,3-4,10H2",ORNIXAOTPLDDDV-UHFFFAOYSA-N,DTXCID10648679,Public_Low,-,-,-,12,1,-,-,-,-,-,-
"8-Amino-1-methyl-3,4-dihydroquinazolin-2(1H)-one",CASRN:1253225-81-8,DTXSID20725607,CN1C(=O)NCC2=C1C(N)=CC=C2,CN1C(=O)NCC2=C1C(N)=CC=C2,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-12-8-6(5-11-9(12)13)3-2-4-7(8)10/h2-4H,5,10H2,1H3,(H,11,13)",IRNNNUOJKHBGLS-UHFFFAOYSA-N,DTXCID70676352,Public_Low,-,-,-,3,1,-,-,-,-,-,-
"5-Amino-1-methyl-3,4-dihydroquinazolin-2(1H)-one",CASRN:1042973-83-0,DTXSID80725608,CN1C(=O)NCC2=C(N)C=CC=C12,CN1C(=O)NCC2=C(N)C=CC=C12,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-12-8-4-2-3-7(10)6(8)5-11-9(12)13/h2-4H,5,10H2,1H3,(H,11,13)",UNNHPBKQJQMOBS-UHFFFAOYSA-N,DTXCID30676353,Public_Low,-,-,-,9,1,-,-,-,-,-,-
"7-Amino-3-methyl-3,4-dihydroquinazolin-2(1H)-one",CASRN:1042972-70-2,DTXSID40725609,CN1CC2=C(NC1=O)C=C(N)C=C2,CN1CC2=C(NC1=O)C=C(N)C=C2,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-12-5-6-2-3-7(10)4-8(6)11-9(12)13/h2-4H,5,10H2,1H3,(H,11,13)",PRDKTOXERVLVCK-UHFFFAOYSA-N,DTXCID90676354,Public_Low,-,-,-,10,1,-,-,-,-,-,-
1-(2-Azidoethyl)-2-methoxybenzene,CASRN:823189-07-7,DTXSID40733865,COC1=CC=CC=C1CCN=[N+]=[N-],COC1=CC=CC=C1CCN=[N+]=[N-],C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-13-9-5-3-2-4-8(9)6-7-11-12-10/h2-5H,6-7H2,1H3",FOVWAHFLMWJOMT-UHFFFAOYSA-N,DTXCID20684609,Public_Low,-,-,-,7,2,-,-,-,-,-,-
"1-Propyl-1,3-dihydro-2H-imidazo[4,5-c]pyridin-2-one",CASRN:918152-23-5,DTXSID50741815,CCCN1C(=O)NC2=C1C=CN=C2,CCCN1C(=O)NC2=C1C=CN=C2,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-2-5-12-8-3-4-10-6-7(8)11-9(12)13/h3-4,6H,2,5H2,1H3,(H,11,13)",NMRQQDBROYGLAX-UHFFFAOYSA-N,DTXCID90692559,Public_Low,-,-,-,5,1,-,-,-,-,-,-
"4-(4,5-Dihydro-1,3-oxazol-2-yl)benzene-1,2-diamine",CASRN:89880-99-9,DTXSID60755887,NC1=C(N)C=C(C=C1)C1=NCCO1,NC1=C(N)C=C(C=C1)C1=NCCO1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c10-7-2-1-6(5-8(7)11)9-12-3-4-13-9/h1-2,5H,3-4,10-11H2",CNRFJJWAJVEXFA-UHFFFAOYSA-N,DTXCID00706631,Public_Low,-,-,-,5,1,-,-,-,-,-,-
"2-Amino-3-methyl-2,3-dihydroquinazolin-4(1H)-one",CASRN:91810-61-6,DTXSID00757461,CN1C(N)NC2=CC=CC=C2C1=O,CN1C(N)NC2=CC=CC=C2C1=O,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-12-8(13)6-4-2-3-5-7(6)11-9(12)10/h2-5,9,11H,10H2,1H3",COSHFYCAJREVRV-UHFFFAOYSA-N,DTXCID90847749,Public_Low,-,-,-,5,1,-,-,-,-,-,-
"2-[(Spiro[2.4]hepta-4,6-dien-1-yl)methylidene]hydrazine-1-carboxamide",CASRN:93093-54-0,DTXSID50758423,NC(=O)NN=CC1CC11C=CC=C1,NC(=O)N=NCC1CC11C=CC=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c10-8(13)12-11-6-7-5-9(7)3-1-2-4-9/h1-4,7H,5-6H2,(H2,10,13)",URJOSIIVYQCTSP-UHFFFAOYSA-N,DTXCID801041596,Public_Low,-,-,-,5,1,-,-,-,-,-,-
[(E)-(Propan-2-yl)diazenyl](pyridin-4-yl)methanone,CASRN:95654-15-2,DTXSID60759663,CC(C)\\N=N\\C(=O)C1=CC=NC=C1,CC(C)N=NC(=O)C1=CC=NC=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7H,1-2H3",BNPCQXNWPYBOKR-UHFFFAOYSA-N,DTXCID601041726,Public_Low,-,-,-,5,1,-,-,-,-,-,-
2-(2-Phenylethylidene)hydrazine-1-carboxamide,CASRN:1722-94-7,DTXSID50778287,NC(=O)NN=CCC1=CC=CC=C1,NC(=O)N=NCCC1=CC=CC=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c10-9(13)12-11-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,13)",JTXKCMJCLYETJP-UHFFFAOYSA-N,DTXCID401043326,Public_Low,-,-,-,5,1,-,-,-,-,-,-
"5-Amino-3-methyl-4-phenyl-2,3-dihydro-1,2,3-oxadiazol-2-ium chloride",CASRN:155331-58-1,DTXSID60778798,[Cl-].CN1[NH2+]OC(N)=C1C1=CC=CC=C1,CN1NOC(=N)C1C1=CC=CC=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-12-8(9(10)13-11-12)7-5-3-2-4-6-7/h2-6,8,10-11H,1H3",AQJNIUYETIBZGL-UHFFFAOYSA-N,DTXCID401130525,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"6,8-Diamino-3,4-dihydroquinolin-2(1H)-one",CASRN:651329-25-8,DTXSID90799512,NC1=CC2=C(NC(=O)CC2)C(N)=C1,NC1=CC2=C(NC(=O)CC2)C(N)=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c10-6-3-5-1-2-8(13)12-9(5)7(11)4-6/h3-4H,1-2,10-11H2,(H,12,13)",IVJANXLZNTVIIU-UHFFFAOYSA-N,DTXCID00750255,Public_Low,-,-,-,5,1,-,-,-,-,-,-
1-{2-[(2E)-3-Methyltriaz-2-en-1-yl]phenyl}ethan-1-one,CASRN:62606-21-7,DTXSID30806936,C\\N=N\\NC1=CC=CC=C1C(C)=O,C\\N=N\\NC1=CC=CC=C1C(C)=O,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-7(13)8-5-3-4-6-9(8)11-12-10-2/h3-6H,1-2H3,(H,10,11)",ADXRVUWCZMNKDM-UHFFFAOYSA-N,DTXCID10757679,Public_Low,-,-,-,4,1,-,-,-,-,-,-
"[(4,5,6,7-Tetrahydro-1H-indazol-3-yl)oxy]acetonitrile",CASRN:61088-04-8,DTXSID60820847,N#CCOC1=NNC2=C1CCCC2,N#CCOC1=NNC2=C1CCCC2,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c10-5-6-13-9-7-3-1-2-4-8(7)11-12-9/h1-4,6H2,(H,11,12)",WBCGCZNXBGIWJO-UHFFFAOYSA-N,DTXCID80771589,Public_Low,-,-,-,4,1,-,-,-,-,-,-
1-(3-HYDROXYPROPYL)BENZOTRIAZOLE,CASRN:69218-34-4,DTXSID00879490,OCCCN1N=NC2=CC=CC=C12,OCCCN1N=NC2=CC=CC=C12,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c13-7-3-6-12-9-5-2-1-4-8(9)10-11-12/h1-2,4-5,13H,3,6-7H2",DSNMGXKSVFQPJT-UHFFFAOYSA-N,DTXCID701017500,Public_Low,-,-,-,-,3,-,-,-,-,-,-
