# cl_id

name: 2,5-Dimethyl-2,5-bis(2-ethylhexanoylperoxy)hexane
cas: 13052-09-0
chemspiderid: 102506
dtxsid: DTXSID90864350
formula: C24H46O6
inchikey: JUIBLDFFVYKUAC-UHFFFAOYSA-N
norman_susdat_id: NS00006910
pubchem_cid: 114448
smiles: CCCCC(CC)C(=O)OOC(C)(C)CCC(C)(C)OOC(=O)C(CC)CCCC
inchi:
InChI=1S/C24H46O6/c1-9-13-15-19(11-3)21(25)27-29-23(5,6)17-18-24(7,8)30-28-22(26)20(12-4)16-14-10-2/h19-20H,9-18H2,1-8H3


name: 4-amino-3-acetamido-2-(1,2,3-trihydroxypropyl)-3,4-dihydro-2h-pyran-6-carboxylic acid
cas: 130525-62-1
dtxsid: DTXSID00869795
formula: C11H18N2O7
inchikey: NKENBBIXEGPQLS-UFGQHTETSA-N
norman_susdat_id: NS00070074
pubchem_cid: 445533
smiles: CC(=O)N[C@@H]1[C@@H](N)C=C(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO
inchi:
InChI=1S/C11H18N2O7/c1-4(15)13-8-5(12)2-7(11(18)19)20-10(8)9(17)6(16)3-14/h2,5-6,8-10,14,16-17H,3,12H2,1H3,(H,13,15)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1


name: Glycine, N-(carboxymethyl)-N-(hexahydro-2,4,6-trioxo-5-pyrimidinyl)-
cas: 13055-06-6
chemspiderid: 74958
dtxsid: DTXSID1065340
formula: C8H9N3O7
inchikey: QDHGQJQZPJPKJK-UHFFFAOYSA-N
norman_susdat_id: NS00024112
pubchem_cid: 83088
smiles: OC(=O)CN(CC(=O)O)C1C(=O)NC(=O)NC1=O
inchi:
InChI=1S/C8H9N3O7/c12-3(13)1-11(2-4(14)15)5-6(16)9-8(18)10-7(5)17/h5H,1-2H2,(H,12,13)(H,14,15)(H2,9,10,16,17,18)


cas: 13055-82-8
formula: C18H23N5O5.ClH
inchikey: XSFWDHONRBZVEJ-UHFFFAOYSA-N
norman_susdat_id: NS00085556
smiles: Cl.CN1C(=O)N(C)c2ncn(CCCNCC(O)c3cc(O)cc(O)c3)c2C1=O
name:
7-[3-[[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]amino]propyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione monohydrochloride

inchi:
InChI=1/C18H23N5O5.ClH/c1-21-16-15(17(27)22(2)18(21)28)23(10-20-16)5-3-4-19-9-14(26)11-6-12(24)8-13(25)7-11;/h6-8,10,14,19,24-26H,3-5,9H2,1-2H3;1H


name: Pentaerythritol tetralaurate
cas: 13057-50-6
formula: C53H100O8
inchikey: YUGHSWSVZKPPEG-UHFFFAOYSA-N
norman_susdat_id: NS00051588
pubchem_cid: 12767865
smiles: O=C(OCC(COC(=O)CCCCCCCCCCC)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC)CCCCCCCCCCC
inchi:
InChI=1/C53H100O8/c1-5-9-13-17-21-25-29-33-37-41-49(54)58-45-53(46-59-50(55)42-38-34-30-26-22-18-14-10-6-2,47-60-51(56)43-39-35-31-27-23-19-15-11-7-3)48-61-52(57)44-40-36-32-28-24-20-16-12-8-4/h5-48H2,1-4H3


name: 2-propen-1-one
cas: 130579-75-8
formula: C19H21FN2O2
inchikey: VAIOZOCLKVMIMN-PRJWTAEASA-N
norman_susdat_id: NS00068763
smiles: CN(C)CCO/N=C(/C=C/c1ccc(O)cc1)c1ccccc1F
inchi:
InChI=1S/C19H21FN2O2/c1-22(2)13-14-24-21-19(17-5-3-4-6-18(17)20)12-9-15-7-10-16(23)11-8-15/h3-12,23H,13-14H2,1-2H3/b12-9+,21-19-


name: Farnesyl pyrophosphate
cas: 13058-04-3
chebiid: CHEBI:17407
chemspiderid: 686
formula: C15H28O7P2
inchikey: VWFJDQUYCIWHTN-YFVJMOTDSA-N
norman_susdat_id: NS00015199
pubchem_cid: 445713
smiles: CC(=CCCC(=CCCC(=CCOP(=O)(O)OP(=O)(O)O)C)C)C
inchi:
InChI=1S/C15H28O7P2/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-21-24(19,20)22-23(16,17)18/h7,9,11H,5-6,8,10,12H2,1-4H3,(H,19,20)(H2,16,17,18)/b14-9+,15-11+


name: Ammonium 2,3,3,4,4,5,5,6,6,6-decafluoro-2-(pentafluoroethyl)hexanoate
cas: 13058-06-5
dtxsid: DTXSID20896649
formula: C8H4F15NO2
inchikey: XPJUIQUTJIIQNM-UHFFFAOYSA-N
norman_susdat_id: NS00109787
smiles: [NH4+].[O-]C(=O)C(F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C8HF15O2.H3N/c9-2(1(24)25,4(12,13)7(18,19)20)3(10,11)5(14,15)6(16,17)8(21,22)23;/h(H,24,25);1H3


cas: 130603-71-3
formula: C33H40O21
norman_susdat_id: NS00104657
name:
2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-?-L-mannopyranosyl-(1->6)-[?-D-glucopyranosyl-(1->4)]-?-D-glucopyranoside


name: (+)-Diltiazem
cas: 130606-60-9
chebiid: CHEBI:101278
dtxsid: DTXSID9022940
formula: C22H26N2O4S
inchikey: HSUGRBWQSSZJOP-RTWAWAEBSA-N
norman_susdat_id: NS00068380
pubchem_cid: 39186
smiles: COc1ccc([C@@H]2Sc3ccccc3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O)cc1
inchi:
InChI=1S/C22H26N2O4S/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3/h5-12,20-21H,13-14H2,1-4H3/t20-,21+/m1/s1


cas: 13061-27-3
dtxsid: DTXSID60926833
formula: C23H24N6O7S2
inchikey: IHRPVXYWQIAWSC-UHFFFAOYSA-M
norman_susdat_id: NS00052330
pubchem_cid: 187764
smiles: [Na+].O=C1C(=C(N(N1C=2C=CC=CC2)C)C)C(NC3=CC=C(C=C3)S(=O)(=O)NC4=NN=C(OC)C=C4)S(=O)(=O)[O-]
name:
Sodium 2,3-dihydro-a-[[4-[[(6-methoxypyridazin-3-yl)amino]sulphonyl]phenyl]amino]-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-methanesulphonate

inchi:
InChI=1/C23H24N6O7S2.Na/c1-15-21(23(30)29(28(15)2)17-7-5-4-6-8-17)22(38(33,34)35)24-16-9-11-18(12-10-16)37(31,32)27-19-13-14-20(36-3)26-25-19;/h4-14,22,24H,1-3H3,(H,25,27)(H,33,34,35);/q;+1/p-1


name: Bindarit
cas: 130641-38-2
dtxsid: DTXSID30156660
formula: C19H20N2O3
inchikey: MTHORRSSURHQPZ-UHFFFAOYSA-N
norman_susdat_id: NS00068107
pubchem_cid: 71354
smiles: CC(C)(OCc1nn(Cc2ccccc2)c2ccccc12)C(=O)O
inchi:
InChI=1S/C19H20N2O3/c1-19(2,18(22)23)24-13-16-15-10-6-7-11-17(15)21(20-16)12-14-8-4-3-5-9-14/h3-11H,12-13H2,1-2H3,(H,22,23)


cas: 130667-20-8
dtxsid: DTXSID40897658
norman_susdat_id: NS00110511
name:
1-Butanesulfonic acid, 1,1,2,2,3,4,4-heptafluoro-4-[(1,2,2-trifluoroethenyl)oxy]-3-(trifluoromethyl)-, polymer with 1,1,2,2-tetrafluoroethene


name: Triethoxy[5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptyl]silane
cas: 130676-81-2
dtxsid: DTXSID80564135
formula: C15H21F13O3Si
inchikey: JVAFDQZZUMUFSM-UHFFFAOYSA-N
norman_susdat_id: NS00111598
smiles: CCO[Si](CCCC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC
inchi:
InChI=1S/C15H21F13O3Si/c1-4-29-32(30-5-2,31-6-3)9-7-8-10(13(20,21)22,14(23,24)25)11(16,17)12(18,19)15(26,27)28/h4-9H2,1-3H3


cas: 1306760-87-1
formula: C23H24N4O3
inchikey: XRVDGNKRPOAQTN-FQEVSTJZSA-N
norman_susdat_id: NS00073379
pubchem_cid: 52938427
smiles: CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NCCO)no2)cc1C#N
name:
5-(3-{1-[(2-hydroxyethyl)amino]-2,3-dihydro-1h-inden-4-yl}-1,2,4-oxadiazol-5-yl)-2-(propan-2-yloxy)benzonitrile

inchi:
InChI=1S/C23H24N4O3/c1-14(2)29-21-9-6-15(12-16(21)13-24)23-26-22(27-30-23)19-5-3-4-18-17(19)7-8-20(18)25-10-11-28/h3-6,9,12,14,20,25,28H,7-8,10-11H2,1-2H3/t20-/m0/s1


name: (R)-[2-hydroxy-3-(naphthyloxy)propyl]isopropylammonium chloride
cas: 13071-11-9
chebiid: CHEBI:51161
formula: C16H21NO2.ClH
inchikey: ZMRUPTIKESYGQW-PFEQFJNWSA-N
norman_susdat_id: NS00084911
smiles: [Cl-].CC(C)[NH2+]C[C@@H](O)COc1cccc2ccccc12
inchi:
InChI=1/C16H21NO2.ClH/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16;/h3-9,12,14,17-18H,10-11H2,1-2H3;1H


name: Urea, tricyclo(3.3.1.1(sup 3,7))dec-1-yl-
cas: 13072-69-0
chemspiderid: 57740
dtxsid: DTXSID60156693
formula: C11H18N2O1
inchikey: QYYHPAUOLCHORH-UHFFFAOYSA-N
norman_susdat_id: NS00024122
pubchem_cid: 64166
smiles: NC(=O)NC12CC3CC(CC(C3)C1)C2
inchi:
InChI=1S/C11H18N2O/c12-10(14)13-11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H3,12,13,14)/t7-,8+,9-,11-


name: Ethyl N-[2-(chloromethyl)-1-methyl-1H-benzimidazole-5-carbonyl]-N-pyridin-2-yl-beta-alaninate
cas: 1307233-94-8
chemspiderid: 28535229
dtxsid: DTXSID60680640
formula: C20H21Cl1N4O3
inchikey: ATDFBDBECQOWSX-UHFFFAOYSA-N
norman_susdat_id: NS00006984
pubchem_cid: 52938220
smiles: CCOC(=O)CCN(C(=O)c1ccc2n(C)c(CCl)nc2c1)c1ccccn1
inchi:
InChI=1S/C20H21ClN4O3/c1-3-28-19(26)9-11-25(17-6-4-5-10-22-17)20(27)14-7-8-16-15(12-14)23-18(13-21)24(16)2/h4-8,10,12H,3,9,11,13H2,1-2H3


name: N-Carbobenzoxyglycyl-prolyl-glycyl-glycyl-prolyl-alanine
cas: 13075-38-2
chemspiderid: 4224212
dtxsid: DTXSID60156714
formula: C27H36N6O9
inchikey: YMMPZCZOLKBHAP-IHPCNDPISA-N
norman_susdat_id: NS00024124
pubchem_cid: 5486160
smiles: C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)CNC(=O)[C@@H]1CCCN1C(=O)CNC(=O)OCc1ccccc1)C(=O)O
inchi:
InChI=1S/C27H36N6O9/c1-17(26(39)40)31-25(38)20-10-6-12-33(20)22(35)14-28-21(34)13-29-24(37)19-9-5-11-32(19)23(36)15-30-27(41)42-16-18-7-3-2-4-8-18/h2-4,7-8,17,19-20H,5-6,9-16H2,1H3,(H,28,34)(H,29,37)(H,30,41)(H,31,38)(H,39,40)/t17-,19-,20-/m0/s1


cas: 130755-46-3
chemspiderid: 9322015
dtxsid: DTXSID50456811
formula: C22H8Cl4F6N8S2
inchikey: KYWRZLCFDFEWBI-UHFFFAOYSA-N
norman_susdat_id: NS00001659
pubchem_cid: 11146906
smiles: Nc1c(SSc2c(N)n(nc2C#N)-c2c(Cl)cc(cc2Cl)C(F)(F)F)c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N
name:
4,4'-Disulfanediylbis{5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-1H-pyrazole-3-carbonitrile}

inchi:
InChI=1S/C22H8Cl4F6N8S2/c23-9-1-7(21(27,28)29)2-10(24)15(9)39-19(35)17(13(5-33)37-39)41-42-18-14(6-34)38-40(20(18)36)16-11(25)3-8(4-12(16)26)22(30,31)32/h1-4H,35-36H2


name: JWH 018 4-hydroxyindole metabolite
cas: 1307803-42-4
chemspiderid: 26458418
formula: C24H23N1O2
inchikey: DFIOKCGWOUDFRF-UHFFFAOYSA-N
norman_susdat_id: NS00017241
pubchem_cid: 53394446
smiles: CCCCCn1cc(c2c1cccc2O)C(=O)c1cccc2c1cccc2
inchi:
InChI=1S/C24H23NO2/c1-2-3-6-15-25-16-20(23-21(25)13-8-14-22(23)26)24(27)19-12-7-10-17-9-4-5-11-18(17)19/h4-5,7-14,16,26H,2-3,6,15H2,1H3


name: JWH 018 5-hydroxyindole metabolite
cas: 1307803-43-5
chemspiderid: 26458419
formula: C24H23N1O2
inchikey: GMOJICNPAPPCSR-UHFFFAOYSA-N
norman_susdat_id: NS00017246
pubchem_cid: 53394447
smiles: CCCCCN1C=C(C2=C1C=CC(=C2)O)C(=O)C3=CC=CC4=CC=CC=C43
inchi:
InChI=1S/C24H23NO2/c1-2-3-6-14-25-16-22(21-15-18(26)12-13-23(21)25)24(27)20-11-7-9-17-8-4-5-10-19(17)20/h4-5,7-13,15-16,26H,2-3,6,14H2,1H3


name: JWH 018 6-hydroxyindole metabolite
cas: 1307803-44-6
chemspiderid: 26458420
formula: C24H23N1O2
inchikey: OTRCAWIVHSQWPC-UHFFFAOYSA-N
norman_susdat_id: NS00017247
pubchem_cid: 53394448
smiles: CCCCCN1C=C(C2=C1C=C(C=C2)O)C(=O)C3=CC=CC4=CC=CC=C43
inchi:
InChI=1S/C24H23NO2/c1-2-3-6-14-25-16-22(20-13-12-18(26)15-23(20)25)24(27)21-11-7-9-17-8-4-5-10-19(17)21/h4-5,7-13,15-16,26H,2-3,6,14H2,1H3


name: JWH 018 7-hydroxyindole metabolite
cas: 1307803-45-7
chemspiderid: 26458421
formula: C24H23N1O2
inchikey: OHAPOWHHSCCXIL-UHFFFAOYSA-N
norman_susdat_id: NS00017248
pubchem_cid: 53394449
smiles: CCCCCN1C=C(C2=C1C(=CC=C2)O)C(=O)C3=CC=CC4=CC=CC=C43
inchi:
InChI=1S/C24H23NO2/c1-2-3-6-15-25-16-21(19-12-8-14-22(26)23(19)25)24(27)20-13-7-10-17-9-4-5-11-18(17)20/h4-5,7-14,16,26H,2-3,6,15H2,1H3


name: JWH 073 4-hydroxyindole metabolite
cas: 1307803-46-8
chemspiderid: 26458424
formula: C23H21N1O2
inchikey: DKIVMJXJKHHIRO-UHFFFAOYSA-N
norman_susdat_id: NS00017251
pubchem_cid: 53394452
smiles: CCCCN1C=C(C2=C1C=CC=C2O)C(=O)C3=CC=CC4=CC=CC=C43
inchi:
InChI=1S/C23H21NO2/c1-2-3-14-24-15-19(22-20(24)12-7-13-21(22)25)23(26)18-11-6-9-16-8-4-5-10-17(16)18/h4-13,15,25H,2-3,14H2,1H3


name: JWH 073 5-hydroxyindole metabolite
cas: 1307803-47-9
chemspiderid: 26458425
formula: C23H21N1O2
inchikey: JZGAGMUTAYXMMJ-UHFFFAOYSA-N
norman_susdat_id: NS00017253
pubchem_cid: 53394453
smiles: CCCCN1C=C(C2=C1C=CC(=C2)O)C(=O)C3=CC=CC4=CC=CC=C43
inchi:
InChI=1S/C23H21NO2/c1-2-3-13-24-15-21(20-14-17(25)11-12-22(20)24)23(26)19-10-6-8-16-7-4-5-9-18(16)19/h4-12,14-15,25H,2-3,13H2,1H3


name: JWH 073 6-hydroxyindole metabolite
cas: 1307803-48-0
chemspiderid: 26458426
formula: C23H21N1O2
inchikey: MDXHTLBJLOYLRK-UHFFFAOYSA-N
norman_susdat_id: NS00017256
pubchem_cid: 53394454
smiles: CCCCN1C=C(C2=C1C=C(C=C2)O)C(=O)C3=CC=CC4=CC=CC=C43
inchi:
InChI=1S/C23H21NO2/c1-2-3-13-24-15-21(19-12-11-17(25)14-22(19)24)23(26)20-10-6-8-16-7-4-5-9-18(16)20/h4-12,14-15,25H,2-3,13H2,1H3


name: JWH 073 7-hydroxyindole metabolite
cas: 1307803-49-1
chemspiderid: 26458427
formula: C23H21N1O2
inchikey: RERSSQCTZKUWMM-UHFFFAOYSA-N
norman_susdat_id: NS00017258
pubchem_cid: 53394455
smiles: CCCCN1C=C(C2=C1C(=CC=C2)O)C(=O)C3=CC=CC4=CC=CC=C43
inchi:
InChI=1S/C23H21NO2/c1-2-3-14-24-15-20(18-11-7-13-21(25)22(18)24)23(26)19-12-6-9-16-8-4-5-10-17(16)19/h4-13,15,25H,2-3,14H2,1H3