2-(1-Phenylethylidene)hydrazine-1-carboximidic acid,CASRN:2492-30-0,DTXSID80947803,CC(=NNC(O)=N)C1=CC=CC=C1,CC(N=NC(O)=N)C1=CC=CC=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-7(11-12-9(10)13)8-5-3-2-4-6-8/h2-7H,1H3,(H2,10,13)",TTYSLAOMICKZRD-UHFFFAOYSA-N,DTXCID101452221,Public_Low,-,-,-,-,2,-,-,-,-,-,-
[(1-Methyl-1H-benzimidazol-2-yl)methoxy]ammonium chloride--hydrogen chloride (1/1/1),CASRN:27243-71-6,DTXSID80949968,Cl.[Cl-].CN1C(CO[NH3+])=NC2=CC=CC=C12,CN1C(CON)=NC2=C1C=CC=C2,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-12-8-5-3-2-4-7(8)11-9(12)6-13-10/h2-5H,6,10H2,1H3",FWOFPXVVUMLSCV-UHFFFAOYSA-N,DTXCID801452808,Public_Low,-,-,-,-,2,-,-,-,-,-,-
2-[(4-Methylphenyl)methylidene]hydrazine-1-carboximidic acid,CASRN:3030-95-3,DTXSID10952667,CC1=CC=C(C=NNC(O)=N)C=C1,CC1=CC=C(CN=NC(O)=N)C=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-7-2-4-8(5-3-7)6-11-12-9(10)13/h2-5H,6H2,1H3,(H2,10,13)",VVUNOJFXBHYWAB-UHFFFAOYSA-N,DTXCID201453589,Public_Low,-,-,-,-,2,-,-,-,-,-,-
2-Benzylidene-N-methylhydrazine-1-carboximidic acid,CASRN:40848-87-1,DTXSID40961262,CN=C(O)NN=CC1=CC=CC=C1,CN=C(O)N=NCC1=CC=CC=C1,C9H11N3O,177.090212,"InChI=1S/C9H11N3O/c1-10-9(13)12-11-7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,10,13)",GONDOQKYAJRHQQ-UHFFFAOYSA-N,DTXCID701456164,Public_Low,-,-,-,-,2,-,-,-,-,-,-
Tributyltetradecylphosphonium dodecylbenzenesulfonate,CASRN:817629-57-5,DTXSID2049391,CCCCCCCCCCCCC1=CC=CC=C1S([O-])(=O)=O.CCCCCCCCCCCCCC[P+](CCCC)(CCCC)CCCC,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,DSSTox_Low,-,60.95238095,-,5,9,-,1,-,-,-,-
"Benzenesulfonic acid, 4-(1-methylundecyl)-, sodium salt",CASRN:2211-99-6,DTXSID00274022,[Na+].CCCCCCCCCCC(C)C1=CC=C(C=C1)S([O-])(=O)=O,CCCCCCCCCCC(C)C1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-3-4-5-6-7-8-9-10-11-16(2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)",CJTZDYDOPZRFTF-UHFFFAOYSA-N,DTXCID30196501,DSSTox_High,-,-,-,12,12,-,-,1,-,-,1
Sodium 4-(1-ethyldecyl)benzenesulfonate,CASRN:2212-50-2,DTXSID1058711,[Na+].CCCCCCCCCC(CC)C1=CC=C(C=C1)S([O-])(=O)=O,CCCCCCCCCC(CC)C1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-3-5-6-7-8-9-10-11-16(4-2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)",QJRVOJKLQNSNDB-UHFFFAOYSA-N,DTXCID307923,DSSTox_High,-,-,-,22,8,-,-,-,-,-,-
"4-(Dodecan-3-yl)benzene-1-sulfonic acid,propan-2-amine (1:1)",CASRN:1135094-12-0,DTXSID00873438,CC(C)N.CCCCCCCCCC(CC)C1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCC(CC)C1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-3-5-6-7-8-9-10-11-16(4-2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)",QJRVOJKLQNSNDB-UHFFFAOYSA-N,DTXCID307923,DSSTox_High,-,-,-,-,3,-,-,-,-,-,-
"4-(3-Dodecanyl)benzenesulfonate, calcium salt",CASRN:NOCAS_58669,DTXSID8058669,[Ca++].CCCCCCCCCC(CC)C1=CC=C(C=C1)S([O-])(=O)=O.CCCCCCCCCC(CC)C1=CC=C(C=C1)S([O-])(=O)=O,CCCCCCCCCC(CC)C1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-3-5-6-7-8-9-10-11-16(4-2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)",QJRVOJKLQNSNDB-UHFFFAOYSA-N,DTXCID307923,Public_Low,-,-,-,7,3,-,-,-,-,-,-
4-(3-Dodecanyl)benzenesulfonic acid,CASRN:18777-54-3,DTXSID7058670,CCCCCCCCCC(CC)C1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCC(CC)C1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-3-5-6-7-8-9-10-11-16(4-2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)",QJRVOJKLQNSNDB-UHFFFAOYSA-N,DTXCID307923,DSSTox_High,-,-,-,25,12,-,-,1,1,-,1
"4-(4,6,8-Trimethyl-3-nonanyl)benzenesulfonic acid",CASRN:742022-24-8,DTXSID7058674,CCC(C(C)CC(C)CC(C)C)C1=CC=C(C=C1)S(O)(=O)=O,CCC(C(C)CC(C)CC(C)C)C1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-6-18(15(5)12-14(4)11-13(2)3)16-7-9-17(10-8-16)22(19,20)21/h7-10,13-15,18H,6,11-12H2,1-5H3,(H,19,20,21)",IMRAQEPVUVPOHG-UHFFFAOYSA-N,DTXCID708475,DSSTox_High,-,-,-,8,4,-,-,-,-,-,-
"4-(4,6,8-Trimethyl-3-nonanyl)benzenesulfate, calcium salt",CASRN:NOCAS_58678,DTXSID7058678,[Ca++].CCC(C(C)CC(C)CC(C)C)C1=CC=C(C=C1)S([O-])(=O)=O.CCC(C(C)CC(C)CC(C)C)C1=CC=C(C=C1)S([O-])(=O)=O,CCC(C(C)CC(C)CC(C)C)C1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-6-18(15(5)12-14(4)11-13(2)3)16-7-9-17(10-8-16)22(19,20)21/h7-10,13-15,18H,6,11-12H2,1-5H3,(H,19,20,21)",IMRAQEPVUVPOHG-UHFFFAOYSA-N,DTXCID708475,Public_Low,-,-,-,5,3,-,-,-,-,-,-
Potassium 4-(dodecan-3-yl)benzene-1-sulfonate,CASRN:1135281-36-5,DTXSID50880399,[K+].CCCCCCCCCC(CC)C1=CC=C(C=C1)S([O-])(=O)=O,CCCCCCCCCC(CC)C1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-3-5-6-7-8-9-10-11-16(4-2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)",QJRVOJKLQNSNDB-UHFFFAOYSA-N,DTXCID307923,DSSTox_High,-,-,-,-,3,-,-,-,-,-,-
"Sodium 4-(4,6,8-trimethylnonan-3-yl)benzene-1-sulfonate",CASRN:106461-95-4,DTXSID60880441,[Na+].CCC(C(C)CC(C)CC(C)C)C1=CC=C(C=C1)S([O-])(=O)=O,CCC(C(C)CC(C)CC(C)C)C1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-6-18(15(5)12-14(4)11-13(2)3)16-7-9-17(10-8-16)22(19,20)21/h7-10,13-15,18H,6,11-12H2,1-5H3,(H,19,20,21)",IMRAQEPVUVPOHG-UHFFFAOYSA-N,DTXCID708475,DSSTox_High,-,-,-,-,3,-,-,-,-,-,-
Magnesium bis[4-(dodecan-3-yl)benzene-1-sulfonate],CASRN:NOCAS_891314,DTXSID00891314,[Mg++].CCCCCCCCCC(CC)C1=CC=C(C=C1)S([O-])(=O)=O.CCCCCCCCCC(CC)C1=CC=C(C=C1)S([O-])(=O)=O,CCCCCCCCCC(CC)C1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-3-5-6-7-8-9-10-11-16(4-2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)",QJRVOJKLQNSNDB-UHFFFAOYSA-N,DTXCID307923,DSSTox_Low,-,-,-,-,3,-,-,-,-,-,-
Sodium o-dodecylbenzenesulfonate,CASRN:15163-46-9,DTXSID0041642,[Na+].CCCCCCCCCCCCC1=CC=CC=C1S([O-])(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,DSSTox_High,-,-,-,42,12,-,-,-,-,-,-
"Benzenesulfonic acid, 3-dodecyl-, sodium salt",CASRN:19589-59-4,DTXSID0041644,[Na+].CCCCCCCCCCCCC1=CC(=CC=C1)S([O-])(=O)=O,CCCCCCCCCCCCC1=CC(=CC=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(16-17)22(19,20)21/h12,14-16H,2-11,13H2,1H3,(H,19,20,21)",HRPQWSOMACYCRG-UHFFFAOYSA-N,DTXCID00196912,DSSTox_Low,-,-,-,17,11,-,-,-,-,-,-
4-(Dodecan-6-yl)benzenesulfonic acid - 2-aminoethanol (1:1),CASRN:NOCAS_892081,DTXSID80892081,NCCO.CCCCCCC(CCCCC)C1=CC=C(C=C1)S(O)(=O)=O,CCCCCCC(CCCCC)C1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-3-5-7-9-11-16(10-8-6-4-2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)",GHNRTXCRBJQVGN-UHFFFAOYSA-N,DTXCID90197377,DSSTox_Low,-,-,-,-,2,-,-,-,-,-,-
4-(Dodecan-6-yl)benzenesulfonic acid - morpholine (1:1),CASRN:NOCAS_892082,DTXSID40892082,C1COCCN1.CCCCCCC(CCCCC)C1=CC=C(C=C1)S(O)(=O)=O,CCCCCCC(CCCCC)C1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-3-5-7-9-11-16(10-8-6-4-2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)",GHNRTXCRBJQVGN-UHFFFAOYSA-N,DTXCID90197377,DSSTox_Low,-,-,-,-,2,-,-,-,-,-,-
4-Dodecylbenzenesulfonic acid,CASRN:121-65-3,DTXSID8050443,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,DSSTox_High,-,-,-,56,28,-,-,1,1,-,1
"2-Dodecylbenzenesulfonic acid- n-(2-aminoethyl)ethane-1,2-diamine(1:1)",CASRN:40139-72-8,DTXSID9052761,NCCNCCN.CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,DSSTox_Low,-,-,-,-,10,-,-,-,-,-,-
Sodium 4-dodecylbenzenesulfonate,CASRN:2211-98-5,DTXSID9042413,[Na+].CCCCCCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,DSSTox_High,-,-,-,37,22,-,-,1,1,-,1
"Benzenesulfonic acid, 4-dodecyl-, compd. with 4-(phenylazo)-1,3-benzenediamine (1:1)",CASRN:110152-60-8,DTXSID9073048,NC1=CC(N)=C(C=C1)N=NC1=CC=CC=C1.CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_High,-,-,-,4,5,-,-,-,-,-,-
"Benzenesulfonic acid, dodecyl-, compd. with 1,2-ethanediamine (2:1)",CASRN:12068-06-3,DTXSID8065244,NCCN.CCCCCCCCCCCCC1=C(C=CC=C1)S(O)(=O)=O.CCCCCCCCCCCCC1=C(C=CC=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,Public_High,-,-,-,12,10,-,-,-,-,-,-
"Benzenesulfonic acid, dodecyl ester, compd. with 4-(phenylazo)-1,3-benzenediamine (1:1)",CASRN:121734-16-5,DTXSID0073089,NC1=CC(N)=C(C=C1)N=NC1=CC=CC=C1.CCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1,CCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(19,20)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3",YRIUSKIDOIARQF-UHFFFAOYSA-N,DTXCID7075842,Public_High,-,-,-,4,5,-,-,-,-,-,-
Butylamine 4-dodecylbenzenesulfonate (1:1),CASRN:14356-36-6,DTXSID5074260,CCCCN.CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_High,-,-,-,9,6,-,-,-,-,-,-
"Benzenesulfonic acid, 4-dodecyl-, compd. with cyclohexanamine (1:1)",CASRN:14356-38-8,DTXSID2065759,NC1CCCCC1.CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_High,-,-,-,13,10,-,-,-,-,-,-
"Benzenesulfonic acid, 4-dodecyl-, potassium salt",CASRN:14564-74-0,DTXSID9065786,[K+].CCCCCCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_High,-,-,-,19,11,-,-,-,-,-,-
"Benzenesulfonic acid, dodecyl-, compd. with 1-pentanamine (1:1)",CASRN:29061-66-3,DTXSID9067433,CCCCCN.CCCCCCCCCCCCC1=C(C=CC=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,Public_High,-,-,-,11,5,-,-,-,-,-,-
"Benzenesulfonic acid, dodecyl-, compd. with ethanamine (1:1)",CASRN:35465-66-8,DTXSID0067923,CCN.CCCCCCCCCCCCC1=C(C=CC=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,Public_High,-,-,-,10,5,-,-,-,-,-,-
"Benzenesulfonic acid, dodecyl-, compd. with 2-amino-2-methyl-1-propanol (1:1)",CASRN:37475-84-6,DTXSID9068031,CC(C)(N)CO.CCCCCCCCCCCCC1=C(C=CC=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,Public_High,-,-,-,13,13,-,-,-,-,-,-
"N,N-Dimethyl-1,3-propandiamine 4-dodecylbenzenesulfonate (1:1)",CASRN:55470-69-4,DTXSID5074264,CN(C)CCCN.CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_High,-,-,-,9,7,-,-,-,-,-,-
"Benzenesulfonic acid, 4-dodecyl-, compd. with 2-aminoethanol (1:1)",CASRN:58089-99-9,DTXSID8069226,NCCO.CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_High,-,-,-,16,16,-,-,-,-,-,-