name: JWH-073-M-N-Butanoic acid
cas: 1307803-52-6
chemspiderid: 26458429
formula: C23H19NO3
inchikey: YQRYKVLRMJAKGU-UHFFFAOYSA-N
norman_susdat_id: NS00100947
pubchem_cid: 53394457
smiles: c1ccc2c(c1)cccc2C(=O)c3cn(c4c3cccc4)CCCC(=O)O
inchi:
InChI=1S/C23H19NO3/c25-22(26)13-6-14-24-15-20(18-10-3-4-12-21(18)24)23(27)19-11-5-8-16-7-1-2-9-17(16)19/h1-5,7-12,15H,6,13-14H2,(H,25,26)


name: Mdl-29951
cas: 130798-51-5
formula: C12H9Cl2NO4
inchikey: KNBSYZNKEAWABY-UHFFFAOYSA-N
norman_susdat_id: NS00068109
pubchem_cid: 446916
smiles: O=C(O)CCc1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12
inchi:
InChI=1S/C12H9Cl2NO4/c13-5-3-7(14)10-6(1-2-9(16)17)11(12(18)19)15-8(10)4-5/h3-4,15H,1-2H2,(H,16,17)(H,18,19)


name: Benzenamine, 4,4'-[sulfonylbis(4,1-phenyleneoxy)]bis-
cas: 13080-89-2
chemspiderid: 23931
dtxsid: DTXSID1065344
formula: C24H20N2O4S1
inchikey: UTDAGHZGKXPRQI-UHFFFAOYSA-N
norman_susdat_id: NS00024128
pubchem_cid: 25689
smiles: Nc1ccc(Oc2ccc(cc2)S(=O)(=O)c2ccc(Oc3ccc(N)cc3)cc2)cc1
inchi:
InChI=1S/C24H20N2O4S/c25-17-1-5-19(6-2-17)29-21-9-13-23(14-10-21)31(27,28)24-15-11-22(12-16-24)30-20-7-3-18(26)4-8-20/h1-16H,25-26H2


name: Pentaerythritol Distearate
cas: 13081-97-5
chemspiderid: 55488
dtxsid: DTXSID4047175
formula: C41H80O6
inchikey: FSEJJKIPRNUIFL-UHFFFAOYSA-N
norman_susdat_id: NS00013963
pubchem_cid: 61575
smiles: CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C41H80O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)46-37-41(35-42,36-43)38-47-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42-43H,3-38H2,1-2H3


name: 9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium hydroxide
cas: 13082-47-8
formula: C28H31N2O3.HO
inchikey: HKDWCPWFGXASQO-UHFFFAOYSA-M
norman_susdat_id: NS00084846
smiles: [OH-].CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC
inchi:
InChI=1/C28H30N2O3.H2O/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;/h9-18H,5-8H2,1-4H3;1H2


cas: 13083-09-5
formula: C30H20N4O16S5
inchikey: BRDKDUIVKAWUDZ-UHFFFAOYSA-I
norman_susdat_id: NS00051123
pubchem_cid: NA
name:
Pentasodium 4-[[4-[(3,6-disulphonato-1-naphthyl)azo]-6-sulphonato-1-naphthyl]azo]-3-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C30H20N4O16S5.5Na/c35-30-28(55(48,49)50)12-16-10-18(52(39,40)41)2-5-22(16)29(30)34-32-25-7-8-26(24-13-19(53(42,43)44)3-6-23(24)25)31-33-27-14-20(54(45,46)47)11-15-9-17(51(36,37)38)1-4-21(15)27;;;;;/h1-14,35H,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC2=C(N=NC3=CC=C(N=NC=4C(O)=C(C=C5C=C(C=CC54)S(=O)(=O)[O-])S(=O)(=O)[O-])C=6C=CC(=CC36)S(=O)(=O)[O-])C=C(C=C2C1)S(=O)(=O)[O-]


name: 2'-deoxycytidine 5'-(disodium phosphate)
cas: 13085-50-2
formula: C9H14N3O7P.2Na
inchikey: IJFRULGDDRUYQN-UHFFFAOYSA-L
norman_susdat_id: NS00084597
smiles: NC1=NC(=O)N(C=C1)C2CC(O)C(COP(=O)(O[Na])O[Na])O2
inchi:
InChI=1/C9H14N3O7P.2Na/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17;;/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17);;/q;2*+1/p-2/rC9H12N3Na2O7P/c10-7-1-2-12(9(16)11-7)8-3-5(15)6(19-8)4-18-22(17,20-13)21-14/h1-2,5-6,8,15H,3-4H2,(H2,10,11,16)


name: 1-deoxy-1-(methylamino)-D-glucitol 3-(acetylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoate
cas: 13087-53-1
chebiid: CHEBI:31714
formula: C11H9I3N2O4.C7H17NO5
inchikey: VLHUSFYMPUDOEL-WZTVWXICSA-N
norman_susdat_id: NS00084954
smiles: CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC(=O)c1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I
inchi:
InChI=1/C11H9I3N2O4.C7H17NO5/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2H3,(H,15,18)(H,16,17)(H,19,20);4-13H,2-3H2,1H3


name: 9,10-Anthracenedione, 1,4-bis(cyclohexylamino)-
cas: 13090-99-8
dtxsid: DTXSID60384691
formula: C26H30N2O2
inchikey: ZTADCQTUHRWJCM-UHFFFAOYSA-N
norman_susdat_id: NS00097997
smiles: C1CCC(CC1)NC2=C3C(=C(C=C2)NC4CCCCC4)C(=O)C5=CC=CC=C5C3=O
inchi:
InChI=1S/C26H30N2O2/c29-25-19-13-7-8-14-20(19)26(30)24-22(28-18-11-5-2-6-12-18)16-15-21(23(24)25)27-17-9-3-1-4-10-17/h7-8,13-18,27-28H,1-6,9-12H2


name: Disopyramide
cas: 1309283-08-6
dtxsid: DTXSID00904630
formula: C21H29N3O
inchikey: UVTNFZQICZKOEM-OAQYLSRUSA-N
norman_susdat_id: NS00098943
pubchem_cid: 156294
smiles: CC(C)N(CC[C@@](C(N)=O)(c1ccccc1)c1ccccn1)C(C)C
inchi:
InChI=1S/C21H29N3O/c1-16(2)24(17(3)4)15-13-21(20(22)25,18-10-6-5-7-11-18)19-12-8-9-14-23-19/h5-12,14,16-17H,13,15H2,1-4H3,(H2,22,25)/t21-/m1/s1


name: Atenolol
cas: 1309283-20-2
chebiid: CHEBI:31556
dtxsid: DTXSID10239405
formula: C14H22N2O3
inchikey: METKIMKYRPQLGS-LBPRGKRZSA-N
norman_susdat_id: NS00099224
pubchem_cid: 175540
smiles: CC(C)NC[C@H](O)COc1ccc(CC(N)=O)cc1
inchi:
InChI=1S/C14H22N2O3/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18)/t12-/m0/s1


name: Entacapone
cas: 130929-57-6
chebiid: CHEBI:4798
chemspiderid: 4444537
dtxsid: DTXSID5046439
formula: C14H15N3O5
inchikey: JRURYQJSLYLRLN-BJMVGYQFSA-N
norman_susdat_id: NS00006886
pubchem_cid: 5281081
smiles: CCN(CC)C(=O)C(=Cc1cc(O)c(O)c(c1)[N+]([O-])=O)C#N
inchi:
InChI=1S/C14H15N3O5/c1-3-16(4-2)14(20)10(8-15)5-9-6-11(17(21)22)13(19)12(18)7-9/h5-7,18-19H,3-4H2,1-2H3/b10-5+


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-Heptacosafluorodocosane
cas: 1309378-06-0
dtxsid: DTXSID30895406
formula: C22H19F27
inchikey: FPQVMLAHTLHXTN-UHFFFAOYSA-N
norman_susdat_id: NS00110028
inchi:
InChI=1S/C22H19F27/c1-2-3-4-5-6-7-8-9-10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)21(45,46)22(47,48)49/h2-9H2,1H3

smiles:
CCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Benzyl viologen
cas: 13096-46-3
chebiid: CHEBI:3056
chemspiderid: 13567
dtxsid: DTXSID8074493
formula: C24H22N2
inchikey: LUAZZOXZPVVGSO-UHFFFAOYSA-N
norman_susdat_id: NS00024138
pubchem_cid: 14196
smiles: C(c1ccccc1)[n+]1ccc(cc1)c1cc[n+](Cc2ccccc2)cc1
inchi:
InChI=1S/C24H22N2/c1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)24-13-17-26(18-14-24)20-22-9-5-2-6-10-22/h1-18H,19-20H2/q+2


name: Deserpidine
cas: 131-01-1
chebiid: CHEBI:27478
chemspiderid: 8232
dtxsid: DTXSID8020383
formula: C32H38N2O8
inchikey: CVBMAZKKCSYWQR-WCGOZPBSSA-N
norman_susdat_id: NS00008754
pubchem_cid: 8550
inchi:
InChI=1S/C32H38N2O8/c1-37-24-12-17(13-25(38-2)29(24)39-3)31(35)42-26-14-18-16-34-11-10-20-19-8-6-7-9-22(19)33-28(20)23(34)15-21(18)27(30(26)40-4)32(36)41-5/h6-9,12-13,18,21,23,26-27,30,33H,10-11,14-16H2,1-5H3/t18-,21+,23-,26-,27+,30+/m1/s1

smiles:
CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)c1cc(OC)c(OC)c(OC)c1


name: Methyl (3ß,19a,20a)-16,17-didehydro-10,11-dimethoxy-19-methyloxayohimban-16-carboxylate
cas: 131-02-2
chebiid: CHEBI:135667
dtxsid: DTXSID20927028
formula: C23H28N2O5
inchikey: FGWJRZQNNZVCHR-BCRCDCHUSA-N
norman_susdat_id: NS00041576
pubchem_cid: 67228
smiles: O=C(OC)C1=COC(C)C2CN3CCC=4C=5C=C(OC)C(OC)=CC5NC4C3CC12
inchi:
InChI=1/C23H28N2O5/c1-12-16-10-25-6-5-13-15-8-20(27-2)21(28-3)9-18(15)24-22(13)19(25)7-14(16)17(11-30-12)23(26)29-4/h8-9,11-12,14,16,19,24H,5-7,10H2,1-4H3


name: Methyl (16ß,17a,20a)-17-hydroxyyohimban-16-carboxylate
cas: 131-03-3
chebiid: CHEBI:48562
formula: C21H26N2O3
inchikey: BLGXFZZNTVWLAY-DIRVCLHFSA-N
norman_susdat_id: NS00079316
smiles: COC(=O)[C@@H]1[C@@H](O)CC[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12
inchi:
InChI=1/C21H26N2O3/c1-26-21(25)19-15-10-17-20-14(13-4-2-3-5-16(13)22-20)8-9-23(17)11-12(15)6-7-18(19)24/h2-5,12,15,17-19,22,24H,6-11H2,1H3


name: 1-ß-D-arabinofuranosyl-5-fluoro-(1H,3H)-pyrimidine-2,4-dione
cas: 131-06-6
formula: C9H11FN2O6
inchikey: FHIDNBAQOFJWCA-UHFFFAOYSA-N
norman_susdat_id: NS00079313
smiles: OCC1OC(C(O)C1O)N2C=C(F)C(=O)NC2=O
inchi:
InChI=1/C9H11FN2O6/c10-3-1-12(9(17)11-7(3)16)8-6(15)5(14)4(2-13)18-8/h1,4-6,8,13-15H,2H2,(H,11,16,17)


name: Sodium 9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
cas: 131-08-8
formula: C14H8O5S.Na
inchikey: GGCZERPQGJTIQP-UHFFFAOYSA-M
norman_susdat_id: NS00079150
smiles: [Na+].[O-]S(=O)(=O)c1ccc2C(=O)c3ccccc3C(=O)c2c1
inchi:
InChI=1/C14H8O5S.Na/c15-13-9-3-1-2-4-10(9)14(16)12-7-8(20(17,18)19)5-6-11(12)13;/h1-7H,(H,17,18,19);/q;+1/p-1


name: Menadiol sodium diphosphate anhydrous
cas: 131-13-5
chemspiderid: 8237
dtxsid: DTXSID80156832
formula: C11H12O8P2
inchikey: GZBACHSOZNEZOG-UHFFFAOYSA-J
norman_susdat_id: NS00021593
pubchem_cid: 8555
smiles: [Na+].[Na+].[Na+].[Na+].Cc1c(OP(=O)([O-])[O-])c2c(cccc2)c(OP(=O)([O-])[O-])c1
inchi:
InChI=1S/C11H12O8P2/c1-7-6-10(18-20(12,13)14)8-4-2-3-5-9(8)11(7)19-21(15,16)17/h2-6H,1H3,(H2,12,13,14)(H2,15,16,17)


name: Bis(1-methylheptyl) phthalate
cas: 131-15-7
chemspiderid: 8240
dtxsid: DTXSID0051655
formula: C24H38O4
inchikey: RLRMXWDXPLINPJ-UHFFFAOYNA-N
norman_susdat_id: NS00020571
pubchem_cid: NA
smiles: CCCCCCC(C)OC(=O)c1ccccc1C(=O)OC(C)CCCCCC
inchi:
InChI=1S/C24H38O4/c1-5-7-9-11-15-19(3)27-23(25)21-17-13-14-18-22(21)24(26)28-20(4)16-12-10-8-6-2/h13-14,17-20H,5-12,15-16H2,1-4H3/t19-,20-/m0/s1


name: Dipentyl phthalate
cas: 131-18-0
chebiid: CHEBI:34680
chemspiderid: 8243
dtxsid: DTXSID5031131
formula: C18H26O4
inchikey: IPKKHRVROFYTEK-UHFFFAOYSA-N
norman_susdat_id: NS00001949
pubchem_cid: 8561
smiles: CCCCCOC(=O)c1ccccc1C(=O)OCCCCC
eea_notation: CAS_131-18-0
inchi:
InChI=1S/C18H26O4/c1-3-5-9-13-21-17(19)15-11-7-8-12-16(15)18(20)22-14-10-6-4-2/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3


name: 1,5-Naphthalenedisulfonic acid, 3-amino-
cas: 131-27-1
chemspiderid: 8245
dtxsid: DTXSID5059616
formula: C10H9N1O6S2
inchikey: MTJGVAJYTOXFJH-UHFFFAOYSA-N
norman_susdat_id: NS00002529
pubchem_cid: 8563
smiles: Nc1cc(c2cccc(c2c1)S(O)(=O)=O)S(O)(=O)=O
inchi:
InChI=1S/C10H9NO6S2/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14/h1-5H,11H2,(H,12,13,14)(H,15,16,17)


name: Narceine
cas: 131-28-2
chebiid: CHEBI:7480
chemspiderid: 8246
dtxsid: DTXSID40156833
formula: C23H27N1O8
inchikey: DEXMFYZAHXMZNM-UHFFFAOYSA-N
norman_susdat_id: NS00002615
pubchem_cid: 8564
smiles: COc1ccc(C(=O)Cc2c(CCN(C)C)cc3OCOc3c2OC)c(C(O)=O)c1OC
inchi:
InChI=1S/C23H27NO8/c1-24(2)9-8-13-10-18-22(32-12-31-18)20(29-4)15(13)11-16(25)14-6-7-17(28-3)21(30-5)19(14)23(26)27/h6-7,10H,8-9,11-12H2,1-5H3,(H,26,27)


name: 2H-Naphtho[1,2-d]triazole-5-sulfonic acid, 2-[4-[2-(4-nitro-2-sulfophenyl)ethenyl]-3-sulfophenyl]-
cas: 131-43-1
chemspiderid: 4940748
dtxsid: DTXSID0059617
formula: C24H16N4O11S3
inchikey: ZUALTTRSCLAGBQ-UHFFFAOYSA-N
norman_susdat_id: NS00024164
pubchem_cid: 67229
smiles: OS(=O)(=O)c1cc(ccc1/C=C/c1c(cc(cc1)[N+](=O)[O-])S(=O)(=O)O)n1nc2cc(c3c(cccc3)c2n1)S(=O)(=O)O
inchi:
InChI=1S/C24H16N4O11S3/c29-28(30)17-10-8-15(22(12-17)41(34,35)36)6-5-14-7-9-16(11-21(14)40(31,32)33)27-25-20-13-23(42(37,38)39)18-3-1-2-4-19(18)24(20)26-27/h1-13H,(H,31,32,33)(H,34,35,36)(H,37,38,39)/b6-5+


name: N-acetylneuraminic acid
cas: 131-48-6
chebiid: CHEBI:173082
dtxsid: DTXSID0050425
formula: C11H19NO9
inchikey: KBGAYAKRZNYFFG-BOHATCBPSA-N
norman_susdat_id: NS00041983
pubchem_cid: 14017587
smiles: O=C(O)C(=O)CC(O)C(NC(=O)C)C(O)C(O)C(O)CO
inchi:
InChI=1/C11H19NO9/c1-4(14)12-8(5(15)2-6(16)11(20)21)10(19)9(18)7(17)3-13/h5,7-10,13,15,17-19H,2-3H2,1H3,(H,12,14)(H,20,21)


name: Diatrizoate meglumine
cas: 131-49-7
chebiid: CHEBI:31812
dtxsid: DTXSID20897171
formula: C18H26I3N3O9
inchikey: MIKKOBKEXMRYFQ-WZTVWXICSA-N
norman_susdat_id: NS00075412
smiles: CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CC(=O)NC1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I
inchi:
InChI=1S/C11H9I3N2O4.C7H17NO5/c1-3(17)15-9-6(12)5(11(19)20)7(13)10(8(9)14)16-4(2)18;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2H3,(H,15,17)(H,16,18)(H,19,20);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.0/s1


name: Benzoic acid, 2-[[[4-[(acetylamino)sulfonyl]phenyl]amino]carbonyl]-
cas: 131-69-1
chebiid: CHEBI:135528
chemspiderid: 8256
dtxsid: DTXSID9059620
formula: C16H14N2O6S1
inchikey: SNWQKAWITMVCQW-UHFFFAOYSA-N
norman_susdat_id: NS00009830
pubchem_cid: 8574
smiles: CC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(O)=O)cc1
inchi:
InChI=1S/C16H14N2O6S/c1-10(19)18-25(23,24)12-8-6-11(7-9-12)17-15(20)13-4-2-3-5-14(13)16(21)22/h2-9H,1H3,(H,17,20)(H,18,19)(H,21,22)