"Benzenesulfonic acid, 4-dodecyl-, compd. with 4,4'-carbonimidoylbis[N,N-dimethylbenzenamine] (1:1)",CASRN:63589-43-5,DTXSID0069963,CN(C)C1=CC=C(C=C1)C(=N)C1=CC=C(C=C1)N(C)C.CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_High,-,-,-,9,5,-,-,-,-,-,-
"Benzenesulfonic acid, 4-dodecyl-, compd. with 2,2'-iminobis[ethanol] (1:1)",CASRN:67815-95-6,DTXSID2070639,OCCNCCO.CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_High,-,-,-,9,5,-,-,-,-,-,-
"Benzenesulfonic acid, 4-dodecyl-, compd. with N-(2-aminoethyl)-1,2-ethanediamine (3:1)",CASRN:67924-18-9,DTXSID0070863,NCCNCCN.CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O.CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O.CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_High,-,-,-,9,5,-,-,-,-,-,-
"Benzenesulfonic acid, 4-dodecyl-, compd. with 2-[(2-aminoethyl)amino]ethanol (2:1)",CASRN:67924-20-3,DTXSID5070864,NCCNCCO.CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O.CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_High,-,-,-,7,6,-,-,-,-,-,-
"Benzenesulfonic acid, dodecyl-, compd. with 4,4-dimethyloxazolidine (1:1)",CASRN:68084-53-7,DTXSID7071078,CC1(C)COCN1.CCCCCCCCCCCCC1=C(C=CC=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,Public_High,-,-,-,11,13,-,-,-,-,-,-
"Benzenesulfonic acid, 3-dodecyl-, compd. with 2-aminoethanol (1:1)",CASRN:68110-32-7,DTXSID2071106,NCCO.CCCCCCCCCCCCC1=CC(=CC=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC(=CC=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(16-17)22(19,20)21/h12,14-16H,2-11,13H2,1H3,(H,19,20,21)",HRPQWSOMACYCRG-UHFFFAOYSA-N,DTXCID00196912,Public_High,-,-,-,11,5,-,-,-,-,-,-
Dodecyl benzenesulfonate,CASRN:121734-15-4,DTXSID30153351,CCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1,CCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(19,20)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3",YRIUSKIDOIARQF-UHFFFAOYSA-N,DTXCID7075842,Public_Medium,-,-,-,21,9,-,-,-,-,-,-
"Benzenesulfonic acid, tetrapropyl-",CASRN:137322-07-7,DTXSID80160136,CCCC1=CC(=C(CCC)C(CCC)=C1CCC)S(O)(=O)=O,CCCC1=CC(=C(CCC)C(CCC)=C1CCC)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-5-9-14-13-18(22(19,20)21)17(12-8-4)16(11-7-3)15(14)10-6-2/h13H,5-12H2,1-4H3,(H,19,20,21)",MZQKADNPDLDGJD-UHFFFAOYSA-N,DTXCID3082627,Public_Medium,-,-,-,12,3,-,-,-,-,-,-
4-Dodecylbenzenesulfonic acid isopropylamine salt,CASRN:14356-37-7,DTXSID60162456,CC(C)[NH3+].CCCCCCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,DSSTox_High,-,-,-,3,5,-,-,-,-,-,-
DBEDC,CASRN:61607-82-7,DTXSID80210625,[Cu++].NCCN.NCCN.CCCCCCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O.CCCCCCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_Medium,-,-,-,8,5,-,-,-,-,-,-
Carbendazim mixture with dodecylbenzenesulfonic acid,CASRN:64845-35-8,DTXSID00215137,COC(=O)NC1=NC2=CC=CC=C2N1.CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_Medium,-,-,-,9,3,-,-,-,-,-,-
"Benzenesulfonic acid, 4-dodecyl-, cerium(4+) salt, basic",CASRN:84238-45-9,DTXSID80233157,[Ce+4].CCCCCCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O.CCCCCCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O.CCCCCCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O.CCCCCCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_Medium,-,-,-,4,3,-,-,-,-,-,-
"Dodecylbenzenesulphonic acid, compound with 2-(dimethylamino)ethanol (1:1)",CASRN:94139-26-1,DTXSID40240807,CN(C)CCO.CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,Public_Medium,-,-,-,5,3,-,-,-,-,-,-
"Dodecylbenzenesulphonic acid, compound with diethylamine (1:1)",CASRN:94248-06-3,DTXSID60241275,CCNCC.CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,Public_Medium,-,-,-,5,3,-,-,-,-,-,-
Iminoctadine tris(albesilate),CASRN:99257-43-9,DTXSID20244005,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O.CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O.CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O.NC(N)=NCCCCCCCCNCCCCCCCCN=C(N)N,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,Public_Medium,-,-,-,5,8,-,-,1,-,-,-
2-Phenyldodecane-p-sulfonate,CASRN:18777-53-2,DTXSID40274021,CCCCCCCCCCC(C)C1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCCC(C)C1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-3-4-5-6-7-8-9-10-11-16(2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)",CJTZDYDOPZRFTF-UHFFFAOYSA-N,DTXCID30196501,DSSTox_High,-,-,-,12,4,-,-,1,-,-,-
2-Dodecylbenzenesulfonic acid,CASRN:47221-31-8,DTXSID10860152,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,DSSTox_High,-,-,-,51,7,-,-,-,-,-,-
3-Dodecylbenzene-1-sulfonic acid,CASRN:16577-13-2,DTXSID40860241,CCCCCCCCCCCCC1=CC(=CC=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC(=CC=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(16-17)22(19,20)21/h12,14-16H,2-11,13H2,1H3,(H,19,20,21)",HRPQWSOMACYCRG-UHFFFAOYSA-N,DTXCID00196912,DSSTox_High,-,-,-,14,5,-,-,1,-,-,-