name: Meptyldinocap
cas: 131-72-6
chebiid: CHEBI:83375
chemspiderid: 4447464
dtxsid: DTXSID90274056
formula: C18H24N2O6
inchikey: NIOPZPCMRQGZCE-WEVVVXLNSA-N
norman_susdat_id: NS00014296
pubchem_cid: 76966106
smiles: CCCCCCC(C)c1cc(cc(c1OC(=O)C=CC)[N+]([O-])=O)[N+]([O-])=O
inchi:
InChI=1S/C18H24N2O6/c1-4-6-7-8-10-13(3)15-11-14(19(22)23)12-16(20(24)25)18(15)26-17(21)9-5-2/h5,9,11-13H,4,6-8,10H2,1-3H3/b9-5+


name: 2,2',4,4',6,6'-Hexanitrodiphenylamine
cas: 131-73-7
chemspiderid: 8258
dtxsid: DTXSID4059621
formula: C12H5N7O12
inchikey: CBCIHIVRDWLAME-UHFFFAOYSA-N
norman_susdat_id: NS00006346
pubchem_cid: 8576
smiles: [O-][N+](=O)c1cc(c(Nc2c(cc(cc2[N+]([O-])=O)[N+]([O-])=O)[N+]([O-])=O)c(c1)[N+]([O-])=O)[N+]([O-])=O
inchi:
InChI=1S/C12H5N7O12/c20-14(21)5-1-7(16(24)25)11(8(2-5)17(26)27)13-12-9(18(28)29)3-6(15(22)23)4-10(12)19(30)31/h1-4,13H


name: C.I. Solvent Yellow 6
cas: 131-79-3
chemspiderid: 8260
dtxsid: DTXSID3074498
formula: C17H15N3
inchikey: BWLVSYUUKOQICP-UHFFFAOYSA-N
norman_susdat_id: NS00020739
pubchem_cid: 8578
smiles: Cc1c(cccc1)N=Nc1c2ccccc2ccc1N
inchi:
InChI=1S/C17H15N3/c1-12-6-2-5-9-16(12)19-20-17-14-8-4-3-7-13(14)10-11-15(17)18/h2-11H,18H2,1H3/b20-19+


name: Uridine 2'-monophosphate
cas: 131-83-9
chebiid: CHEBI:77802
dtxsid: DTXSID20156836
formula: C9H13N2O9P
inchikey: HQIDPEYTETUCNF-XVFCMESISA-L
norman_susdat_id: NS00041984
pubchem_cid: 21117616
smiles: O=C1C=CN(C(=O)N1)C2OC(CO)C(O)C2OP(=O)([O-])[O-]
inchi:
InChI=1/C9H13N2O9P/c12-3-4-6(14)7(20-21(16,17)18)8(19-4)11-2-1-5(13)10-9(11)15/h1-2,4,6-8,12,14H,3H2,(H,10,13,15)(H2,16,17,18)/p-2


name: C.I. Vat brown 3
cas: 131-92-0
chemspiderid: 8263
dtxsid: DTXSID2026282
formula: C42H23N3O6
inchikey: AAKMSGQPNUGLAZ-UHFFFAOYSA-N
norman_susdat_id: NS00020985
pubchem_cid: 8581
smiles: O=C(Nc1cc2c([nH]c3c2ccc2c3C(=O)c3cccc(NC(=O)c4ccccc4)c3C2=O)c2c1C(=O)c1ccccc1C2=O)c1ccccc1
inchi:
InChI=1S/C42H23N3O6/c46-37-24-14-7-8-15-25(24)38(47)34-33(37)30(44-42(51)22-12-5-2-6-13-22)20-28-23-18-19-27-32(35(23)45-36(28)34)40(49)26-16-9-17-29(31(26)39(27)48)43-41(50)21-10-3-1-4-11-21/h1-20,45H,(H,43,50)(H,44,51)


name: Inosinic acid
cas: 131-99-7
chebiid: CHEBI:17202
chemspiderid: 8264
dtxsid: DTXSID4044294
formula: C10H13N4O8P1
inchikey: GRSZFWQUAKGDAV-KQYNXXCUSA-N
norman_susdat_id: NS00014854
pubchem_cid: 8582
smiles: O=C3/N=CNc1c3ncn1C2OC(C(O)C2O)COP(=O)(O)O
inchi:
InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1


name: Iron dihydroxide pentakis(sulphate)
cas: 1310-45-8
formula: Fe4H2O22S5
inchi: InChI=1/Fe.5H2O4S.2H2O/c;5*1-5(2,3)4;;/h;5*(H2,1,2,3,4);2*1H2/q+2;;;;;;;/p-12
inchikey: VGQBPRZZMOGNSE-UHFFFAOYSA-B
norman_susdat_id: NS00081310
smiles:
[OH-].[OH-].[Fe+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]


name: ß-D-glucose 1,2,3,4-tetraacetate
cas: 13100-46-4
dtxsid: DTXSID10927032
formula: C14H20O10
inchikey: FEQXFAYSNRWXDW-UHFFFAOYSA-N
norman_susdat_id: NS00051543
pubchem_cid: 349482
smiles: O=C(OC1OC(CO)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C
inchi:
InChI=1/C14H20O10/c1-6(16)20-11-10(5-15)24-14(23-9(4)19)13(22-8(3)18)12(11)21-7(2)17/h10-15H,5H2,1-4H3


name: Boldenone undecylenate
cas: 13103-34-9
chemspiderid: 10128605
dtxsid: DTXSID00156854
formula: C30H44O3
inchikey: AHMMSNQYOPMLSX-CNQKSJKFSA-N
norman_susdat_id: NS00024141
pubchem_cid: 11954310
smiles: CC12CC[C@H]3C(CCC4=CC(=O)C=CC34C)[C@@H]1CC[C@@H]2OC(=O)CCCCCCCCC=C
inchi:
InChI=1S/C30H44O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h4,17,19,21,24-27H,1,5-16,18,20H2,2-3H3/t24-,25-,26-,27-,29-,30-/m0/s1


name: Lauryl stearyl 3,3'-thiodipropionate
cas: 13103-52-1
chemspiderid: 75008
dtxsid: DTXSID0065353
formula: C36H70O4S1
inchikey: RRZCFXQTVDJDGF-UHFFFAOYSA-N
norman_susdat_id: NS00021592
pubchem_cid: 83140
smiles: CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC
inchi:
InChI=1S/C36H70O4S/c1-3-5-7-9-11-13-15-16-17-18-19-20-22-24-26-28-32-40-36(38)30-34-41-33-29-35(37)39-31-27-25-23-21-14-12-10-8-6-4-2/h3-34H2,1-2H3


name: 1,1,1,2,2,3,3,4,4,13,13,14,14,15,15,16,16,16-Octadecafluoro-6,11-diiodohexadecane
cas: 13105-46-9
dtxsid: DTXSID40895417
formula: C16H14F18I2
inchikey: RPPYLFHZJAFBAV-UHFFFAOYSA-N
norman_susdat_id: NS00110366
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(I)CCCCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C16H14F18I2/c17-9(18,11(21,22)13(25,26)15(29,30)31)5-7(35)3-1-2-4-8(36)6-10(19,20)12(23,24)14(27,28)16(32,33)34/h7-8H,1-6H2


name: [2-(acryloyloxy)ethyl]trimethylammonium methyl sulphate
cas: 13106-44-0
formula: C8H16NO2.CH3O4S
inchikey: UZLGVMYVDYNSCS-UHFFFAOYSA-M
norman_susdat_id: NS00084866
smiles: COS(=O)(=O)[O-].C[N+](C)(C)CCOC(=O)C=C
inchi:
InChI=1/C8H16NO2.CH4O4S/c1-5-8(10)11-7-6-9(2,3)4;1-5-6(2,3)4/h5H,1,6-7H2,2-4H3;1H3,(H,2,3,4)/q+1;/p-1


name: Butanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-
cas: 13109-70-1
chemspiderid: 19974340
dtxsid: DTXSID10884575
formula: C14H24O2
inchikey: VIPNQHBVIDJXJE-SUNKGSAMSA-N
norman_susdat_id: NS00113992
pubchem_cid: 21117226
smiles: CCCC(=O)O[C@H]1C[C@H]2CC[C@]1(C)C2(C)C
inchi:
InChI=1S/C14H24O2/c1-5-6-12(15)16-11-9-10-7-8-14(11,4)13(10,2)3/h10-11H,5-9H2,1-4H3/t10-,11+,14+/m1/s1


name: N-[1H-INDOL-3-YL-ACETYL]GLYCINE ACID
cas: 13113-08-1
chebiid: CHEBI:90332
dtxsid: DTXSID10332228
formula: C12H12N2O3
inchikey: YDXXLJMIHMIOIF-UHFFFAOYSA-N
norman_susdat_id: NS00068197
pubchem_cid: 446640
smiles: O=C(O)CNC(=O)Cc1c[nH]c2ccccc12
inchi:
InChI=1S/C12H12N2O3/c15-11(14-7-12(16)17)5-8-6-13-10-4-2-1-3-9(8)10/h1-4,6,13H,5,7H2,(H,14,15)(H,16,17)


name: 10-[2-(dimethylamino)propyl]-N,N-dimethyl-10H-phenothiazine-2-sulphonamide monomethanesulphonate
cas: 13115-40-7
chebiid: CHEBI:31499
formula: C19H25N3O2S2.CH4O3S
inchikey: JGKVKXPDDVRUKC-UHFFFAOYSA-N
norman_susdat_id: NS00085323
smiles: CC(CN1c2ccccc2Sc3ccc(cc13)S(=O)(=O)N(C)C)N(C)C.CS(=O)(=O)O
inchi:
InChI=1/C19H25N3O2S2.CH4O3S/c1-14(20(2)3)13-22-16-8-6-7-9-18(16)25-19-11-10-15(12-17(19)22)26(23,24)21(4)5;1-5(2,3)4/h6-12,14H,13H2,1-5H3;1H3,(H,2,3,4)


name: Glycylglutamine
cas: 13115-71-4
chebiid: CHEBI:74392
chemspiderid: 110444
dtxsid: DTXSID20156917
formula: C7H13N3O4
inchikey: PNMUAGGSDZXTHX-BYPYZUCNSA-N
norman_susdat_id: NS00006609
pubchem_cid: 123913
smiles: NCC(=O)N[C@@H](CCC(N)=O)C(O)=O
inchi:
InChI=1S/C7H13N3O4/c8-3-6(12)10-4(7(13)14)1-2-5(9)11/h4H,1-3,8H2,(H2,9,11)(H,10,12)(H,13,14)/t4-/m0/s1


name: TRIDECYL ERUCATE
cas: 131154-74-0
chemspiderid: 17334431
formula: C35H68O2
inchikey: BGNWQYFHLCCUTB-MSUUIHNZSA-N
norman_susdat_id: NS00014164
pubchem_cid: 16206261
smiles: CCCCCCCCCCCCCOC(=O)CCCCCCCCCCCC=C/CCCCCCCC
inchi:
InChI=1S/C35H68O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-25-27-29-31-33-35(36)37-34-32-30-28-26-24-14-12-10-8-6-4-2/h16-17H,3-15,18-34H2,1-2H3/b17-16-


name: N-(N-glycyl-3-phenyl-L-alanyl)-3-phenyl-L-alanine
cas: 13116-21-7
chebiid: CHEBI:73915
formula: C20H23N3O4
inchikey: FEUPVVCGQLNXNP-IRXDYDNUSA-N
norman_susdat_id: NS00052036
pubchem_cid: NA
smiles: O=C(O)C(NC(=O)C(NC(=O)CN)CC=1C=CC=CC1)CC=2C=CC=CC2
inchi:
InChI=1/C20H23N3O4/c21-13-18(24)22-16(11-14-7-3-1-4-8-14)19(25)23-17(20(26)27)12-15-9-5-2-6-10-15/h1-10,16-17H,11-13,21H2,(H,22,24)(H,23,25)(H,26,27)


name: Efaproxiral
cas: 131179-95-8
dtxsid: DTXSID40156934
formula: C20H23NO4
inchikey: BNFRJXLZYUTIII-UHFFFAOYSA-N
norman_susdat_id: NS00068466
pubchem_cid: 122335
smiles: Cc1cc(C)cc(NC(=O)Cc2ccc(OC(C)(C)C(=O)O)cc2)c1
inchi:
InChI=1S/C20H23NO4/c1-13-9-14(2)11-16(10-13)21-18(22)12-15-5-7-17(8-6-15)25-20(3,4)19(23)24/h5-11H,12H2,1-4H3,(H,21,22)(H,23,24)


name: 1-methylpyrrolidin-3-yl cyclopentylphenylglycolate
cas: 13118-11-1
dtxsid: DTXSID90927111
formula: C18H25NO3
inchikey: OVGMKPGXRHJNKJ-UHFFFAOYSA-N
norman_susdat_id: NS00052037
pubchem_cid: 25727
smiles: O=C(OC1CN(C)CC1)C(O)(C=2C=CC=CC2)C3CCCC3
inchi:
InChI=1/C18H25NO3/c1-19-12-11-16(13-19)22-17(20)18(21,15-9-5-6-10-15)14-7-3-2-4-8-14/h2-4,7-8,15-16,21H,5-6,9-13H2,1H3


name: Deoxynivalenol-3-glucoside
cas: 131180-21-7
chebiid: CHEBI:168268
chemspiderid: 159174
dtxsid: DTXSID10891865
formula: C21H30O11
inchikey: PUMXWMGECQIOGB-SMSDQXDJSA-N
norman_susdat_id: NS00094897
pubchem_cid: 71312510
inchi:
InChI=1S/C21H30O11/c1-8-3-11-20(6-23,16(28)12(8)24)19(2)4-9(17(32-11)21(19)7-29-21)30-18-15(27)14(26)13(25)10(5-22)31-18/h3,9-11,13-18,22-23,25-28H,4-7H2,1-2H3/t9-,10-,11-,13-,14+,15-,16-,17-,18-,19-,20-,21+/m1/s1

smiles:
CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)CO


name: Pyrophen
cas: 131190-56-2
chemspiderid: 116112
dtxsid: DTXSID50156940
formula: C16H17NO4
inchikey: VFMQMACUYWGDOJ-AWEZNQCLSA-N
norman_susdat_id: NS00094955
pubchem_cid: 131349
smiles: CC(=O)N[C@@H](CC1=CC=CC=C1)C2=CC(=CC(=O)O2)OC
inchi:
InChI=1S/C16H17NO4/c1-11(18)17-14(8-12-6-4-3-5-7-12)15-9-13(20-2)10-16(19)21-15/h3-7,9-10,14H,8H2,1-2H3,(H,17,18)/t14-/m0/s1


name: Cyhexatin
cas: 13121-70-5
chebiid: CHEBI:4036
dtxsid: DTXSID1032357
formula: C18H34OSn
inchikey: WCMMILVIRZAPLE-UHFFFAOYSA-M
norman_susdat_id: NS00052038
pubchem_cid: 9864905
smiles: O[Sn](C1CCCCC1)(C2CCCCC2)C3CCCCC3
inchi:
InChI=1/3C6H11.H2O.Sn/c3*1-2-4-6-5-3-1;;/h3*1H,2-6H2;1H2;/q;;;;+1/p-1/rC18H34OSn/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h16-19H,1-15H2


name: 3-Phenyl-N-(3-phenyl-N-((phenylmethoxy)carbonyl)-L-alanyl)-L-alanine
cas: 13122-91-3
chemspiderid: 102652
dtxsid: DTXSID10156961
formula: C26H26N2O5
inchikey: JNRHNGGTJOBXHL-GOTSBHOMSA-N
norman_susdat_id: NS00024152
pubchem_cid: 114619
smiles: OC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1
inchi:
InChI=1S/C26H26N2O5/c29-24(27-23(25(30)31)17-20-12-6-2-7-13-20)22(16-19-10-4-1-5-11-19)28-26(32)33-18-21-14-8-3-9-15-21/h1-15,22-23H,16-18H2,(H,27,29)(H,28,32)(H,30,31)/t22-,23-/m0/s1


name: N-[N-[(phenylmethoxy)carbonyl]-L-phenylalanyl]glycine
cas: 13122-99-1
formula: C19H20N2O5
inchikey: OEIUAJRTESSOCC-INIZCTEOSA-N
norman_susdat_id: NS00052039
pubchem_cid: 6994632
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)NCC(=O)O)CC=2C=CC=CC2
inchi:
InChI=1/C19H20N2O5/c22-17(23)12-20-18(24)16(11-14-7-3-1-4-8-14)21-19(25)26-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,24)(H,21,25)(H,22,23)


name: N-[N-[(benzoyloxy)carbonyl]-L-phenylalanyl]-L-valine
cas: 13123-00-7
formula: C22H24N2O6
inchikey: RELVXGWHKKBFJQ-ROUUACIJSA-N
norman_susdat_id: NS00051965
pubchem_cid: NA
smiles: O=C(OC(=O)C=1C=CC=CC1)NC(C(=O)NC(C(=O)O)C(C)C)CC=2C=CC=CC2
inchi:
InChI=1/C22H24N2O6/c1-14(2)18(20(26)27)24-19(25)17(13-15-9-5-3-6-10-15)23-22(29)30-21(28)16-11-7-4-8-12-16/h3-12,14,17-18H,13H2,1-2H3,(H,23,29)(H,24,25)(H,26,27)


name: N-[N-[(phenylmethoxy)carbonyl]-L-phenylalanyl]-L-isoleucine
cas: 13123-01-8
dtxsid: DTXSID10927133
formula: C23H28N2O5
inchikey: LFHIOOBWQJBUPB-RFFXKOPCSA-N
norman_susdat_id: NS00052040
pubchem_cid: 4135902
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)NC(C(=O)O)C(C)CC)CC=2C=CC=CC2
inchi:
InChI=1/C23H28N2O5/c1-3-16(2)20(22(27)28)25-21(26)19(14-17-10-6-4-7-11-17)24-23(29)30-15-18-12-8-5-9-13-18/h4-13,16,19-20H,3,14-15H2,1-2H3,(H,24,29)(H,25,26)(H,27,28)


name: Samatasvir
cas: 1312547-19-5
dtxsid: DTXSID70156982
formula: C47H48N8O6S2
inchikey: ATOLIHZIXHZSBA-BTSKBWHGSA-N
norman_susdat_id: NS00073467
pubchem_cid: 58310140
inchi:
InChI=1S/C47H48N8O6S2/c1-26(2)38(52-46(58)60-3)44(56)55-21-9-13-37(55)43-49-33-19-18-30(22-34(33)50-43)32-25-63-40-31(24-62-41(32)40)27-14-16-28(17-15-27)35-23-48-42(51-35)36-12-8-20-54(36)45(57)39(53-47(59)61-4)29-10-6-5-7-11-29/h5-7,10-11,14-19,22-26,36-39H,8-9,12-13,20-21H2,1-4H3,(H,48,51)(H,49,50)(H,52,58)(H,53,59)/t36-,37-,38-,39+/m0/s1