4-(Dodecan-6-yl)benzene-1-sulfonic acid,CASRN:23003-92-1,DTXSID30860093,CCCCCCC(CCCCC)C1=CC=C(C=C1)S(O)(=O)=O,CCCCCCC(CCCCC)C1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-3-5-7-9-11-16(10-8-6-4-2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)",GHNRTXCRBJQVGN-UHFFFAOYSA-N,DTXCID90197377,DSSTox_High,-,-,-,11,8,-,-,-,-,-,1
"4-(2,4,6-Trimethylnonan-5-yl)benzenesulfonic acid",CASRN:NOCAS_861118,DTXSID00861118,CCCC(C)C(C(C)CC(C)C)C1=CC=C(C=C1)S(O)(=O)=O,CCCC(C)C(C(C)CC(C)C)C1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-6-7-14(4)18(15(5)12-13(2)3)16-8-10-17(11-9-16)22(19,20)21/h8-11,13-15,18H,6-7,12H2,1-5H3,(H,19,20,21)",VSFSLMPEFAATIN-UHFFFAOYSA-N,DTXCID60208565,DSSTox_Low,-,-,-,-,2,-,-,-,-,-,-
4-dodecylbenzenesulfonic acid- benzyl carbamimidothioate(1:1),CASRN:31261-59-3,DTXSID30292794,NC(=N)SCC1=CC=CC=C1.CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_Low,-,-,-,11,2,-,-,-,-,-,-
PUBCHEM_54598981,CASRN:27572-22-1,DTXSID30712604,[Zn++].CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_Low,-,-,-,4,2,-,-,-,-,-,-
4-Dodecylbenzene-1-sulfonic acid--iron (1/1),CASRN:58966-50-0,DTXSID10714126,[Fe].CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_Low,-,-,-,5,2,-,-,-,-,-,-
PUBCHEM_54606158,CASRN:27652-21-7,DTXSID80714234,[Cu++].CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_Low,-,-,-,5,2,-,-,-,-,-,-
2-{2-[4-(Octyloxy)phenoxy]ethoxy}ethane-1-thiol,CASRN:649739-42-4,DTXSID40800324,CCCCCCCCOC1=CC=C(OCCOCCS)C=C1,CCCCCCCCOC1=CC=C(OCCOCCS)C=C1,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-12-20-17-8-10-18(11-9-17)21-14-13-19-15-16-22/h8-11,22H,2-7,12-16H2,1H3",AVVDUWUSRVXUFF-UHFFFAOYSA-N,DTXCID20751067,Public_Low,-,-,-,4,1,-,-,-,-,-,-
2-Dodecylbenzene-1-sulfonic acid--1H-imidazole (1/1),CASRN:920958-66-3,DTXSID00841652,N1C=CN=C1.CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,Public_Low,-,-,-,4,1,-,-,-,-,-,-
2-Dodecylbenzene-1-sulfonic acid--phosphane (1/1),CASRN:928623-56-7,DTXSID40853739,P.CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,Public_Low,-,-,-,5,1,-,-,-,-,-,-
2-Dodecylbenzene-1-sulfonic acid--pyridine (1/1),CASRN:38094-95-0,DTXSID20855372,C1=CC=NC=C1.CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,Public_Low,-,-,-,4,1,-,-,-,-,-,-
4-(dodecan-4-yl)benzene-1-sulfonic acid,CASRN:NOCAS_862870,DTXSID30862870,CCCCCCCCC(CCC)C1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCC(CCC)C1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-3-5-6-7-8-9-11-16(10-4-2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)",YNJLGQRDQAQAHR-UHFFFAOYSA-N,DTXCID00811577,Public_High,-,-,-,-,6,-,-,-,-,-,1
Sodium 4-(6-dodecyl)benzenesulfonate,CASRN:2212-52-4,DTXSID90872899,[Na+].CCCCCCC(CCCCC)C1=CC=C(C=C1)S([O-])(=O)=O,CCCCCCC(CCCCC)C1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-3-5-7-9-11-16(10-8-6-4-2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)",GHNRTXCRBJQVGN-UHFFFAOYSA-N,DTXCID90197377,DSSTox_High,-,-,-,10,6,-,-,-,-,-,-
Calcium p-dodecylbenzenesulfonate,CASRN:47236-10-2,DTXSID0041648,[Ca++].CCCCCCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O.CCCCCCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,DSSTox_High,-,-,-,-,8,-,-,-,-,-,-
Ammonium 4-dodecylbenzenesulfonate,CASRN:14356-33-3,DTXSID20884748,[NH4+].CCCCCCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,DSSTox_High,-,-,-,-,5,-,-,-,-,-,-
"Benzenesulfonic acid, 4-dodecyl-, compd. with 1-amino-2-propanol (1:1)",CASRN:54590-52-2,DTXSID60886105,CC(O)CN.CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_Low,-,-,-,-,5,-,-,-,-,-,-
"Benzenesulfonic acid, 4-[2,4,4-trimethyl-1-(2-methylpropyl)pentyl]-, compd. with 2-aminoethanol (1:1)",CASRN:72391-21-0,DTXSID70888150,NCCO.CC(C)CC(C(C)CC(C)(C)C)C1=CC=C(C=C1)S(O)(=O)=O,CC(C)CC(C(C)CC(C)(C)C)C1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-13(2)11-17(14(3)12-18(4,5)6)15-7-9-16(10-8-15)22(19,20)21/h7-10,13-14,17H,11-12H2,1-6H3,(H,19,20,21)",FMJHPRMWHCVKRX-UHFFFAOYSA-N,DTXCID101034681,Public_Low,-,-,-,-,4,-,-,-,-,-,-
"Benzenesulfonic acid, dodecyl-, magnesium salt (2:1)",CASRN:27479-45-4,DTXSID60890808,[Mg++].CCCCCCCCCCCCC1=C(C=CC=C1)S([O-])(=O)=O.CCCCCCCCCCCCC1=C(C=CC=C1)S([O-])(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,Public_Low,-,-,-,-,13,-,-,-,-,-,-
Magnesium bis(4-dodecylbenzene-1-sulfonate),CASRN:77860-72-1,DTXSID20891311,[Mg++].CCCCCCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O.CCCCCCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,DSSTox_High,-,-,-,-,2,-,-,-,-,-,-
"4-(2,4,6-Trimethylnonyl)benzene-1-sulfonic acid",CASRN:135258-46-7,DTXSID80891519,CCCC(C)CC(C)CC(C)CC1=CC=C(C=C1)S(O)(=O)=O,CCCC(C)CC(C)CC(C)CC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-5-6-14(2)11-15(3)12-16(4)13-17-7-9-18(10-8-17)22(19,20)21/h7-10,14-16H,5-6,11-13H2,1-4H3,(H,19,20,21)",KWZGAVBMRCQJTG-UHFFFAOYSA-N,DTXCID801030616,DSSTox_High,-,-,-,-,1,-,-,-,-,-,-