smiles:
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2cc(-c3csc4c(-c5ccc(-c6c[nH]c([C@@H]7CCCN7C(=O)[C@H](NC(=O)OC)c7ccccc7)n6)cc5)csc34)ccc2[nH]1)C(C)C


name: Antibiotic PF 1018
cas: 131256-42-3
chemspiderid: 58826221
formula: C28H35NO3
inchikey: WDPIULZTNJKEMP-UHFFFAOYSA-N
norman_susdat_id: NS00067899
pubchem_cid: 54720469
inchi:
InChI=1S/C28H35NO3/c1-15-12-27(5)13-17(3)24-22(16(2)14-28(24,6)18(15)4)19(27)9-10-21(30)23-25(31)20-8-7-11-29(20)26(23)32/h9-10,12-14,18-20,22,24,30H,7-8,11H2,1-6H3


name: Butanoic acid
cas: 131262-82-3
dtxsid: DTXSID10156986
formula: C26H45NO8
inchikey: MKGDNVHZSCXBKR-KYVQNOJUSA-N
norman_susdat_id: NS00098845
pubchem_cid: 60807
smiles: CCCCN1C[C@H](OC(=O)CCC)[C@@H](OC(=O)CCC)[C@H](OC(=O)CCC)[C@H]1COC(=O)CCC
inchi:
InChI=1S/C26H45NO8/c1-6-11-16-27-17-20(33-22(29)13-8-3)26(35-24(31)15-10-5)25(34-23(30)14-9-4)19(27)18-32-21(28)12-7-2/h19-20,25-26H,6-18H2,1-5H3/t19-,20+,25-,26-/m1/s1


name: Erythromycin, 9-oxime
cas: 13127-18-9
chemspiderid: 5020825
formula: C37H68N2O13
inchikey: KYTWXIARANQMCA-ZTILBQITSA-N
norman_susdat_id: NS00003654
pubchem_cid: 6537896
inchi:
InChI=1S/C37H68N2O13/c1-14-25-37(10,45)30(41)20(4)27(38-46)18(2)16-35(8,44)32(52-34-28(40)24(39(11)12)15-19(3)48-34)21(5)29(22(6)33(43)50-25)51-26-17-36(9,47-13)31(42)23(7)49-26/h18-26,28-32,34,40-42,44-46H,14-17H2,1-13H3/b38-27+/t18-,19-,20+,21+,22-,23+,24+,25-,26+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1

smiles:
CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@](C)(O)C[C@@H](C)C(=N/O)[C@H](C)[C@@H](O)[C@]1(C)O


name: (Z)-2,2'-(octadec-9-enylimino)bisethanol
cas: 13127-82-7
formula: C22H45NO2
inchikey: BITAPBDLHJQAID-KTKRTIGZSA-N
norman_susdat_id: NS00085334
smiles: CCCCCCCC\C=C/CCCCCCCCN(CCO)CCO
inchi:
InChI=1/C22H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25/h9-10,24-25H,2-8,11-22H2,1H3


name: Bromazepam,Â hydroxy
cas: 13132-73-5
chemspiderid: 145906
formula: C14H10Br1N3O2
inchikey: URRUSNGCYBXNLO-UHFFFAOYSA-N
norman_susdat_id: NS00002383
pubchem_cid: 166774
smiles: OC1N=C(c2ccccn2)c2cc(Br)ccc2N=C1O
inchi:
InChI=1S/C14H10BrN3O2/c15-8-4-5-10-9(7-8)12(11-3-1-2-6-16-11)18-14(20)13(19)17-10/h1-7,14,20H,(H,17,19)


cas: 1313725-88-0
formula: C17H15N9
inchikey: XYDNMOZJKOGZLS-NSHDSACASA-N
norman_susdat_id: NS00073442
pubchem_cid: 68289010
smiles: C[C@@H](c1ccc2nccn2c1)n1nnc2ncc(-c3cnn(C)c3)nc21
name:
4-[1-(1-{imidazo[1,2-a]pyridin-6-yl}ethyl)-1h-[1,2,3]triazolo[4,5-b]pyrazin-6-yl]-1-methyl-1h-pyrazole

inchi:
InChI=1S/C17H15N9/c1-11(12-3-4-15-18-5-6-25(15)10-12)26-17-16(22-23-26)19-8-14(21-17)13-7-20-24(2)9-13/h3-11H,1-2H3/t11-/m0/s1


name: 3,3'-Dimethyl(1,1'-binaphthalene)-4,4'-diamine
cas: 13138-48-2
chemspiderid: 75033
dtxsid: DTXSID10157019
formula: C22H20N2
inchikey: FTEGMIZQLGXBNA-UHFFFAOYSA-N
norman_susdat_id: NS00024158
pubchem_cid: 83166
smiles: Cc1cc(c2ccccc2c1N)c1c2ccccc2c(N)c(C)c1
inchi:
InChI=1S/C22H20N2/c1-13-11-19(15-7-3-5-9-17(15)21(13)23)20-12-14(2)22(24)18-10-6-4-8-16(18)20/h3-12H,23-24H2,1-2H3


name: N-[(tert-butoxy)carbonyl]-L-tryptophan
cas: 13139-14-5
formula: C16H20N2O4
inchikey: NFVNYBJCJGKVQK-ZDUSSCGKSA-N
norman_susdat_id: NS00086100
smiles: CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
inchi:
InChI=1/C16H20N2O4/c1-16(2,3)22-15(21)18-13(14(19)20)8-10-9-17-12-7-5-4-6-11(10)12/h4-7,9,13,17H,8H2,1-3H3,(H,18,21)(H,19,20)


cas: 13140-24-4
dtxsid: DTXSID00884509
formula: C21F42O7
inchikey: WWLDXJJOBWJDPA-UHFFFAOYSA-N
norman_susdat_id: NS00108931
name:
3,6,9,12,15,18-Hexaoxaheneicosanoyl fluoride, 2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,20,21,21,21-tricosafluoro-2,5,8,11,14,17-hexakis(trifluoromethyl)-

inchi:
InChI=1/C21F42O7/c22-1(64)2(23,9(31,32)33)65-17(54,55)4(26,11(37,38)39)67-19(58,59)6(28,13(43,44)45)69-21(62,63)8(30,15(49,50)51)70-20(60,61)7(29,14(46,47)48)68-18(56,57)5(27,12(40,41)42)66-16(52,53)3(24,25)10(34,35)36

smiles:
FC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F


cas: 13140-25-5
dtxsid: DTXSID10884510
formula: C24F48O8
inchikey: GYBQTMUKFVWQKV-UHFFFAOYSA-N
norman_susdat_id: NS00109296
name:
3,6,9,12,15,18,21-Heptaoxatetracosanoyl fluoride, 2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,23,24,24,24-hexacosafluoro-2,5,8,11,14,17,20-heptakis(trifluoromethyl)-

inchi:
InChI=1/C24F48O8/c25-1(73)2(26,10(35,36)37)74-19(61,62)4(29,12(41,42)43)76-21(65,66)6(31,14(47,48)49)78-23(69,70)8(33,16(53,54)55)80-24(71,72)9(34,17(56,57)58)79-22(67,68)7(32,15(50,51)52)77-20(63,64)5(30,13(44,45)46)75-18(59,60)3(27,28)11(38,39)40

smiles:
FC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F


cas: 13140-26-6
dtxsid: DTXSID70884511
formula: C27F54O9
inchikey: CCQXLJSVUNLMMK-UHFFFAOYSA-N
norman_susdat_id: NS00111360
name:
3,6,9,12,15,18,21,24-Octaoxaheptacosanoyl fluoride, 2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,25,25,26,26,27,27,27-nonacosafluoro-2,5,8,11,14,17,20,23-octakis(trifluoromethyl)-

inchi:
InChI=1/C27F54O9/c28-1(82)2(29,11(39,40)41)83-21(68,69)4(32,13(45,46)47)85-23(72,73)6(34,15(51,52)53)87-25(76,77)8(36,17(57,58)59)89-27(80,81)10(38,19(63,64)65)90-26(78,79)9(37,18(60,61)62)88-24(74,75)7(35,16(54,55)56)86-22(70,71)5(33,14(48,49)50)84-20(66,67)3(30,31)12(42,43)44

smiles:
FC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F


cas: 1314143-88-8
formula: C47H54N6O3
inchikey: BQZUYCCCNXOADJ-TVNMEPFQSA-N
norman_susdat_id: NS00072960
pubchem_cid: 53303762
name:
N-{[4-(4-acetylpiperazin-1-yl)phenyl]methyl}-3-(4-tert-butylphenyl)-n-(1-{4-[(4-cyanophenyl)methyl]piperazin-1-yl}-1-oxo-3-phenylpropan-2-yl)prop-2-enamide

inchi:
InChI=1S/C47H54N6O3/c1-36(54)50-28-30-51(31-29-50)43-21-16-41(17-22-43)35-53(45(55)23-18-37-14-19-42(20-15-37)47(2,3)4)44(32-38-8-6-5-7-9-38)46(56)52-26-24-49(25-27-52)34-40-12-10-39(33-48)11-13-40/h5-23,44H,24-32,34-35H2,1-4H3/b23-18+/t44-/m0/s1

smiles:
CC(=O)N1CCN(c2ccc(CN(C(=O)/C=C/c3ccc(C(C)(C)C)cc3)[C@@H](Cc3ccccc3)C(=O)N3CCN(Cc4ccc(C#N)cc4)CC3)cc2)CC1


name: N,N'-[(phenylmethylene)di-4,1-phenylene]bis(acetamide)
cas: 13145-01-2
dtxsid: DTXSID80927206
formula: C23H22N2O2
inchikey: OPJRKWVQWFDDIY-UHFFFAOYSA-N
norman_susdat_id: NS00052081
pubchem_cid: 83178
smiles: O=C(NC1=CC=C(C=C1)C(C=2C=CC=CC2)C3=CC=C(C=C3)NC(=O)C)C
inchi:
InChI=1/C23H22N2O2/c1-16(26)24-21-12-8-19(9-13-21)23(18-6-4-3-5-7-18)20-10-14-22(15-11-20)25-17(2)27/h3-15,23H,1-2H3,(H,24,26)(H,25,27)


name: 3-(benzylamino)hexahydro-2H-azepin-2-one
cas: 13147-86-9
dtxsid: DTXSID50927213
formula: C13H18N2O
inchikey: JRGFAORRKSDLLX-UHFFFAOYSA-N
norman_susdat_id: NS00052103
pubchem_cid: 114468
smiles: O=C1NCCCCC1NCC=2C=CC=CC2
inchi:
InChI=1/C13H18N2O/c16-13-12(8-4-5-9-14-13)15-10-11-6-2-1-3-7-11/h1-3,6-7,12,15H,4-5,8-10H2,(H,14,16)


name: Triaziflam
cas: 131475-57-5
chemspiderid: 9122813
dtxsid: DTXSID6057956
formula: C17H24F1N5O1
inchikey: IUFUITYPUYMIHI-UHFFFAOYNA-N
norman_susdat_id: NS00021596
pubchem_cid: NA
smiles: CC(COc1cc(C)cc(C)c1)Nc1nc(nc(N)n1)C(C)(C)F
inchi:
InChI=1S/C17H24FN5O/c1-10-6-11(2)8-13(7-10)24-9-12(3)20-16-22-14(17(4,5)18)21-15(19)23-16/h6-8,12H,9H2,1-5H3,(H3,19,20,21,22,23)/t12-/m1/s1


name: cis-cyclohexane-1,2-dicarboxylic anhydride
cas: 13149-00-3
formula: C8H10O3
inchikey: BHUJRLVPGNPDNJ-IWDIQUIJSA-N
norman_susdat_id: NS00085297
smiles: OC(=O)[C@@H]1CCCC[C@@H]1C(=O)OC(=O)[C@@H]2CCCC[C@@H]2C(=O)O
inchi:
InChI=1/C16H22O7/c17-13(18)9-5-1-3-7-11(9)15(21)23-16(22)12-8-4-2-6-10(12)14(19)20/h9-12H,1-8H2,(H,17,18)(H,19,20)


name: D-gluconic acid, 6-ester with N,N-diisopropylglycine
cas: 13149-68-3
formula: C14H27NO8
inchikey: CUEHNLMLFJFMER-UHFFFAOYSA-N
norman_susdat_id: NS00086101
smiles: CC(C)N(CC(=O)OCC(O)C(O)C(O)C(O)C(=O)O)C(C)C
inchi:
InChI=1/C14H27NO8/c1-7(2)15(8(3)4)5-10(17)23-6-9(16)11(18)12(19)13(20)14(21)22/h7-9,11-13,16,18-20H,5-6H2,1-4H3,(H,21,22)


name: 6-[bis[bis(isopropyl)amino]acetate]-D-gluconic acid
cas: 13149-69-4
formula: C20H40N2O8
inchikey: RVSTWRHIGKXTLG-UHFFFAOYSA-N
norman_susdat_id: NS00051607
pubchem_cid: NA
smiles: O=C(O)C(O)C(O)C(O)C(O)COC(=O)C(N(C(C)C)C(C)C)N(C(C)C)C(C)C
inchi:
InChI=1/C20H40N2O8/c1-10(2)21(11(3)4)18(22(12(5)6)13(7)8)20(29)30-9-14(23)15(24)16(25)17(26)19(27)28/h10-18,23-26H,9H2,1-8H3,(H,27,28)


name: C18 Alcohol, predominately linear, 12 EO
cas: 13149-85-4
chemspiderid: 57509503
dtxsid: DTXSID70855105
formula: C42H86O13
inchikey: LAHYRVKTBDEJGJ-UHFFFAOYSA-N
norman_susdat_id: NS00095705
pubchem_cid: 71446675
smiles: OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C42H86O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-44-21-23-46-25-27-48-29-31-50-33-35-52-37-39-54-41-42-55-40-38-53-36-34-51-32-30-49-28-26-47-24-22-45-20-18-43/h43H,2-42H2,1H3


name: C18 Alcohol, predominately linear, 10 EO
cas: 13149-86-5
chemspiderid: 9882186
formula: C38H78O11
inchikey: HNUQMTZUNUBOLQ-UHFFFAOYSA-N
norman_susdat_id: NS00095683
pubchem_cid: 11707463
smiles: OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C38H78O11/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-40-21-23-42-25-27-44-29-31-46-33-35-48-37-38-49-36-34-47-32-30-45-28-26-43-24-22-41-20-18-39/h39H,2-38H2,1H3


name: Sodium lauryltrioxyethylene sulfate
cas: 13150-00-0
chemspiderid: 23984
dtxsid: DTXSID3052852
formula: C18H38O7S1
inchikey: SXHLENDCVBIJFO-UHFFFAOYSA-M
norman_susdat_id: NS00019388
pubchem_cid: 23674622
smiles: [Na+].CCCCCCCCCCCCOCCOCCOCCOS(=O)(=O)[O-]
inchi:
InChI=1S/C18H38O7S/c1-2-3-4-5-6-7-8-9-10-11-12-22-13-14-23-15-16-24-17-18-25-26(19,20)21/h2-18H2,1H3,(H,19,20,21)


name: 2-Propenoic acid, 4-[[(4-benzoylphenoxy)carbonyl]oxy]butyl ester
cas: 131513-00-3
chemspiderid: 19442044
dtxsid: DTXSID7075183
formula: C21H20O6
inchikey: XEJDJFHDOJHPJB-UHFFFAOYSA-N
norman_susdat_id: NS00002732
pubchem_cid: 14746151
smiles: C=CC(=O)OCCCCOC(=O)Oc1ccc(cc1)C(=O)c1ccccc1
inchi:
InChI=1S/C21H20O6/c1-2-19(22)25-14-6-7-15-26-21(24)27-18-12-10-17(11-13-18)20(23)16-8-4-3-5-9-16/h2-5,8-13H,1,6-7,14-15H2


name: WIN 55,212-2
cas: 131543-22-1
chebiid: CHEBI:73295
chemspiderid: 4470978
dtxsid: DTXSID40894849
formula: C27H26N2O3
inchikey: HQVHOQAKMCMIIM-HXUWFJFHSA-N
norman_susdat_id: NS00098698
pubchem_cid: 5311501
smiles: C1=C(C(=O)C2=CC=CC3=C2C=CC=C3)C2=CC=CC3=C2N1[C@H](CN1CCOCC1)CO3
inchi:
InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1


cas: 131543-23-2
chemspiderid: 5487
dtxsid: DTXSID50424974
formula: C27H26N2O3
inchikey: HQVHOQAKMCMIIM-UHFFFAOYSA-N
norman_susdat_id: NS00006965
pubchem_cid: 5689
smiles: Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OCC(CN4CCOCC4)n1c23
name:
Methanesulfonic acid--{(3R)-5-methyl-3-[(morpholin-4-yl)methyl]-2,3-dihydro[1,4]oxazino[2,3,4-hi]indol-6-yl}(naphthalen-1-yl)methanone (1/1)

inchi:
InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3


name: 3-(6,6,7,7,8,8,9,9,10,10,11,11,11-Tridecafluoroundecyl)benzene-1,2-diol
cas: 131545-70-5
dtxsid: DTXSID70895980
formula: C17H15F13O2
inchikey: YSINYTWRJZQLMC-UHFFFAOYSA-N
norman_susdat_id: NS00111443
smiles: Oc1cccc(CCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1O
inchi:
InChI=1S/C17H15F13O2/c18-12(19,8-3-1-2-5-9-6-4-7-10(31)11(9)32)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h4,6-7,31-32H,1-3,5,8H2


name: 3-(12,12,13,13,14,14,15,15,15-Nonafluoropentadecyl)benzene-1,2-diol
cas: 131545-71-6
dtxsid: DTXSID60895974
formula: C21H27F9O2
inchikey: VOSLQIFOYWLTEL-UHFFFAOYSA-N
norman_susdat_id: NS00111081
smiles: Oc1cccc(CCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1O
inchi:
InChI=1S/C21H27F9O2/c22-18(23,19(24,25)20(26,27)21(28,29)30)14-9-7-5-3-1-2-4-6-8-11-15-12-10-13-16(31)17(15)32/h10,12-13,31-32H,1-9,11,14H2


name: Xanthylium, 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethyl-, perchlorate
cas: 13161-28-9
chemspiderid: 13209
dtxsid: DTXSID4065365
formula: C28H31N2O3
inchikey: WUONMKNUJIXUFL-UHFFFAOYSA-M
norman_susdat_id: NS00024169
pubchem_cid: NA
smiles: [Cl-].CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c2cc1C)c1c(cccc1)C(=O)OCC
inchi:
InChI=1S/C28H31N2O3/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25/h9-16,29-30H,6-8H2,1-5H3/q+1