"Benzenesulfonic acid, dodecyl-, aluminum salt (3:1)",CASRN:29756-98-7,DTXSID40890821,[Al+3].CCCCCCCCCCCCC1=CC=CC=C1S([O-])(=O)=O.CCCCCCCCCCCCC1=CC=CC=C1S([O-])(=O)=O.CCCCCCCCCCCCC1=CC=CC=C1S([O-])(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,Public_Low,-,-,-,-,10,-,-,-,-,-,-
"4-(1,3,5,7-Tetramethyloctyl)benzenesulfonic acid",CASRN:228871-12-3,DTXSID00892083,CC(C)CC(C)CC(C)CC(C)C1=CC=C(C=C1)S(O)(=O)=O,CC(C)CC(C)CC(C)CC(C)C1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-13(2)10-14(3)11-15(4)12-16(5)17-6-8-18(9-7-17)22(19,20)21/h6-9,13-16H,10-12H2,1-5H3,(H,19,20,21)",SRIYDGQCJPZPPK-UHFFFAOYSA-N,DTXCID501079132,DSSTox_High,-,-,-,-,3,-,-,-,-,-,-
"4-(4,6,8-Trimethylnonan-2-yl)benzenesulfonic acid - propan-2-amine (1:1)",CASRN:1433964-51-2,DTXSID60892084,CC(C)N.CC(C)CC(C)CC(C)CC(C)C1=CC=C(C=C1)S(O)(=O)=O,CC(C)CC(C)CC(C)CC(C)C1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-13(2)10-14(3)11-15(4)12-16(5)17-6-8-18(9-7-17)22(19,20)21/h6-9,13-16H,10-12H2,1-5H3,(H,19,20,21)",SRIYDGQCJPZPPK-UHFFFAOYSA-N,DTXCID501079132,DSSTox_High,-,-,-,-,2,-,-,-,-,-,-
Potassium 4-(dodecan-2-yl)benzenesulfonate,CASRN:1704730-93-7,DTXSID80892107,[K+].CCCCCCCCCCC(C)C1=CC=C(C=C1)S([O-])(=O)=O,CCCCCCCCCCC(C)C1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-3-4-5-6-7-8-9-10-11-16(2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)",CJTZDYDOPZRFTF-UHFFFAOYSA-N,DTXCID30196501,DSSTox_High,-,-,-,-,2,-,-,-,-,-,-
Sodium 3-dodecylbenzenesulfonate -iodine (1:1:1),CASRN:NOCAS_892388,DTXSID20892388,[Na+].II.CCCCCCCCCCCCC1=CC=CC(=C1)S([O-])(=O)=O,CCCCCCCCCCCCC1=CC(=CC=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(16-17)22(19,20)21/h12,14-16H,2-11,13H2,1H3,(H,19,20,21)",HRPQWSOMACYCRG-UHFFFAOYSA-N,DTXCID00196912,DSSTox_Low,-,-,-,-,1,-,-,-,-,-,-
4-Dodecylbenzene-1-(~2~H)sulfonic acid,CASRN:NOCAS_892878,DTXSID70892878,[2H]OS(=O)(=O)C1=CC=C(CCCCCCCCCCCC)C=C1,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_Low,-,-,-,-,3,-,-,-,-,-,-
2-Dodecylbenzenesulfonate,CASRN:347841-58-1,DTXSID50893368,CCCCCCCCCCCCC1=CC=CC=C1S([O-])(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,DSSTox_High,-,-,-,-,2,-,-,-,-,-,-
"Benzenesulfonic acid, dodecyl-, compd. with 1-amino-2-propanol, 1,1'-iminobis(2-propanol) and 1,1',1''-nitrilotris(2-propanol)",CASRN:69227-25-4,DTXSID70904440,CC(O)CN(CC(C)O)CC(C)O.CC(O)CN(CC(C)O)C(=N)C(C)O.CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,DSSTox_Low,-,-,-,-,5,-,-,-,-,-,-
4-Dodecylbenzenesulfonic acid ion(1-),CASRN:18777-56-5,DTXSID20904632,CCCCCCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,DSSTox_High,-,-,-,-,1,-,-,-,-,-,-
Calcium hypochlorite-dodecylbenzene sulfonate complex,CASRN:NOCAS_904633,DTXSID80904633,[Ca++].[O-]Cl.[O-]Cl.CCCCCCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,DSSTox_High,-,-,-,-,2,-,-,-,-,-,-
"2-(2,3,5,7-Tetramethyloctan-2-yl)benzene-1-sulfonic acid--N-methylcyclohexanamine (1/1)",CASRN:95892-15-2,DTXSID70914761,CNC1CCCCC1.CC(C)CC(C)CC(C)C(C)(C)C1=CC=CC=C1S(O)(=O)=O,CC(C)CC(C)CC(C)C(C)(C)C1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-13(2)11-14(3)12-15(4)18(5,6)16-9-7-8-10-17(16)22(19,20)21/h7-10,13-15H,11-12H2,1-6H3,(H,19,20,21)",QRKTVBMMZRDOKY-UHFFFAOYSA-N,DTXCID101471768,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"4-(10-Methylundecyl)benzene-1-sulfonic acid--1,1',1''-nitrilotri(propan-2-ol) (1/1)",CASRN:93922-06-6,DTXSID90917057,CC(O)CN(CC(C)O)CC(C)O.CC(C)CCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,CC(C)CCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-16(2)10-8-6-4-3-5-7-9-11-17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)",NLIZZNXFRGDAMS-UHFFFAOYSA-N,DTXCID40817174,Public_Low,-,-,-,-,3,-,-,-,-,-,-
2-Dodecylbenzene-1-sulfonic acid--3-methoxypropan-1-amine (1/1),CASRN:93858-51-6,DTXSID00917427,COCCCN.CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,Public_Low,-,-,-,-,3,-,-,-,-,-,-
Dodecyl benzenesulfonate--strontium (1/1),CASRN:12068-15-4,DTXSID90923517,[SrH2].CCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1,CCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(19,20)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3",YRIUSKIDOIARQF-UHFFFAOYSA-N,DTXCID7075842,Public_Low,-,-,-,-,3,-,-,-,-,-,-
Dodecyl benzenesulfonate--zinc (1/1),CASRN:12068-16-5,DTXSID50923518,[Zn].CCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1,CCCCCCCCCCCCOS(=O)(=O)C1=CC=CC=C1,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-14-17-21-22(19,20)18-15-12-11-13-16-18/h11-13,15-16H,2-10,14,17H2,1H3",YRIUSKIDOIARQF-UHFFFAOYSA-N,DTXCID7075842,Public_Low,-,-,-,-,4,-,-,-,-,-,-