name: (Z)-4,4'-(1,3-phenylenediimino)bis[4-oxoisocrotonic] acid
cas: 13161-99-4
formula: C14H12N2O6
inchikey: SKDIMRRKRVTENP-PEPZGXQESA-N
norman_susdat_id: NS00052007
pubchem_cid: 6436387
smiles: O=C(O)C=CC(=O)NC1=CC=CC(=C1)NC(=O)C=CC(=O)O
inchi:
InChI=1/C14H12N2O6/c17-11(4-6-13(19)20)15-9-2-1-3-10(8-9)16-12(18)5-7-14(21)22/h1-8H,(H,15,17)(H,16,18)(H,19,20)(H,21,22)


cas: 1316184-44-7
chemspiderid: NA
formula: C38H30N11O16S4
inchikey: FXDZGEHGDLOBCJ-UHFFFAOYSA-O
norman_susdat_id: NS00002077
pubchem_cid: 89803079
name:
Pyridinium, 1-[4-[[4-[2-[5-(acetylamino)-2-methoxy-4-[2-(3,6,8-trisulfo-2-naphthalenyl)diazenyl]phenyl]diazenyl]-8-sulfo-1-naphthalenyl]amino]-6-amino-1,3,5-triazin-2-yl]-3-carboxy-

inchi:
InChI=1S/C38H29N11O16S4/c1-18(50)40-26-15-28(30(65-2)16-27(26)46-48-29-14-23-20(12-33(29)69(62,63)64)11-21(66(53,54)55)13-32(23)68(59,60)61)47-45-24-8-9-25(34-22(24)6-3-7-31(34)67(56,57)58)41-37-42-36(39)43-38(44-37)49-10-4-5-19(17-49)35(51)52/h3-17H,1-2H3,(H8-,39,40,41,42,43,44,47,48,50,51,52,53,54,55,56,57,58,59,60,61,62,63,64)/p+1

smiles:
COc1cc(N=Nc2cc3c(cc(cc3cc2S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c(NC(C)=O)cc1N=Nc1ccc(Nc2nc(N)nc(n2)-[n+]2cccc(c2)C(O)=O)c2c(cccc12)S(O)(=O)=O


cas: 1316184-79-8
chemspiderid: NA
formula: C29H21N8O11S3
inchikey: PJHRHRJJGILIIT-UHFFFAOYSA-N
norman_susdat_id: NS00007279
pubchem_cid: NA
name:
Pyridinium, 1-[4-amino-6-[[4-[2-(4,8-disulfo-2-naphthalenyl)diazenyl]-8-sulfo-1-naphthalenyl]amino]-1,3,5-triazin-2-yl]-3-carboxy-,

inchi:
InChI=1S/C29H20N8O11S3/c30-27-32-28(34-29(33-27)37-11-3-4-15(14-37)26(38)39)31-21-10-9-20(18-6-2-8-23(25(18)21)50(43,44)45)36-35-16-12-19-17(24(13-16)51(46,47)48)5-1-7-22(19)49(40,41)42/h1-14H,(H6-,30,31,32,33,34,35,38,39,40,41,42,43,44,45,46,47,48)

smiles:
Nc1nc(Nc2ccc(N=Nc3cc(c4cccc(c4c3)S(O)(=O)=O)S(O)(=O)=O)c3cccc(c23)S(O)(=O)=O)nc(n1)-[n+]1cccc(c1)C([O-])=O


name: Ricolinostat
cas: 1316214-52-4
chebiid: CHEBI:95073
dtxsid: DTXSID40157148
formula: C24H27N5O3
inchikey: QGZYDVAGYRLSKP-UHFFFAOYSA-N
norman_susdat_id: NS00073045
pubchem_cid: 53340666
smiles: O=C(CCCCCCNC(=O)c1cnc(N(c2ccccc2)c2ccccc2)nc1)NO
inchi:
InChI=1S/C24H27N5O3/c30-22(28-32)15-9-1-2-10-16-25-23(31)19-17-26-24(27-18-19)29(20-11-5-3-6-12-20)21-13-7-4-8-14-21/h3-8,11-14,17-18,32H,1-2,9-10,15-16H2,(H,25,31)(H,28,30)


name: Heliettin
cas: 13164-04-0
dtxsid: DTXSID50927298
formula: C19H22O4
inchikey: JCDLLLXYAICSQV-INIZCTEOSA-N
norman_susdat_id: NS00068419
pubchem_cid: 5287846
smiles: C=CC(C)(C)c1cc2cc3c(cc2oc1=O)O[C@H](C(C)(C)O)C3
inchi:
InChI=1S/C19H22O4/c1-6-18(2,3)13-8-11-7-12-9-16(19(4,5)21)22-14(12)10-15(11)23-17(13)20/h6-8,10,16,21H,1,9H2,2-5H3/t16-/m0/s1


cas: 13164-93-7
formula: C29H22N6O7S
inchikey: KMXAIEOTYSTQLN-UHFFFAOYSA-L
norman_susdat_id: NS00052819
pubchem_cid: NA
name:
Disodium 5-[[4'-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo][1,1'-biphenyl]-4-yl]azo]salicylate

inchi:
InChI=1/C29H22N6O7S.2Na/c1-17-27(28(37)35(34-17)23-11-13-24(14-12-23)43(40,41)42)33-31-21-8-4-19(5-9-21)18-2-6-20(7-3-18)30-32-22-10-15-26(36)25(16-22)29(38)39;;/h2-16,27,36H,1H3,(H,38,39)(H,40,41,42);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC=2C=CC(=CC2)C3=CC=C(N=NC4C(=O)N(N=C4C)C5=CC=C(C=C5)S(=O)(=O)[O-])C=C3)=CC=C1O


name: Bis[4-(tert-butyl)benzoato-O]hydroxyaluminium
cas: 13170-05-3
formula: C22H27AlO5
inchikey: OYFUVZBROQZLCL-UHFFFAOYSA-K
norman_susdat_id: NS00084925
smiles: CC(C)(C)c1ccc(cc1)C(=O)O[Al](O)OC(=O)c2ccc(cc2)C(C)(C)C
inchi:
InChI=1/2C11H14O2.Al.H2O/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;;/h2*4-7H,1-3H3,(H,12,13);;1H2/q;;+3;/p-3/rC22H27AlO5/c1-21(2,3)17-11-7-15(8-12-17)19(24)27-23(26)28-20(25)16-9-13-18(14-10-16)22(4,5)6/h7-14,26H,1-6H3


name: Arbidol
cas: 131707-23-8
chebiid: CHEBI:134730
dtxsid: DTXSID60895015
formula: C22H25BrN2O3S
inchikey: KCFYEAOKVJSACF-UHFFFAOYSA-N
norman_susdat_id: NS00071612
pubchem_cid: 131411
smiles: CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(O)c(CN(C)C)c12
inchi:
InChI=1S/C22H25BrN2O3S/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3


name: Trimetazidine dihydrochloride
cas: 13171-25-0
chebiid: CHEBI:32262
formula: C14H22N2O3.2ClH
inchikey: VYFLPFGUVGMBEP-UHFFFAOYSA-N
norman_susdat_id: NS00084947
smiles: Cl.Cl.COc1ccc(CN2CCNCC2)c(OC)c1OC
inchi:
InChI=1/C14H22N2O3.2ClH/c1-17-12-5-4-11(13(18-2)14(12)19-3)10-16-8-6-15-7-9-16;;/h4-5,15H,6-10H2,1-3H3;2*1H


name: Ethyl (Z,Z)-9,9-dibutyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate
cas: 13173-04-1
formula: C20H32O8Sn
inchikey: OSGZEAQLLRZGHT-VGKOASNMSA-L
norman_susdat_id: NS00051662
pubchem_cid: 73307703
smiles: O=C(OCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCC)(CCCC)CCCC
inchi:
InChI=1/2C6H8O4.2C4H9.Sn/c2*1-2-10-6(9)4-3-5(7)8;2*1-3-4-2;/h2*3-4H,2H2,1H3,(H,7,8);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC20H32O8Sn/c1-5-9-15-29(16-10-6-2,27-19(23)13-11-17(21)25-7-3)28-20(24)14-12-18(22)26-8-4/h11-14H,5-10,15-16H2,1-4H3


name: Alvocidib
cas: 131740-09-5
chebiid: CHEBI:47344
dtxsid: DTXSID20904970
formula: C21H20ClNO5
inchikey: BIIVYFLTOXDAOV-YVEFUNNKSA-N
norman_susdat_id: NS00071644
pubchem_cid: 5287969
smiles: CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1
inchi:
InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1


name: Levosimendan | Simendan
cas: 131741-08-7
dtxsid: DTXSID20861357
formula: C14H12N6O
inchikey: WHXMKTBCFHIYNQ-VIFPVBQESA-N
norman_susdat_id: NS00068108
pubchem_cid: 9900337
smiles: C[C@H]1CC(=O)NN=C1c1ccc(NN=C(C#N)C#N)cc1
inchi:
InChI=1S/C14H12N6O/c1-9-6-13(21)19-20-14(9)10-2-4-11(5-3-10)17-18-12(7-15)8-16/h2-5,9,17H,6H2,1H3,(H,19,21)/t9-/m0/s1


name: (17beta)-3-Oxoestr-4-en-17-yl beta-D-glucopyranosiduronic acid
cas: 131749-24-1
dtxsid: DTXSID10609023
formula: C24H34O8
inchikey: ISBYSZZUCBXGIH-BWMLPLRISA-N
norman_susdat_id: NS00096974
inchi:
InChI=1S/C24H34O8/c1-24-9-8-14-13-5-3-12(25)10-11(13)2-4-15(14)16(24)6-7-17(24)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h10,13-21,23,26-28H,2-9H2,1H3,(H,29,30)/t13-,14+,15+,16-,17-,18-,19-,20+,21-,23+,24-/m0/s1

smiles:
C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)CCC5=CC(=O)CC[C@H]35


name: (2,3-diphenylcyclopropyl)methyl phenyl sulfoxide, trans-
cas: 131758-71-9
chebiid: CHEBI:84273
dtxsid: DTXSID70880917
formula: C22H20OS
inchikey: MVULGCSHGFLUBH-UHFFFAOYSA-N
norman_susdat_id: NS00100918
smiles: O=S(CC1C(C1c1ccccc1)c1ccccc1)c1ccccc1
inchi:
InChI=1/C22H20OS/c23-24(19-14-8-3-9-15-19)16-20-21(17-10-4-1-5-11-17)22(20)18-12-6-2-7-13-18/h1-15,20-22H,16H2


name: Dimethyloctadecyl(3-sulphopropyl)ammonium hydroxide
cas: 13177-41-8
formula: C23H50NO3S
inchikey: RWWMTLBGGWWMJA-UHFFFAOYSA-N
norman_susdat_id: NS00052845
pubchem_cid: 23500171
smiles: [OH-].O=S(=O)(O)CCC[N+](C)(C)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C23H49NO3S.H2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2,3)22-20-23-28(25,26)27;/h4-23H2,1-3H3;1H2


name: Sodium icosyl sulphate
cas: 13177-49-6
formula: C20H42O4S.Na
inchikey: QNVVZAPPULYURG-UHFFFAOYSA-M
norman_susdat_id: NS00086146
smiles: [Na+].CCCCCCCCCCCCCCCCCCCCOS(=O)(=O)[O-]
inchi:
InChI=1/C20H42O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23;/h2-20H2,1H3,(H,21,22,23);/q;+1/p-1


name: Sodium docosyl sulphate
cas: 13177-50-9
dtxsid: DTXSID60927345
formula: C22H46O4S
inchikey: CVPADSYHPKIYAH-UHFFFAOYSA-M
norman_susdat_id: NS00052120
pubchem_cid: 166782
smiles: [Na+].O=S(=O)([O-])OCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C22H46O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-27(23,24)25;/h2-22H2,1H3,(H,23,24,25);/q;+1/p-1


name: 3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-4-(iodomethyl)oxolane
cas: 131771-31-8
dtxsid: DTXSID20379422
formula: C14H10F17IO
inchikey: QBAODHXWEYFWJU-UHFFFAOYSA-N
norman_susdat_id: NS00109506
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1COCC1CI
inchi:
InChI=1S/C14H10F17IO/c15-7(16,1-5-3-33-4-6(5)2-32)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h5-6H,1-4H2


name: 4-(4-Pentylcyclohexyl)phenyl 4'-propyl[1,1'-bi(cyclohexane)]-4-carboxylate
cas: 131790-57-3
chemspiderid: 13617770
dtxsid: DTXSID40566670
formula: C33H52O2
inchikey: HNSOCAVSNSWNJJ-UHFFFAOYSA-N
norman_susdat_id: NS00024173
pubchem_cid: 14993612
smiles: CCCCCC1CCC(CC1)C1=CC=C(OC(=O)C2CCC(CC2)C2CCC(CCC)CC2)C=C1
inchi:
InChI=1S/C33H52O2/c1-3-5-6-8-26-11-15-28(16-12-26)30-21-23-32(24-22-30)35-33(34)31-19-17-29(18-20-31)27-13-9-25(7-4-2)10-14-27/h21-29,31H,3-20H2,1-2H3/t25-,26-,27-,28+,29-,31-


name: kaolinite
cas: 1318-74-7
dtxsid: DTXSID70892217
formula: Al4H16O21Si2
inchikey: ZZNRHPMDVHETDM-UHFFFAOYSA-A
norman_susdat_id: NS00112651
inchi:
InChI=1S/4Al.O5Si2.16H2O/c;;;;1-6(2)5-7(3)4;;;;;;;;;;;;;;;;/h;;;;;16*1H2/q4*+3;-2;;;;;;;;;;;;;;;;/p-16

smiles:
[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[O-][Si](=O)O[Si]([O-])=O


name: Famoxadone
cas: 131807-57-3
chebiid: CHEBI:83250
chemspiderid: 184727
dtxsid: DTXSID8034588
formula: C22H18N2O4
inchikey: PCCSBWNGDMYFCW-UHFFFAOYSA-N
norman_susdat_id: NS00000488
pubchem_cid: 213032
smiles: CC1(OC(=O)N(NC2=CC=CC=C2)C1=O)C1=CC=C(OC2=CC=CC=C2)C=C1
eea_notation: CAS_131807-57-3
inchi:
InChI=1S/C22H18N2O4/c1-22(16-12-14-19(15-13-16)27-18-10-6-3-7-11-18)20(25)24(21(26)28-22)23-17-8-4-2-5-9-17/h2-15,23H,1H3


name: Bromofenoxim
cas: 13181-17-4
chebiid: CHEBI:82194
chemspiderid: 4514502
dtxsid: DTXSID1041681
formula: C13H7Br2N3O6
inchikey: XTFNPKDYCLFGPV-OMCISZLKSA-N
norman_susdat_id: NS00000483
pubchem_cid: NA
smiles: C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])ONC=C2C=C(C(=O)C(=C2)Br)Br
inchi:
InChI=1S/C13H7Br2N3O6/c14-9-3-7(4-10(15)13(9)19)6-16-24-12-2-1-8(17(20)21)5-11(12)18(22)23/h1-6,19H/b16-6+


name: 1,3-Dioxolane, 2,4-dimethyl-2-(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)-
cas: 131812-52-7
chemspiderid: 2298767
dtxsid: DTXSID00888946
formula: C19H28O2
inchikey: JEPWTUCYPWOCQV-UHFFFAOYSA-N
norman_susdat_id: NS00024174
pubchem_cid: 3034278
smiles: CC1COC(O1)(C)c2ccc3c(c2)C(CCC3(C)C)(C)C
inchi:
InChI=1S/C19H28O2/c1-13-12-20-19(6,21-13)14-7-8-15-16(11-14)18(4,5)10-9-17(15,2)3/h7-8,11,13H,9-10,12H2,1-6H3/t13-,19+/m0/s1


name: Sodium 3-[(hexadecylamino)carbonyl]-4-hydroxynaphthalene-1-sulphonate
cas: 13183-81-8
dtxsid: DTXSID40157224
formula: C27H41NO5S
inchikey: SMFCODVQSWXCGR-UHFFFAOYSA-M
norman_susdat_id: NS00051663
pubchem_cid: 3014720
smiles: [Na+].O=C(NCCCCCCCCCCCCCCCC)C=1C=C(C=2C=CC=CC2C1O)S(=O)(=O)[O-]
inchi:
InChI=1/C27H41NO5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-28-27(30)24-21-25(34(31,32)33)22-18-15-16-19-23(22)26(24)29;/h15-16,18-19,21,29H,2-14,17,20H2,1H3,(H,28,30)(H,31,32,33);/q;+1/p-1


name: 2,2'-[oxybis(methylene)]bis[2-[(nitrooxy)methyl]propane-1,3-diyl] tetranitrate
cas: 13184-80-0
dtxsid: DTXSID50884579
formula: C10H22N6O19
inchikey: BGXZDPSXQZVBGX-UHFFFAOYSA-N
norman_susdat_id: NS00052121
pubchem_cid: 83215
smiles: O=[N+]([O-])OCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])COCC(CO[N+](=O)[O-])(CO[N+](=O)[O-])CO[N+](=O)[O-]
inchi:
InChI=1/C10H16N6O19/c17-11(18)30-3-9(4-31-12(19)20,5-32-13(21)22)1-29-2-10(6-33-14(23)24,7-34-15(25)26)8-35-16(27)28/h1-8H2


name: 1,1,1,2,2,3,3,4,4-Nonafluorohexadec-5-ene
cas: 131851-20-2
dtxsid: DTXSID40895295
formula: C16H23F9
inchikey: RAQFLOSJQUOABH-UHFFFAOYSA-N
norman_susdat_id: NS00110354
smiles: CCCCCCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C16H23F9/c1-2-3-4-5-6-7-8-9-10-11-12-13(17,18)14(19,20)15(21,22)16(23,24)25/h11-12H,2-10H2,1H3


name: Trisodium 5,5'-(3-carboxylato-4-oxocyclohexa-2,5-dienylidenemethylene)di(salicylate)
cas: 13186-45-3
chebiid: CHEBI:87394
formula: C22H14O9.3Na
inchikey: XWOVYFGIWQEHHR-UHFFFAOYSA-K
norman_susdat_id: NS00086147
smiles: [Na+].[Na+].[Na+].Oc1ccc(cc1C(=O)[O-])C(=C2C=CC(=O)C(=C2)C(=O)[O-])c3ccc(O)c(c3)C(=O)[O-]
inchi:
InChI=1/C22H14O9.3Na/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31;;;/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31);;;/q;3*+1/p-3


name: Azoxystrobin
cas: 131860-33-8
chebiid: CHEBI:40909
chemspiderid: 2298772
dtxsid: DTXSID0032520
formula: C22H17N3O5
inchikey: WFDXOXNFNRHQEC-GHRIWEEISA-N
norman_susdat_id: NS00009778
pubchem_cid: 3034285
smiles: COC=C(C(=O)OC)c1ccccc1Oc1cc(Oc2ccccc2C#N)ncn1
eea_notation: CAS_131860-33-8
inchi:
InChI=1S/C22H17N3O5/c1-27-13-17(22(26)28-2)16-8-4-6-10-19(16)30-21-11-20(24-14-25-21)29-18-9-5-3-7-15(18)12-23/h3-11,13-14H,1-2H3/b17-13+