"2-Dodecylbenzene-1-sulfonic acid--N,N-dimethylaniline (1/1)",CASRN:129212-11-9,DTXSID30926320,CN(C)C1=CC=CC=C1.CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"3-(4,6,8-Trimethylnonan-2-yl)benzene-1-sulfonic acid--N-methylaniline (1/1)",CASRN:167747-77-5,DTXSID60937383,CNC1=CC=CC=C1.CC(C)CC(C)CC(C)CC(C)C1=CC(=CC=C1)S(O)(=O)=O,CC(C)CC(C)CC(C)CC(C)C1=CC(=CC=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-13(2)9-14(3)10-15(4)11-16(5)17-7-6-8-18(12-17)22(19,20)21/h6-8,12-16H,9-11H2,1-5H3,(H,19,20,21)",PKDYEAVTLKOWCX-UHFFFAOYSA-N,DTXCID101472178,Public_Low,-,-,-,-,2,-,-,-,-,-,-
4-(2-Methylundecan-2-yl)benzene-1-sulfonic acid,CASRN:24271-16-7,DTXSID20947105,CCCCCCCCCC(C)(C)C1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCC(C)(C)C1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-4-5-6-7-8-9-10-15-18(2,3)16-11-13-17(14-12-16)22(19,20)21/h11-14H,4-10,15H2,1-3H3,(H,19,20,21)",ZJGVLZVSSCYXFU-UHFFFAOYSA-N,DTXCID201375371,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"4-(2,2-Dimethyldecyl)benzene-1-sulfonic acid",CASRN:24271-17-8,DTXSID80947106,CCCCCCCCC(C)(C)CC1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCC(C)(C)CC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-4-5-6-7-8-9-14-18(2,3)15-16-10-12-17(13-11-16)22(19,20)21/h10-13H,4-9,14-15H2,1-3H3,(H,19,20,21)",BFSAKYCOGSJXSS-UHFFFAOYSA-N,DTXCID901375372,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"4-(3,3-Dimethyldecyl)benzene-1-sulfonic acid",CASRN:24271-18-9,DTXSID40947107,CCCCCCCC(C)(C)CCC1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCC(C)(C)CCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-4-5-6-7-8-14-18(2,3)15-13-16-9-11-17(12-10-16)22(19,20)21/h9-12H,4-8,13-15H2,1-3H3,(H,19,20,21)",MTRVEHNLNAYRTF-UHFFFAOYSA-N,DTXCID601375373,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"4-(9,9-Dimethyldecyl)benzene-1-sulfonic acid",CASRN:24271-19-0,DTXSID00947108,CC(C)(C)CCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,CC(C)(C)CCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-18(2,3)15-9-7-5-4-6-8-10-16-11-13-17(14-12-16)22(19,20)21/h11-14H,4-10,15H2,1-3H3,(H,19,20,21)",LATSHRXSHSGKRV-UHFFFAOYSA-N,DTXCID301375374,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"Sodium 2-(4,6,8-trimethylnonan-2-yl)benzene-1-sulfonate",CASRN:25321-28-2,DTXSID70948167,[Na+].CC(C)CC(C)CC(C)CC(C)C1=CC=CC=C1S([O-])(=O)=O,CC(C)CC(C)CC(C)CC(C)C1=C(C=CC=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-13(2)10-14(3)11-15(4)12-16(5)17-8-6-7-9-18(17)22(19,20)21/h6-9,13-16H,10-12H2,1-5H3,(H,19,20,21)",RGAKRGIRMXFGMG-UHFFFAOYSA-N,DTXCID201452305,Public_Low,-,-,-,-,2,-,-,-,-,-,-
2-Dodecylbenzene-1-sulfonic acid--2-[(2-aminoethyl)amino]ethan-1-ol (1/1),CASRN:27134-20-9,DTXSID90949893,NCCNCCO.CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,Public_Low,-,-,-,-,3,-,-,-,-,-,-
Barium bis(2-dodecylbenzene-1-sulfonate),CASRN:28575-89-5,DTXSID90951254,[Ba++].CCCCCCCCCCCCC1=CC=CC=C1S([O-])(=O)=O.CCCCCCCCCCCCC1=CC=CC=C1S([O-])(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,Public_Low,-,-,-,-,2,-,-,-,-,-,-
2-Dodecylbenzene-1-sulfonic acid--N-(propan-2-yl)propan-2-amine (1/1),CASRN:29061-61-8,DTXSID20951666,CC(C)NC(C)C.CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,Public_Low,-,-,-,-,3,-,-,-,-,-,-
"2-Dodecylbenzene-1-sulfonic acid--N,N-diethylethanamine (1/1)",CASRN:29061-63-0,DTXSID80951667,CCN(CC)CC.CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,Public_Low,-,-,-,-,7,-,-,-,-,-,-
Lithium 2-dodecylbenzene-1-sulfonate,CASRN:29062-27-9,DTXSID40951668,[Li+].CCCCCCCCCCCCC1=CC=CC=C1S([O-])(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"4-Dodecylbenzene-1-sulfonic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)",CASRN:3088-30-0,DTXSID80953060,OCCN(CCO)CCO.CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_Low,-,-,-,-,3,-,-,-,-,-,-
2-Dodecylbenzene-1-sulfonic acid--cyclohexanamine (1/1),CASRN:35465-67-9,DTXSID40956875,NC1CCCCC1.CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,Public_Low,-,-,-,-,2,-,-,-,-,-,-
Titanium(4+) 4-dodecylbenzene-1-sulfonate propan-2-olate (1/3/1),CASRN:61417-55-8,DTXSID20976975,[Ti+4].CC(C)[O-].CCCCCCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O.CCCCCCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O.CCCCCCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_Low,-,-,-,-,6,-,-,-,-,-,-
Titanium(4+) 4-aminobenzene-1-sulfonate 4-dodecylbenzene-1-sulfonate propan-2-olate (1/1/2/1),CASRN:61417-56-9,DTXSID80976976,[Ti+4].CC(C)[O-].NC1=CC=C(C=C1)S([O-])(=O)=O.CCCCCCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O.CCCCCCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"Titanium(4+) 4-aminobenzene-1-sulfonate 4-dodecylbenzene-1-sulfonate ethane-1,2-bis(olate) (1/1/1/1)",CASRN:63713-77-9,DTXSID20980052,[Ti+4].[O-]CC[O-].NC1=CC=C(C=C1)S([O-])(=O)=O.CCCCCCCCCCCCC1=CC=C(C=C1)S([O-])(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_Low,-,-,-,-,2,-,-,-,-,-,-
4-Dodecylbenzene-1-sulfonic acid--piperidine (1/1),CASRN:67845-88-9,DTXSID20987187,C1CCNCC1.CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"4-Dodecylbenzene-1-sulfonic acid--ethane-1,2-diamine (1/1)",CASRN:67952-66-3,DTXSID30987350,NCCN.CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_Low,-,-,-,-,3,-,-,-,-,-,-
"2-Dodecylbenzene-1-sulfonic acid--2-(4,5-dihydro-1H-imidazol-1-yl)ethan-1-amine (2/1)",CASRN:68130-96-1,DTXSID30987613,NCCN1CCN=C1.CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O.CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"2-Dodecylbenzene-1-sulfonic acid--2-(4,5-dihydro-1H-imidazol-1-yl)ethan-1-amine (1/1)",CASRN:68389-76-4,DTXSID80987946,NCCN1CCN=C1.CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"4-Dodecylbenzene-1-sulfonic acid--1,1',1'',1'''-(ethane-1,2-diyldinitrilo)tetra(propan-2-ol) (1/1)",CASRN:68425-64-9,DTXSID50988041,CC(O)CN(CCN(CC(C)O)CC(C)O)CC(C)O.CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_Low,-,-,-,-,5,-,-,-,-,-,-
"4-Dodecylbenzene-1-sulfonic acid--1,1'-{[2-({2-[(2-hydroxypropyl)amino]ethyl}amino)ethyl]azanediyl}di(propan-2-ol) (1/1)",CASRN:68425-92-3,DTXSID70988043,CC(O)CNCCNCCN(CC(C)O)CC(C)O.CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_Low,-,-,-,-,2,-,-,-,-,-,-
Titanium(4+) 3-dodecylbenzene-1-sulfonate 2-(methylamino)ethane-1-sulfonate propan-2-olate (1/2/1/1),CASRN:68443-81-2,DTXSID70988088,[Ti+4].CC(C)[O-].CNCCS([O-])(=O)=O.CCCCCCCCCCCCC1=CC(=CC=C1)S([O-])(=O)=O.CCCCCCCCCCCCC1=CC(=CC=C1)S([O-])(=O)=O,CCCCCCCCCCCCC1=CC(=CC=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(16-17)22(19,20)21/h12,14-16H,2-11,13H2,1H3,(H,19,20,21)",HRPQWSOMACYCRG-UHFFFAOYSA-N,DTXCID00196912,Public_Low,-,-,-,-,2,-,-,-,-,-,-
Titanium(4+) 3-dodecylbenzene-1-sulfonate 2-[(2-methylprop-2-enoyl)oxy]ethane-1-sulfonate propan-2-olate (1/2/1/1),CASRN:68443-82-3,DTXSID30988089,[Ti+4].CC(C)[O-].CC(=C)C(=O)OCCS([O-])(=O)=O.CCCCCCCCCCCCC1=CC(=CC=C1)S([O-])(=O)=O.CCCCCCCCCCCCC1=CC(=CC=C1)S([O-])(=O)=O,CCCCCCCCCCCCC1=CC(=CC=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(16-17)22(19,20)21/h12,14-16H,2-11,13H2,1H3,(H,19,20,21)",HRPQWSOMACYCRG-UHFFFAOYSA-N,DTXCID00196912,Public_Low,-,-,-,-,2,-,-,-,-,-,-
Titanium(4+) 3-dodecylbenzene-1-sulfonate 16-methylheptadecanoate propan-2-olate (1/2/1/1),CASRN:68460-17-3,DTXSID80988110,[Ti+4].CC(C)[O-].CC(C)CCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCC1=CC(=CC=C1)S([O-])(=O)=O.CCCCCCCCCCCCC1=CC(=CC=C1)S([O-])(=O)=O,CCCCCCCCCCCCC1=CC(=CC=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-13-17-14-12-15-18(16-17)22(19,20)21/h12,14-16H,2-11,13H2,1H3,(H,19,20,21)",HRPQWSOMACYCRG-UHFFFAOYSA-N,DTXCID00196912,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"4-(Dodecan-2-yl)benzene-1-sulfonic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)",CASRN:68567-69-1,DTXSID60988234,OCCN(CCO)CCO.CCCCCCCCCCC(C)C1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCCC(C)C1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-3-4-5-6-7-8-9-10-11-16(2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)",CJTZDYDOPZRFTF-UHFFFAOYSA-N,DTXCID30196501,Public_Low,-,-,-,-,2,-,-,-,-,-,-
2-Dodecylbenzene-1-sulfonic acid--oxirane--ammonia (1/1/1),CASRN:68603-68-9,DTXSID00988278,N.C1CO1.CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,Public_Low,-,-,-,-,2,-,-,-,-,-,-
4-Dodecylbenzene-1-sulfonic acid--2-(dimethylamino)-2-methylpropan-1-ol (1/1),CASRN:68833-66-9,DTXSID80988539,CN(C)C(C)(C)CO.CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_Low,-,-,-,-,5,-,-,-,-,-,-
"2-Dodecylbenzene-1-sulfonic acid--ethane-1,2-diamine (1/1)",CASRN:71873-01-3,DTXSID10992583,NCCN.CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,CCCCCCCCCCCCC1=CC=CC=C1S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21)",WBIQQQGBSDOWNP-UHFFFAOYSA-N,DTXCID40196911,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"4-Dodecylbenzene-1-sulfonic acid--N,N-dimethyloctadecan-1-amine (1/1)",CASRN:73412-19-8,DTXSID00994132,CCCCCCCCCCCCCCCCCCN(C)C.CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,CCCCCCCCCCCCC1=CC=C(C=C1)S(O)(=O)=O,C18H30O3S,326.191566,"InChI=1S/C18H30O3S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3,(H,19,20,21)",KWXICGTUELOLSQ-UHFFFAOYSA-N,DTXCID8029812,Public_Low,-,-,-,-,2,-,-,-,-,-,-
"Silane, [[2-(3,3-dimethyloxiranyl)-1-phenylethyl]dioxy]triethyl-",CASRN:830345-36-3,DTXSID70464195,CC[Si](CC)(CC)OOC(CC1OC1(C)C)C1=CC=CC=C1,CC[Si](CC)(CC)OOC(CC1OC1(C)C)C1=CC=CC=C1,C18H30O3Si,322.1964214,"InChI=1S/C18H30O3Si/c1-6-22(7-2,8-3)21-20-16(14-17-18(4,5)19-17)15-12-10-9-11-13-15/h9-13,16-17H,6-8,14H2,1-5H3",GBEKKNRBZUEQHE-UHFFFAOYSA-N,DTXCID701005515,Public_Low,-,-,-,8,1,-,-,-,-,-,-
(Tripropylsilyl)methyl phenoxyacetate,CASRN:74789-41-6,DTXSID40502831,CCC[Si](CCC)(CCC)COC(=O)COC1=CC=CC=C1,CCC[Si](CCC)(CCC)COC(=O)COC1=CC=CC=C1,C18H30O3Si,322.1964214,"InChI=1S/C18H30O3Si/c1-4-12-22(13-5-2,14-6-3)16-21-18(19)15-20-17-10-8-7-9-11-17/h7-11H,4-6,12-16H2,1-3H3",VXWHCSZSHYFXMD-UHFFFAOYSA-N,DTXCID30453641,Public_Low,-,-,-,5,1,-,-,-,-,-,-