name: Sonedenoson
cas: 131865-88-8
dtxsid: DTXSID90157239
formula: C18H20ClN5O5
inchikey: WUCQGGOGHZRELS-LSCFUAHRSA-N
norman_susdat_id: NS00069684
pubchem_cid: 9910098
smiles: Nc1nc(OCCc2ccc(Cl)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
inchi:
InChI=1S/C18H20ClN5O5/c19-10-3-1-9(2-4-10)5-6-28-18-22-15(20)12-16(23-18)24(8-21-12)17-14(27)13(26)11(7-25)29-17/h1-4,8,11,13-14,17,25-27H,5-7H2,(H2,20,22,23)/t11-,13-,14-,17-/m1/s1


name: 1-methyl-4-(9H-thioxanthen-9-ylidene)piperidinium hydrogen maleate
cas: 13187-06-9
formula: C19H19NS.C4H4O4
inchikey: IPANUAHQWFDVAG-BTJKTKAUSA-M
norman_susdat_id: NS00085397
smiles: C[NH+]1CCC(=C2c3ccccc3Sc4ccccc24)CC1.[O-]C(=O)\C=C/C(=O)[O-]
inchi:
InChI=1/C19H19NS.C4H4O4/c1-20-12-10-14(11-13-20)19-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)19;5-3(6)1-2-4(7)8/h2-9H,10-13H2,1H3;1-2H,(H,5,6)(H,7,8)/p-1


name: ALANINE GLUTAMATE
cas: 13187-90-1
chemspiderid: 570863
formula: C8H14N2O5
inchikey: VYZAGTDAHUIRQA-UHFFFAOYSA-N
norman_susdat_id: NS00013348
pubchem_cid: 656476
smiles: C[C@H](N)C(=O)N[C@@H](CCC(O)=O)C(O)=O
inchi:
InChI=1S/C8H14N2O5/c1-4(9)7(13)10-5(8(14)15)2-3-6(11)12/h4-5H,2-3,9H2,1H3,(H,10,13)(H,11,12)(H,14,15)/t4-,5-/m0/s1


name: Trilead bis(carbonate) dihydroxide
cas: 1319-46-6
formula: C2H2O8Pb3
inchikey: RYZCLUQMCYZBJQ-UHFFFAOYSA-H
norman_susdat_id: NS00080992
smiles: [OH-].[OH-].[Pb+2].[Pb+2].[Pb+2].[O-]C(=O)[O-].[O-]C(=O)[O-]
inchi:
InChI=1/2CH2O3.2H2O.3Pb.6H/c2*2-1(3)4;;;;;;;;;;;/h2*(H2,2,3,4);2*1H2;;;;;;;;;/q;;;;3*+4;;;;;;/p-6/r2CH2O3.2H2O.3H2Pb/c2*2-1(3)4;;;;;/h2*(H2,2,3,4);5*1H2/q;;;;3*+4/p-6


cas: 13190-97-1
chebiid: CHEBI:26718
dtxsid: DTXSID60884580
formula: C45H74O
inchikey: AFPLNGZPBSKHHQ-MEGGAXOGSA-N
norman_susdat_id: NS00073894
smiles: CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCO
name:
2,6,10,14,18,22,26,30,34-Hexatriacontanonaen-1-ol, 3,7,11,15,19,23,27,31,35-nonamethyl-, (2E,6E,10E,14E,18E,22E,26E,30E)-

inchi:
InChI=1S/C45H74O/c1-37(2)19-11-20-38(3)21-12-22-39(4)23-13-24-40(5)25-14-26-41(6)27-15-28-42(7)29-16-30-43(8)31-17-32-44(9)33-18-34-45(10)35-36-46/h19,21,23,25,27,29,31,33,35,46H,11-18,20,22,24,26,28,30,32,34,36H2,1-10H3/b38-21+,39-23+,40-25+,41-27+,42-29+,43-31+,44-33+,45-35+


name: Aurofusarin
cas: 13191-64-5
chemspiderid: 89970
dtxsid: DTXSID50157250
formula: C30H18O12
inchikey: VSWWTKVILIZDGX-UHFFFAOYSA-N
norman_susdat_id: NS00094926
pubchem_cid: 99586
smiles: CC1=CC(=O)C2=C(O1)C=C3C(=C2O)C(=O)C(=C(C3=O)OC)C4=C(C(=O)C5=CC6=C(C(=O)C=C(O6)C)C(=C5C4=O)O)OC
inchi:
InChI=1S/C30H18O12/c1-9-5-13(31)19-15(41-9)7-11-17(25(19)35)27(37)21(29(39-3)23(11)33)22-28(38)18-12(24(34)30(22)40-4)8-16-20(26(18)36)14(32)6-10(2)42-16/h5-8,35-36H,1-4H3


name: Paricalcitol
cas: 131918-61-1
chemspiderid: 4444552
dtxsid: DTXSID4048640
formula: C27H44O3
inchikey: BPKAHTKRCLCHEA-PHQQETDXSA-N
norman_susdat_id: NS00014352
pubchem_cid: NA
smiles: C[C@H](C=C[C@H](C)C(C)(C)O)[C@H]1CC[C@H]2C(CCC[C@]12C)=CC=C3/C[C@@H](O)C[C@H](O)C3
inchi:
InChI=1S/C27H44O3/c1-18(8-9-19(2)26(3,4)30)24-12-13-25-21(7-6-14-27(24,25)5)11-10-20-15-22(28)17-23(29)16-20/h8-11,18-19,22-25,28-30H,6-7,12-17H2,1-5H3/b9-8+,21-11+/t18-,19+,22-,23-,24-,25+,27-/m1/s1


name: DISODIUM LAURYL SUL- FOSUCCINATE
cas: 13192-12-6
chemspiderid: 145916
formula: C16H30O7S1
inchikey: YNFYEVOHGOCXPX-UHFFFAOYSA-N
norman_susdat_id: NS00013624
pubchem_cid: 166784
smiles: [Na+].[Na+].CCCCCCCCC(CCC)OC(=O)C(CC([O-])=O)[S]([O-])(=O)=O
inchi:
InChI=1S/C16H30O7S.2Na/c1-3-5-6-7-8-9-11-13(10-4-2)23-16(19)14(12-15(17)18)24(20,21)22;;/h13-14H,3-12H2,1-2H3,(H,17,18)(H,20,21,22);;/q;2*+1/p-2


name: Disodium 4-tetradecyl 2-sulphonatosuccinate
cas: 13192-13-7
dtxsid: DTXSID50927394
formula: C18H34O7S
inchikey: GYECOSHSEIRZLG-UHFFFAOYSA-L
norman_susdat_id: NS00051665
pubchem_cid: 11970369
smiles: [Na+].[Na+].O=C(OCCCCCCCCCCCCCC)CC(C(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C18H34O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-25-17(19)15-16(18(20)21)26(22,23)24;;/h16H,2-15H2,1H3,(H,20,21)(H,22,23,24);;/q;2*+1/p-2


name: Zinc bis(O,O-di-sec-butyl) bis(dithiophosphate)
cas: 13192-40-0
formula: C8H19O2PS2.1/2Zn
inchikey: YCZRDSHWVTZTBC-UHFFFAOYSA-L
norman_susdat_id: NS00085327
smiles: CCC(C)OP(=S)(OC(C)CC)S[Zn]SP(=S)(OC(C)CC)OC(C)CC
inchi:
InChI=1/2C8H19O2PS2.Zn/c2*1-5-7(3)9-11(12,13)10-8(4)6-2;/h2*7-8H,5-6H2,1-4H3,(H,12,13);/q;;+2/p-2/rC16H36O4P2S4Zn/c1-9-13(5)17-21(23,18-14(6)10-2)25-27-26-22(24,19-15(7)11-3)20-16(8)12-4/h13-16H,9-12H2,1-8H3


name: Spinosyn A
cas: 131929-60-7
chebiid: CHEBI:9230
chemspiderid: 391358
dtxsid: DTXSID8037598
formula: C41H65N1O10
inchikey: SRJQTHAZUNRMPR-UYQKXTDMSA-N
norman_susdat_id: NS00004555
pubchem_cid: 443059
inchi:
InChI=1S/C41H65NO10/c1-10-26-12-11-13-34(52-36-17-16-33(42(5)6)23(3)48-36)22(2)37(44)32-20-30-28(31(32)21-35(43)50-26)15-14-25-18-27(19-29(25)30)51-41-40(47-9)39(46-8)38(45-7)24(4)49-41/h14-15,20,22-31,33-34,36,38-41H,10-13,16-19,21H2,1-9H3/t22-,23-,24+,25-,26+,27-,28-,29-,30-,31+,33+,34+,36+,38+,39-,40-,41+/m1/s1

smiles:
CC[C@H]1CCC[C@H](O[C@H]2CC[C@@H]([C@@H](C)O2)N(C)C)[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1OC


name: Spinosyn B
cas: 131929-61-8
chebiid: CHEBI:9231
chemspiderid: 21864758
dtxsid: DTXSID50904802
formula: C40H63N1O10
inchikey: VESRDXZDAAOUHS-KXRJSVEISA-N
norman_susdat_id: NS00007023
pubchem_cid: 443060
inchi:
InChI=1S/C40H63NO10/c1-9-25-11-10-12-33(51-35-16-15-32(41-5)22(3)47-35)21(2)36(43)31-19-29-27(30(31)20-34(42)49-25)14-13-24-17-26(18-28(24)29)50-40-39(46-8)38(45-7)37(44-6)23(4)48-40/h13-14,19,21-30,32-33,35,37-41H,9-12,15-18,20H2,1-8H3/t21-,22-,23+,24-,25+,26-,27-,28-,29-,30+,32+,33+,35+,37+,38-,39-,40+/m1/s1

smiles:
CC[C@H]1CCC[C@H](O[C@H]2CC[C@H](NC)[C@@H](C)O2)[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C=C[C@H]3[C@@H]2CC(=O)O1)O[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1OC


name: Spinosyn D
cas: 131929-63-0
chebiid: CHEBI:9232
chemspiderid: 159214
dtxsid: DTXSID3037599
formula: C42H67N1O10
inchikey: RDECBWLKMPEKPM-PSCJHHPTSA-N
norman_susdat_id: NS00003367
pubchem_cid: 183094
inchi:
InChI=1S/C42H67NO10/c1-11-26-13-12-14-35(53-37-16-15-34(43(6)7)24(4)49-37)23(3)38(45)33-20-31-29(32(33)21-36(44)51-26)17-22(2)28-18-27(19-30(28)31)52-42-41(48-10)40(47-9)39(46-8)25(5)50-42/h17,20,23-32,34-35,37,39-42H,11-16,18-19,21H2,1-10H3/t23-,24-,25+,26+,27-,28+,29-,30-,31-,32+,34+,35+,37+,39+,40-,41-,42+/m1/s1

smiles:
CC[C@H]1CCC[C@H](O[C@H]2CC[C@@H]([C@@H](C)O2)N(C)C)[C@@H](C)C(=O)C2=C[C@H]3[C@@H]4C[C@@H](C[C@H]4C(C)=C[C@H]3[C@@H]2CC(=O)O1)O[C@@H]1O[C@@H](C)[C@H](OC)[C@@H](OC)[C@H]1OC


name: Disodium 4-hexadecyl 2-sulphonatosuccinate
cas: 13197-74-5
dtxsid: DTXSID40927484
formula: C20H38O7S
inchikey: IBMVOXQFHDYLER-UHFFFAOYSA-L
norman_susdat_id: NS00052864
pubchem_cid: 11970371
smiles: [Na+].[Na+].O=C(OCCCCCCCCCCCCCCCC)CC(C(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C20H38O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-27-19(21)17-18(20(22)23)28(24,25)26;;/h18H,2-17H2,1H3,(H,22,23)(H,24,25,26);;/q;2*+1/p-2


name: Lauryl hydroxysultaine
cas: 13197-76-7
chemspiderid: 102532
dtxsid: DTXSID2050035
formula: C17H38N1O4S1
inchikey: DDGPBVIAYDDWDH-UHFFFAOYSA-O
norman_susdat_id: NS00013831
pubchem_cid: 101977025
smiles: CCCCCCCCCCCC[N+](C)(C)CC(O)C[S]([O-])(=O)=O
inchi:
InChI=1S/C17H37NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-18(2,3)15-17(19)16-23(20,21)22/h17,19H,4-16H2,1-3H3


name: Triticonazole
cas: 131983-72-7
chemspiderid: 4941086
dtxsid: DTXSID0032655
formula: C17H20Cl1N3O1
inchikey: PPDBOQMNKNNODG-ZROIWOOFSA-N
norman_susdat_id: NS00010104
pubchem_cid: 6436449
smiles: CC1(C)CCC(=Cc2ccc(Cl)cc2)C1(O)Cn1cncn1
inchi:
InChI=1S/C17H20ClN3O/c1-16(2)8-7-14(9-13-3-5-15(18)6-4-13)17(16,22)10-21-12-19-11-20-21/h3-6,9,11-12,22H,7-8,10H2,1-2H3/b14-9-


name: Inosine triphosphate
cas: 132-06-9
chebiid: CHEBI:16039
chemspiderid: 8265
dtxsid: DTXSID8074499
formula: C10H15N4O14P3
inchikey: HAEJPQIATWHALX-KQYNXXCUSA-N
norman_susdat_id: NS00015102
pubchem_cid: 8583
smiles: C1=NC(=O)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
inchi:
InChI=1S/C10H15N4O14P3/c15-6-4(1-25-30(21,22)28-31(23,24)27-29(18,19)20)26-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,23,24)(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1


name: Endo-3-(diphenylmethoxy)-8-methyl-8-azoniabicyclo[3.2.1]octane methanesulphonate
cas: 132-17-2
chebiid: CHEBI:3049
formula: C21H25NO.CH4O3S
inchikey: CPFJLLXFNPCTDW-BWSPSPBFSA-N
norman_susdat_id: NS00079319
smiles: C[NH+]1[C@@H]2CC[C@H]1C[C@H](C2)OC(c3ccccc3)c4ccccc4.CS(=O)(=O)[O-]
inchi:
InChI=1/C21H25NO.CH4O3S/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-5(2,3)4/h2-11,18-21H,12-15H2,1H3;1H3,(H,2,3,4)


name: Diphenylpyraline hydrochloride
cas: 132-18-3
chebiid: CHEBI:31508
formula: C19H23NO.ClH
inchikey: LPRLDRXGWKXRMQ-UHFFFAOYSA-N
norman_susdat_id: NS00079320
smiles: Cl.CN1CCC(CC1)OC(c2ccccc2)c3ccccc3
inchi:
InChI=1/C19H23NO.ClH/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;/h2-11,18-19H,12-15H2,1H3;1H


name: Pheniramine hydrogen maleate
cas: 132-20-7
formula: C16H20N2.C4H4O4
inchikey: SSOXZAQUVINQSA-UHFFFAOYSA-N
norman_susdat_id: NS00079327
smiles: OC(=O)C=CC(O)=O.CN(C)CCC(c1ccccn1)c2ccccc2
inchi:
InChI=1/C16H20N2.C4H4O4/c1-18(2)13-11-15(14-8-4-3-5-9-14)16-10-6-7-12-17-16;5-3(6)1-2-4(7)8/h3-10,12,15H,11,13H2,1-2H3;1-2H,(H,5,6)(H,7,8)


name: Chlorpheniramine
cas: 132-22-9
chebiid: CHEBI:4464
chemspiderid: 30576
dtxsid: DTXSID50180225
formula: C16H19ClN2
inchikey: SOYKEARSMXGVTM-HNNXBMFYSA-N
norman_susdat_id: NS00098761
pubchem_cid: 33036
smiles: CN(C)CC[C@@H](c1ccc(cc1)Cl)c2ccccn2
inchi:
InChI=1S/C16H19ClN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3/t15-/m0/s1


name: 1(4H)-Naphthalenone, 4-[[4-(dimethylamino)phenyl]imino]-
cas: 132-31-0
chemspiderid: 60570
dtxsid: DTXSID4059623
formula: C18H16N2O1
inchikey: VRZJGENLTNRAIG-UHFFFAOYSA-N
norman_susdat_id: NS00020986
pubchem_cid: 67235
smiles: CN(C)c1ccc(cc1)N=C1C=CC(=O)c2c1cccc2
inchi:
InChI=1S/C18H16N2O/c1-20(2)14-9-7-13(8-10-14)19-17-11-12-18(21)16-6-4-3-5-15(16)17/h3-12H,1-2H3/b19-17+


name: 4-[(2-arsonophenyl)azo]-3-hydroxynaphthalene-2,7-disulphonic acid
cas: 132-33-2
formula: C16H13AsN2O10S2
inchikey: XQVKLMRIZCRVPO-UHFFFAOYSA-N
norman_susdat_id: NS00079328
smiles: O[As](O)(=O)c3ccccc3N=Nc1c2ccc(cc2cc(c1O)S(O)(=O)=O)S(O)(=O)=O
inchi:
InChI=1/C16H13AsN2O10S2/c20-16-14(31(27,28)29)8-9-7-10(30(24,25)26)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21,22)23/h1-8,20H,(H2,21,22,23)(H,24,25,26)(H,27,28,29)


name: 5-[2-(diethylammonio)ethyl]-3-(1-phenylpropyl)-1,2,4-oxadiazolediylium citrate
cas: 132-35-4
dtxsid: DTXSID5048760
formula: C17H29N3O
inchikey: WIWPWZCIXORYAP-UHFFFAOYSA-N
norman_susdat_id: NS00041384
pubchem_cid: NA
smiles: O=C([O-])CC(O)(C(=O)[O-])CC(=O)[O-].O1[NH2+]C([NH2+]C1CC[NH+](CC)CC)C(C=2C=CC=CC2)CC
inchi:
InChI=1/C17H29N3O.C6H8O7/c1-4-15(14-10-8-7-9-11-14)17-18-16(21-19-17)12-13-20(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,15-19H,4-6,12-13H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)


name: 3,5-bis(ß-D-glucopyranosyloxy)-7-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride
cas: 132-37-6
dtxsid: DTXSID70927492
formula: C28H33O16
inchikey: CKUIPFCNKLNKTF-CYUNEVMDSA-M
norman_susdat_id: NS00042000
pubchem_cid: 12313913
smiles: [Cl-].OC=1C=C(OC2OC(CO)C(O)C(O)C2O)C=3C=C(OC4OC(CO)C(O)C(O)C4O)C(=[O+]C3C1)C=5C=CC(O)=C(OC)C5
inchi:
InChI=1/C28H32O16.ClH/c1-39-16-4-10(2-3-13(16)32)26-17(42-28-25(38)23(36)21(34)19(9-30)44-28)7-12-14(40-26)5-11(31)6-15(12)41-27-24(37)22(35)20(33)18(8-29)43-27;/h2-7,18-25,27-30,33-38H,8-9H2,1H3,(H-,31,32);1H


name: Sodium2-[cyclohexyl(1-oxohexadecyl)amino]ethanesulphonate
cas: 132-43-4
formula: C24H47NO4S.Na
inchikey: VOXBATAAGDVURT-UHFFFAOYSA-M
norman_susdat_id: NS00079571
smiles: CCCCCCCCCCCCCCCC(=O)N(CCS(=O)(=O)O[Na])C1CCCCC1
inchi:
InChI=1/C24H47NO4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(26)25(21-22-30(27,28)29)23-18-15-14-16-19-23;/h23H,2-22H2,1H3,(H,27,28,29);/q;+1/p-1/rC24H46NNaO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(27)25(21-22-31(28,29)30-26)23-18-15-14-16-19-23/h23H,2-22H2,1H3


name: 9H-Carbazole-3-carboxamide, N-(4-chlorophenyl)-2-hydroxy-
cas: 132-61-6
chemspiderid: 60573
dtxsid: DTXSID4059627
formula: C19H13Cl1N2O2
inchikey: PPLNRTPNYCWODC-UHFFFAOYSA-N
norman_susdat_id: NS00024226
pubchem_cid: 67238
smiles: Oc1c(cc2c([nH]c3c2cccc3)c1)C(=O)Nc1ccc(Cl)cc1
inchi:
InChI=1S/C19H13ClN2O2/c20-11-5-7-12(8-6-11)21-19(24)15-9-14-13-3-1-2-4-16(13)22-17(14)10-18(15)23/h1-10,22-23H,(H,21,24)


name: 3-Dibenzofurancarboxamide, N-(2,5-dimethoxyphenyl)-2-hydroxy-
cas: 132-62-7
chemspiderid: 60574
dtxsid: DTXSID9059628
formula: C21H17N1O5
inchikey: IWWAOEHIGYWDRA-UHFFFAOYSA-N
norman_susdat_id: NS00020995
pubchem_cid: 67239
smiles: COc1cc(NC(=O)c2cc3c(cc2O)c2c(o3)cccc2)c(OC)cc1
inchi:
InChI=1S/C21H17NO5/c1-25-12-7-8-19(26-2)16(9-12)22-21(24)15-11-20-14(10-17(15)23)13-5-3-4-6-18(13)27-20/h3-11,23H,1-2H3,(H,22,24)


name: Naptalam
cas: 132-66-1
chebiid: CHEBI:60833
chemspiderid: 8275
dtxsid: DTXSID6032437
formula: C18H13N1O3
inchikey: JXTHEWSKYLZVJC-UHFFFAOYSA-N
norman_susdat_id: NS00000513
pubchem_cid: 8594
smiles: O=C(O)c1ccccc1C(=O)Nc3cccc2ccccc23
inchi:
InChI=1S/C18H13NO3/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16/h1-11H,(H,19,20)(H,21,22)


name: Naptalam-sodium
cas: 132-67-2
formula: C18H13NO3.Na
inchikey: CLHHSSXFXYAXDB-UHFFFAOYSA-M
norman_susdat_id: NS00079324
smiles: [Na+].[O-]C(=O)c1ccccc1C(=O)Nc2cccc3ccccc23
inchi:
InChI=1/C18H13NO3.Na/c20-17(14-9-3-4-10-15(14)18(21)22)19-16-11-5-7-12-6-1-2-8-13(12)16;/h1-11H,(H,19,20)(H,21,22);/q;+1/p-1


name: 3-Hydroxy-N-1-naphthyl-2-naphthamide
cas: 132-68-3
chemspiderid: 60576
dtxsid: DTXSID8051671
formula: C21H15N1O2
inchikey: QGZGJNPVHADCFM-UHFFFAOYSA-N
norman_susdat_id: NS00020996
pubchem_cid: 67241
smiles: Oc1cc2ccccc2cc1C(=O)Nc1cccc2c1cccc2
inchi:
InChI=1S/C21H15NO2/c23-20-13-16-8-2-1-7-15(16)12-18(20)21(24)22-19-11-5-9-14-6-3-4-10-17(14)19/h1-13,23H,(H,22,24)


name: 3-[[1-benzyl-1H-indazol-3-yl]oxy]-N,N-dimethylpropylamine monohydrochloride
cas: 132-69-4
chebiid: CHEBI:31266
formula: C19H23N3O.ClH
inchikey: HNNIWKQLJSNAEQ-UHFFFAOYSA-N
norman_susdat_id: NS00079329
smiles: Cl.CN(C)CCCOc1nn(Cc2ccccc2)c3ccccc13
inchi:
InChI=1/C19H23N3O.ClH/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16;/h3-7,9-12H,8,13-15H2,1-2H3;1H


name: Chloroquine sulphate
cas: 132-73-0
chebiid: CHEBI:50178
formula: C18H26ClN3.H2O4S
inchikey: OJPWHUOVKVKBQB-UHFFFAOYSA-N
norman_susdat_id: NS00079325
smiles: CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.OS(=O)(=O)O
inchi:
InChI=1/C18H26ClN3.H2O4S/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;1-5(2,3)4/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);(H2,1,2,3,4)


name: 7-(Benzoylamino)-4-hydroxy-2-naphthalenesulfonic acid
cas: 132-87-6
chemspiderid: 60577
dtxsid: DTXSID3059632
formula: C17H13N1O5S1
inchikey: ZLHGMJOGMLVDFS-UHFFFAOYSA-N
norman_susdat_id: NS00020574
pubchem_cid: 67242
smiles: Oc1c2ccc(NC(=O)c3ccccc3)cc2cc(c1)S(=O)(=O)O
inchi:
InChI=1S/C17H13NO5S/c19-16-10-14(24(21,22)23)9-12-8-13(6-7-15(12)16)18-17(20)11-4-2-1-3-5-11/h1-10,19H,(H,18,20)(H,21,22,23)


name: 4-Hydroxy-7-[(4-nitrobenzoyl)amino]-2-naphthalenesulfonic acid
cas: 132-88-7
chemspiderid: 60578
dtxsid: DTXSID8059633
formula: C17H12N2O7S1
inchikey: YKEZWGMBLVPRBW-UHFFFAOYSA-N
norman_susdat_id: NS00024246
pubchem_cid: 67243
smiles: Oc1cc(cc2c1ccc(NC(=O)c1ccc(cc1)[N+](=O)[O-])c2)S(=O)(=O)O
inchi:
InChI=1S/C17H12N2O7S/c20-16-9-14(27(24,25)26)8-11-7-12(3-6-15(11)16)18-17(21)10-1-4-13(5-2-10)19(22)23/h1-9,20H,(H,18,21)(H,24,25,26)


name: Meticillin sodium
cas: 132-92-3
chebiid: CHEBI:52065
formula: C17H20N2O6S.Na
inchikey: MGFZNWDWOKASQZ-UMLIZJHQSA-M
norman_susdat_id: NS00079573
smiles: [Na+].COc1cccc(OC)c1C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)[O-]
inchi:
InChI=1/C17H20N2O6S.Na/c1-17(2)12(16(22)23)19-14(21)11(15(19)26-17)18-13(20)10-8(24-3)6-5-7-9(10)25-4;/h5-7,11-12,15H,1-4H3,(H,18,20)(H,22,23);/q;+1/p-1


name: Pheneticillin potassium
cas: 132-93-4
chebiid: CHEBI:31987
formula: C17H20N2O5S.K
inchikey: ORMNNUPLFAPCFD-DVLYDCSHSA-M
norman_susdat_id: NS00079156
smiles: [K+].CC(Oc1ccccc1)C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(=O)[O-]
inchi:
InChI=1/C17H20N2O5S.K/c1-9(24-10-7-5-4-6-8-10)13(20)18-11-14(21)19-12(16(22)23)17(2,3)25-15(11)19;/h4-9,11-12,15H,1-3H3,(H,18,20)(H,22,23);/q;+1/p-1


name: Phenoxymethylpenicillin potassium
cas: 132-98-9
formula: C16H18N2O5S.K
inchikey: HCTVWSOKIJULET-LQDWTQKMSA-N
norman_susdat_id: NS00079157
smiles: [K+].C[C@@]3(C)S[C@H]2N(C(=O)[C@H]2NC(=O)COc1ccccc1)[C@H]3C(O)=O
inchi:
InChI=1/C16H18N2O5S.K/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9;/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22);/q;+1


name: 1-[[4-[(dimethylphenyl)azo]dimethylphenyl]azo]-2-naphthol
cas: 1320-06-5
dtxsid: DTXSID90889366
formula: C26H24N4O
inchikey: KBQLHHZOZSGQGO-UHFFFAOYSA-N
norman_susdat_id: NS00045265
pubchem_cid: 3033868
smiles: OC=1C=CC=2C=CC=CC2C1N=NC3=CC=C(N=NC4=CC=CC(=C4C)C)C(=C3C)C
inchi:
InChI=1/C26H24N4O/c1-16-8-7-11-22(17(16)2)27-28-23-13-14-24(19(4)18(23)3)29-30-26-21-10-6-5-9-20(21)12-15-25(26)31/h5-15,31H,1-4H3


name: C.I. Acid Orange 24, monosodium salt
cas: 1320-07-6
chemspiderid: 5289247
dtxsid: DTXSID7041708
formula: C20H18N4O5S1
inchikey: GQMZKIPSOYKZFR-VJDDLIIDSA-N
norman_susdat_id: NS00013341
pubchem_cid: 6913008
smiles: [Na+].Cc1ccc(NN=C2C(=O)C=CC(=N/Nc3ccc(cc3)[S]([O-])(=O)=O)/C2=O)c(C)c1
inchi:
InChI=1S/C20H18N4O5S.Na/c1-12-3-8-16(13(2)11-12)22-24-19-18(25)10-9-17(20(19)26)23-21-14-4-6-15(7-5-14)30(27,28)29;/h3-11,21-22H,1-2H3,(H,27,28,29);/q;+1/p-1/b23-17-,24-19+;


name: Isooctyl 4-(2,4-dichlorophenoxy)butyrate
cas: 1320-15-6
dtxsid: DTXSID3047427
formula: C18H26Cl2O3
inchikey: RKZULGKMTDEQNJ-UHFFFAOYSA-N
norman_susdat_id: NS00045300
pubchem_cid: 560105
smiles: O=C(OCCCCCC(C)C)CCCOC1=CC=C(Cl)C=C1Cl
inchi:
InChI=1/C18H26Cl2O3/c1-14(2)7-4-3-5-11-23-18(21)8-6-12-22-17-10-9-15(19)13-16(17)20/h9-10,13-14H,3-8,11-12H2,1-2H3


name: Chloro(hydroxyphenyl)mercury
cas: 1320-80-5
formula: C6H5ClHgO
inchikey: GABVDWALKPAUEQ-UHFFFAOYSA-M
norman_susdat_id: NS00081440
smiles: Oc1ccccc1[Hg]Cl
inchi:
InChI=1/C6H5O.ClH.Hg/c7-6-4-2-1-3-5-6;;/h1-4,7H;1H;/q;;+1/p-1/rC6H5ClHgO/c7-8-5-3-1-2-4-6(5)9/h1-4,9H


name: 23,24-Dihydrocucurbitacin B
cas: 13201-14-4
chebiid: CHEBI:62217
chemspiderid: 267250
formula: C32H48O8
inchikey: QZJJDOYZVRUEDY-NRNCYQGDSA-N
norman_susdat_id: NS00094065
pubchem_cid: 234905
smiles:
CC(=O)OC(C)(C)CCC(=O)[C@@](C)([C@H]1[C@@H](C[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C[C@@H](C(=O)C4(C)C)O)C)C)C)O)O


cas: 1320346-97-1
formula: C29H37N7O5S
inchikey: CXHCNOMGODVIKB-VWLOTQADSA-N
norman_susdat_id: NS00073356
pubchem_cid: 53340771
smiles: COc1ccc(S(=O)(=O)N[C@@H](CNc2nc(C)nc(N3CCC(c4ccc5c(n4)NCCC5)CC3)c2C)C(=O)O)cc1
name:
3-({2,5-dimethyl-6-[4-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)piperidin-1-yl]pyrimidin-4-yl}amino)-2-(4-methoxybenzenesulfonamido)propanoic acid

inchi:
InChI=1S/C29H37N7O5S/c1-18-26(31-17-25(29(37)38)35-42(39,40)23-9-7-22(41-3)8-10-23)32-19(2)33-28(18)36-15-12-20(13-16-36)24-11-6-21-5-4-14-30-27(21)34-24/h6-11,20,25,35H,4-5,12-17H2,1-3H3,(H,30,34)(H,37,38)(H,31,32,33)/t25-/m0/s1


name: Ramosetron
cas: 132036-39-6
chebiid: CHEBI:135156
dtxsid: DTXSID0043842
formula: C17H17N3O
inchikey: NTHPAPBPFQJABD-LLVKDONJSA-N
norman_susdat_id: NS00069945
pubchem_cid: 108000
smiles: Cn1cc(C(=O)[C@@H]2CCc3nc[nH]c3C2)c2ccccc21
inchi:
InChI=1S/C17H17N3O/c1-20-9-13(12-4-2-3-5-16(12)20)17(21)11-6-7-14-15(8-11)19-10-18-14/h2-5,9-11H,6-8H2,1H3,(H,18,19)/t11-/m1/s1


name: (+/-)-JWH 018 N-(4-hydroxypentyl) metabolite
cas: 1320363-47-0
chemspiderid: 29341417
formula: C24H23N1O2
inchikey: LLFBQQHYZJTRAS-UHFFFAOYSA-N
norman_susdat_id: NS00017229
pubchem_cid: 76974819
smiles: CC(CCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43)O
inchi:
InChI=1S/C24H23NO2/c1-17(26)8-7-15-25-16-22(20-12-4-5-14-23(20)25)24(27)21-13-6-10-18-9-2-3-11-19(18)21/h2-6,9-14,16-17,26H,7-8,15H2,1H3


name: [1-(3-hydroxybutyl)-1H-indol-3-yl](naphthalen-1-yl)methanone
cas: 1320363-48-1
chemspiderid: 29341402
dtxsid: DTXSID801016929
formula: C23H21N1O2
inchikey: YPRJGJFJMZOUSH-UHFFFAOYSA-N
norman_susdat_id: NS00017231
pubchem_cid: 76974820
smiles: CC(CCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43)O
inchi:
InChI=1S/C23H21NO2/c1-16(25)13-14-24-15-21(19-10-4-5-12-22(19)24)23(26)20-11-6-8-17-7-2-3-9-18(17)20/h2-12,15-16,25H,13-14H2,1H3


name: 17,21-dihydroxy-16a-methylpregna-1,4,9(11)-triene-3,20-dione
cas: 13209-41-1
dtxsid: DTXSID60927527
formula: C22H28O4
inchikey: ZYTXTXAMMDTYDQ-DGEXFFLYSA-N
norman_susdat_id: NS00052094
pubchem_cid: 3035000
smiles: O=C1C=CC2(C(=C1)CCC3C2=CCC4(C)C3CC(C)C4(O)C(=O)CO)C
inchi:
InChI=1/C22H28O4/c1-13-10-18-16-5-4-14-11-15(24)6-8-20(14,2)17(16)7-9-21(18,3)22(13,26)19(25)12-23/h6-8,11,13,16,18,23,26H,4-5,9-10,12H2,1-3H3


name: (11beta,16alpha)-11,17-Dihydroxy-16-methyl-3,20-dioxopregna-1,4-dien-21-yl acetate
cas: 13209-52-4
dtxsid: DTXSID70628391
formula: C24H32O6
inchikey: QKTYVMYSLMOANV-GSTOSZRSSA-N
norman_susdat_id: NS00076401
smiles: C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(C)=O
inchi:
InChI=1S/C24H32O6/c1-13-9-18-17-6-5-15-10-16(26)7-8-22(15,3)21(17)19(27)11-23(18,4)24(13,29)20(28)12-30-14(2)25/h7-8,10,13,17-19,21,27,29H,5-6,9,11-12H2,1-4H3/t13-,17+,18+,19+,21-,22+,23+,24+/m1/s1


name: Ethyl 3-[(2-ethoxy-2-oxoethyl)amino]-4,4,5,5,6,6,7,7,7-nonafluoroheptanoate
cas: 132114-64-8
dtxsid: DTXSID00896081
formula: C13H16F9NO4
inchikey: XMLQJCWVPGBECK-UHFFFAOYSA-N
norman_susdat_id: NS00109023
smiles: CCOC(=O)CNC(CC(=O)OCC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C13H16F9NO4/c1-3-26-8(24)5-7(23-6-9(25)27-4-2)10(14,15)11(16,17)12(18,19)13(20,21)22/h7,23H,3-6H2,1-2H3


name: 3,4,5-Trifluorophenyl 4'-propyl[1,1'-bi(cyclohexane)]-4-carboxylate
cas: 132123-45-6
chemspiderid: 9903390
dtxsid: DTXSID50471226
formula: C22H29F3O2
inchikey: SDAWLPKKYZMFEM-UHFFFAOYSA-N
norman_susdat_id: NS00024189
pubchem_cid: 11728674
smiles: CCCC1CCC(CC1)C1CCC(CC1)C(=O)OC1=CC(F)=C(F)C(F)=C1
inchi:
InChI=1S/C22H29F3O2/c1-2-3-14-4-6-15(7-5-14)16-8-10-17(11-9-16)22(26)27-18-12-19(23)21(25)20(24)13-18/h12-17H,2-11H2,1H3/t14-,15-,16-,17+


name: 3-amino-6-chloro-pyridine-2-carboxylic acid
cas: 132173-07-0
dtxsid: DTXSID00869811
formula: C23H34ClN
inchikey: MYKJVLTXPNIGOV-KTKRTIGZSA-N
norman_susdat_id: NS00068638
pubchem_cid: 6913112
smiles: CCN(C/C=Cc1ccc(C2CCCCC2)c(Cl)c1)C1CCCCC1
inchi:
InChI=1S/C23H34ClN/c1-2-25(21-13-7-4-8-14-21)17-9-10-19-15-16-22(23(24)18-19)20-11-5-3-6-12-20/h9-10,15-16,18,20-21H,2-8,11-14,17H2,1H3/b10-9-


name: Lantadene D
cas: 132194-33-3
chemspiderid: 15143722
formula: C34H52O5
inchikey: JJOWBVSGDGLUKQ-SBFMVFAKSA-N
norman_susdat_id: NS00093802
pubchem_cid: 23329025
smiles:
CC(C)C(=O)O[C@@H]1CC(C[C@@H]2[C@]1(CC[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CCC(=O)C5(C)C)C)C)C)C(=O)O)(C)C


name: Nonylphenyl hydrogen sulphate
cas: 1322-83-4
dtxsid: DTXSID20157429
formula: C15H24O4S
inchikey: ORJDWQVKIMZEMX-UHFFFAOYSA-N
norman_susdat_id: NS00045366
pubchem_cid: 3025046
smiles: O=S(=O)(O)OC=1C=CC=CC1CCCCCCCCC
inchi:
InChI=1/C15H24O4S/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)19-20(16,17)18/h9-10,12-13H,2-8,11H2,1H3,(H,16,17,18)


name: Sodium diisopropylnaphthalenesulphonate
cas: 1322-93-6
dtxsid: DTXSID5042401
formula: C16H20O3S
inchikey: RUQIYMSRQQCKIK-UHFFFAOYSA-M
norman_susdat_id: NS00045367
pubchem_cid: 162217
smiles: [Na+].O=S(=O)([O-])C=1C=2C=CC=CC2C=C(C1C(C)C)C(C)C
inchi:
InChI=1/C16H20O3S.Na/c1-10(2)14-9-12-7-5-6-8-13(12)16(20(17,18)19)15(14)11(3)4;/h5-11H,1-4H3,(H,17,18,19);/q;+1/p-1


name: (dimethylcyclohexyl) hydrogen phthalate
cas: 1322-94-7
dtxsid: DTXSID20862627
formula: C16H20O4
inchikey: IBQUTAWFRDBINE-UHFFFAOYSA-N
norman_susdat_id: NS00045310
pubchem_cid: 21617108
smiles: O=C(O)C=1C=CC=CC1C(=O)OC2(C)CCCCC2C
inchi:
InChI=1/C16H20O4/c1-11-7-5-6-10-16(11,2)20-15(19)13-9-4-3-8-12(13)14(17)18/h3-4,8-9,11H,5-7,10H2,1-2H3,(H,17,18)


name: Ethanol, 2-(octylphenoxy)- = Octylphenolethoxylate
cas: 1322-97-0
chemspiderid: 11331948
formula: C16H26O2
inchikey: GLDUZMNCEGHSBP-UHFFFAOYSA-N
norman_susdat_id: NS00002665
pubchem_cid: 18327116
smiles: CCCCCCCCc1ccccc1OCCO
inchi:
InChI=1S/C16H26O2/c1-2-3-4-5-6-7-10-15-11-8-9-12-16(15)18-14-13-17/h8-9,11-12,17H,2-7,10,13-14H2,1H3


name: Sodium decylbenzenesulphonate
cas: 1322-98-1
dtxsid: DTXSID4029642
formula: C16H26O3S
inchikey: AJVIQNYVMGYYOL-UHFFFAOYSA-M
norman_susdat_id: NS00045816
pubchem_cid: 169254
smiles: [Na+].O=S(=O)([O-])C=1C=CC=CC1CCCCCCCCCC
inchi:
InChI=1/C16H26O3S.Na/c1-2-3-4-5-6-7-8-9-12-15-13-10-11-14-16(15)20(17,18)19;/h10-11,13-14H,2-9,12H2,1H3,(H,17,18,19);/q;+1/p-1


name: Cilnidipine
cas: 132203-70-4
formula: C27H28N2O7
inchikey: KJEBULYHNRNJTE-HGJFNOKFSA-N
norman_susdat_id: NS00071604
pubchem_cid: 28248392
smiles: COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C/c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1
inchi:
InChI=1S/C27H28N2O7/c1-18-23(26(30)35-14-8-11-20-9-5-4-6-10-20)25(21-12-7-13-22(17-21)29(32)33)24(19(2)28-18)27(31)36-16-15-34-3/h4-13,17,25,28H,14-16H2,1-3H3/b11-8+/t25-/m0/s1


name: Tribuzone
cas: 13221-27-7
chebiid: CHEBI:135536
chemspiderid: 59046
dtxsid: DTXSID70157434
formula: C22H24N2O3
inchikey: OFVFGKQCUDMLLP-UHFFFAOYSA-N
norman_susdat_id: NS00024198
pubchem_cid: 65605
smiles: CC(C)(C)C(=O)CCC1C(=O)N(N(C1=O)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C22H24N2O3/c1-22(2,3)19(25)15-14-18-20(26)23(16-10-6-4-7-11-16)24(21(18)27)17-12-8-5-9-13-17/h4-13,18H,14-15H2,1-3H3


name: Cipamfylline
cas: 132210-43-6
chemspiderid: 64456
dtxsid: DTXSID50157437
formula: C13H17N5O2
inchikey: KSPYMJJKQMWWNB-UHFFFAOYSA-N
norman_susdat_id: NS00024197
pubchem_cid: 71356
smiles: Nc1nc2c([nH]1)n(CC1CC1)c(=O)n(CC1CC1)c2=O
inchi:
InChI=1S/C13H17N5O2/c14-12-15-9-10(16-12)17(5-7-1-2-7)13(20)18(11(9)19)6-8-3-4-8/h7-8H,1-6H2,(H3,14,15,16)


name: N,N'-hexane-1,6-diylbis[2-ethylhexanamide]
cas: 13222-16-7
dtxsid: DTXSID90927590
formula: C22H44N2O2
inchikey: XZVMGPSLFYINSC-UHFFFAOYSA-N
norman_susdat_id: NS00051803
pubchem_cid: 114477
smiles: O=C(NCCCCCCNC(=O)C(CC)CCCC)C(CC)CCCC
inchi:
InChI=1/C22H44N2O2/c1-5-9-15-19(7-3)21(25)23-17-13-11-12-14-18-24-22(26)20(8-4)16-10-6-2/h19-20H,5-18H2,1-4H3,(H,23,25)(H,24,26)


name: Stearoyl methyl beta-alanine
cas: 13222-32-7
chemspiderid: 75108
dtxsid: DTXSID70157439
formula: C22H43N1O3
inchikey: GMHCJCQMNYOULB-UHFFFAOYSA-N
norman_susdat_id: NS00024199
pubchem_cid: 83243
smiles: CCCCCCCCCCCCCCCCCC(=O)N(C)CCC(=O)O
inchi:
InChI=1S/C22H43NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)23(2)20-19-22(25)26/h3-20H2,1-2H3,(H,25,26)


name: Ethyldimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl]ammonium ethyl sulphate
cas: 13223-03-5
dtxsid: DTXSID7065380
formula: C10H20NO2
inchikey: QUUVXPUXYIWGHA-UHFFFAOYSA-M
norman_susdat_id: NS00052534
pubchem_cid: 83244
smiles: O=C(OCC[N+](C)(C)CC)C(=C)C.O=S(=O)([O-])OCC
inchi:
InChI=1/C10H20NO2.C2H6O4S/c1-6-11(4,5)7-8-13-10(12)9(2)3;1-2-6-7(3,4)5/h2,6-8H2,1,3-5H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: Reduced Lantadene A (Angeloyloxyoleanolic acid)
cas: 13224-63-0
chemspiderid: 73346049
formula: C35H54O5
inchikey: BJFLQQFMBZHWKK-JBJZXSFLSA-N
norman_susdat_id: NS00093880
pubchem_cid: 30822212
smiles:
C/C=C(/C)C(=O)O[C@@H]1CC(C[C@@H]2[C@]1(CC[C@@]3(C2=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H](C5(C)C)O)C)C)C)C(=O)O)(C)C


name: Santalyl acetate
cas: 1323-00-8
formula: C17H26O2
inchikey: RCFGRZLLBGMERD-UHFFFAOYSA-N
norman_susdat_id: NS00044617
pubchem_cid: 524257
smiles: O=C(OCC(=CCCC1(C(=C)C2CCC1C2)C)C)C
inchi:
InChI=1/C17H26O2/c1-12(11-19-14(3)18)6-5-9-17(4)13(2)15-7-8-16(17)10-15/h6,15-16H,2,5,7-11H2,1,3-4H3


name: Sodium tris(1-methylethyl)naphthalenesulphonate
cas: 1323-19-9
dtxsid: DTXSID4044537
formula: C19H26O3S
inchikey: RLWYOEZLEULOLU-UHFFFAOYSA-M
norman_susdat_id: NS00045832
pubchem_cid: 3019900
smiles: [Na+].O=S(=O)([O-])C1=C2C=CC=CC2=C(C(=C1C(C)C)C(C)C)C(C)C
inchi:
InChI=1/C19H26O3S.Na/c1-11(2)16-14-9-7-8-10-15(14)19(23(20,21)22)18(13(5)6)17(16)12(3)4;/h7-13H,1-6H3,(H,20,21,22);/q;+1/p-1


name: Strychnine glycerophosphate
cas: 1323-31-5
formula: C21H22N2O2.1/2C3H9O6P
inchikey: ROQNYMQPZHTPCA-ZEYGOCRCSA-N
norman_susdat_id: NS00081443
smiles: OCC(O)COP(=O)(O)O.O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67
inchi:
InChI=1/C21H22N2O2.C3H9O6P/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;4-1-3(5)2-9-10(6,7)8/h1-5,13,16-17,19-20H,6-11H2;3-5H,1-2H2,(H2,6,7,8)


name: Octadecanoic acid, hydroxy-â€‹, monoester with 1,â€‹2,â€‹3-â€‹propanetriol
cas: 1323-42-8
chemspiderid: 92678
dtxsid: DTXSID9051666
formula: C21H42O5
inchikey: YIDBZTKQBSDQDX-UHFFFAOYSA-N
norman_susdat_id: NS00013701
pubchem_cid: 102606
smiles: CCCCCCCCCCCCCCCCC(O)C(=O)OC(CO)CO
inchi:
InChI=1S/C21H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(24)21(25)26-19(17-22)18-23/h19-20,22-24H,2-18H2,1H3


name: dinonyl phenol
cas: 1323-65-5
chemspiderid: 8406
formula: C24H42O1
inchikey: FDAJTLLBHNHECW-UHFFFAOYSA-N
norman_susdat_id: NS00009543
pubchem_cid: 8735
smiles: CCCCCCCCCc1ccc(O)c(CCCCCCCCC)c1
inchi:
InChI=1S/C24H42O/c1-3-5-7-9-11-13-15-17-22-19-20-24(25)23(21-22)18-16-14-12-10-8-6-4-2/h19-21,25H,3-18H2,1-2H3


name: DI-BETA-NAPHTHYL-P-PHENYLENEDIAMINE
cas: 1323-70-2
dtxsid: DTXSID60157468
formula: C26H20N2
inchikey: KJNQZNYESTUILY-UHFFFAOYSA-N
norman_susdat_id: NS00113665
smiles: NC1=C(C2=CC3=CC=CC=C3C=C2)C(=C(N)C=C1)C1=CC2=CC=CC=C2C=C1
inchi:
InChI=1S/C26H20N2/c27-23-13-14-24(28)26(22-12-10-18-6-2-4-8-20(18)16-22)25(23)21-11-9-17-5-1-3-7-19(17)15-21/h1-16H,27-28H2


name: Santalyl phenylacetate
cas: 1323-75-7
chebiid: CHEBI:174557
formula: C23H30O2
inchikey: FIZFZQIBGCHOJY-UHFFFAOYSA-N
norman_susdat_id: NS00045833
pubchem_cid: 73557527
smiles: O=C(OCC(=CCCC1(C(=C)C2CCC1C2)C)C)CC=3C=CC=CC3
inchi:
InChI=1/C23H30O2/c1-17(16-25-22(24)14-19-9-5-4-6-10-19)8-7-13-23(3)18(2)20-11-12-21(23)15-20/h4-6,8-10,20-21H,2,7,11-16H2,1,3H3


name: GLYCERYL DISTEARATE
cas: 1323-83-7
chemspiderid: 91503
formula: C39H76O5
inchikey: IZHVBANLECCAGF-UHFFFAOYSA-N
norman_susdat_id: NS00013699
pubchem_cid: 101269
smiles: CCCCCCCCCCCCCCCCCC(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3


name: N-[2-(3,4-Dimethoxyphenyl)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide
cas: 13230-87-0
dtxsid: DTXSID70343774
formula: C14H14F7NO3
inchikey: VLLJJJGOUHIKJE-UHFFFAOYSA-N
norman_susdat_id: NS00111213
smiles: COC1=C(OC)C=C(CCNC(=O)C(F)(F)C(F)(F)C(F)(F)F)C=C1
inchi:
InChI=1S/C14H14F7NO3/c1-24-9-4-3-8(7-10(9)25-2)5-6-22-11(23)12(15,16)13(17,18)14(19,20)21/h3-4,7H,5-6H2,1-2H3,(H,22,23)


name: 3-{2-[Di(propan-2-yl)amino]ethyl}-1H-indol-4-ol
cas: 132328-45-1
chemspiderid: NA
dtxsid: DTXSID50618836
formula: C16H24N2O1
inchikey: KBRYKXCBGISXQV-UHFFFAOYSA-N
norman_susdat_id: NS00017620
pubchem_cid: 21854225
smiles: CC(C)N(CCC1=CNC2=C1C(=CC=C2)O)C(C)C
inchi:
InChI=1S/C16H24N2O/c1-11(2)18(12(3)4)9-8-13-10-17-14-6-5-7-15(19)16(13)14/h5-7,10-12,17,19H,8-9H2,1-4H3


cas: 1323403-33-3
formula: C25H27N3O5
inchikey: IXZOHGPZAQLIBH-NRFANRHFSA-N
norman_susdat_id: NS00073394
pubchem_cid: 67335295
smiles: O=C1CC[C@H](N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)N1
name:
3-(4-{[4-(morpholin-4-ylmethyl)phenyl]methoxy}-1-oxo-2,3-dihydro-1h-isoindol-2-yl)piperidine-2,6-dione

inchi:
InChI=1S/C25H27N3O5/c29-23-9-8-21(24(30)26-23)28-15-20-19(25(28)31)2-1-3-22(20)33-16-18-6-4-17(5-7-18)14-27-10-12-32-13-11-27/h1-7,21H,8-16H2,(H,26,29,30)/t21-/m0/s1


name: Fmoc-Asn(Trt)-OH
cas: 132388-59-1
chemspiderid: 555611
dtxsid: DTXSID80348710
formula: C38H32N2O5
inchikey: KJYAFJQCGPUXJY-UMSFTDKQSA-N
norman_susdat_id: NS00020573
pubchem_cid: 640248
smiles: NC(=O)C[C@H](N(C(=O)OCC1c2ccccc2c2c1cccc2)C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O
inchi:
InChI=1S/C38H32N2O5/c39-35(41)24-34(36(42)43)40(37(44)45-25-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33)38(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-23,33-34H,24-25H2,(H2,39,41)(H,42,43)/t34-/m0/s1


name: 2-Thiocytidine
cas: 13239-97-9
chebiid: CHEBI:19780
chemspiderid: 4419947
dtxsid: DTXSID30157516
formula: C9H13N3O4S1
inchikey: RHFUOMFWUGWKKO-XVFCMESISA-N
norman_susdat_id: NS00024211
pubchem_cid: 3011746
smiles: Nc1nc(=S)n(cc1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
inchi:
InChI=1S/C9H13N3O4S/c10-5-1-2-12(9(17)11-5)8-7(15)6(14)4(3-13)16-8/h1-2,4,6-8,13-15H,3H2,(H2,10,11,17)/t4-,6-,7-,8-/m1/s1


name: Dichlorodibenzo(def,mno)chrysene-6,12-dione
cas: 1324-02-3
chemspiderid: 4953704
dtxsid: DTXSID50157518
formula: C22H8Cl2O2
inchikey: LCTLMIPZSQBZAG-UHFFFAOYSA-N
norman_susdat_id: NS00020987
pubchem_cid: 6451231
smiles: Clc1cc2ccc3c(=O)c4c5c(ccc6c5c3c2c(c1Cl)c6=O)ccc4
inchi:
InChI=1S/C22H8Cl2O2/c23-14-8-10-5-7-12-18-16(10)19(20(14)24)22(26)13-6-4-9-2-1-3-11(21(12)25)15(9)17(13)18/h1-8H


name: Dibromodibenzo[b,def]chrysene-7,14-dione
cas: 1324-11-4
dtxsid: DTXSID9051668
formula: C24H10Br2O2
inchikey: VAAJRTXBNUYYAG-UHFFFAOYSA-N
norman_susdat_id: NS00045864
pubchem_cid: 19437464
smiles: O=C1C=2C=CC=CC2C=3C=CC=4C(=O)C=5C(Br)=C(Br)C=CC5C6=CC=C1C3C46
inchi:
InChI=1/C24H10Br2O2/c25-18-10-9-14-13-6-7-16-19-12(11-3-1-2-4-15(11)23(16)27)5-8-17(20(13)19)24(28)21(14)22(18)26/h1-10H


name: Disodium dibromodibenzo[b,def]chrysene-7,14-diyl bis(sulphate)
cas: 1324-15-8
formula: C24H12Br2O8S2
inchikey: FVIUVDRWXKULGT-UHFFFAOYSA-L
norman_susdat_id: NS00045375
pubchem_cid: 44152070
smiles: [Na+].[Na+].O=S(=O)([O-])OC=1C=2C=CC=CC2C=3C=CC4=C(OS(=O)(=O)[O-])C=5C(Br)=C(Br)C=CC5C=6C=CC1C3C46
inchi:
InChI=1/C24H12Br2O8S2.2Na/c25-18-10-9-14-13-6-7-16-19-12(11-3-1-2-4-15(11)23(16)33-35(27,28)29)5-8-17(20(13)19)24(21(14)22(18)26)34-36(30,31)32;;/h1-10H,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2


name: Bromobenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-dione
cas: 1324-17-0
dtxsid: DTXSID90862634
formula: C34H15BrO2
inchikey: ULIDAIFZDPOEBM-UHFFFAOYSA-N
norman_susdat_id: NS00044662
pubchem_cid: 21115282
smiles: O=C1C=2C=CC=CC2C=3C=CC=4C=5C=CC=6C(=O)C=7C(Br)=CC=CC7C8=CC=C(C9=CC=C1C3C94)C5C68
inchi:
InChI=1/C34H15BrO2/c35-27-7-3-6-17-19-10-11-21-22-12-14-25-30-18(16-4-1-2-5-24(16)33(25)36)8-9-20(28(22)30)23-13-15-26(31(19)29(21)23)34(37)32(17)27/h1-15H


name: C.I. Mordant Black 13
cas: 1324-21-6
chemspiderid: 66619
dtxsid: DTXSID5061669
formula: C26H18N2O9S2
inchikey: VBUCPERXCODTAQ-UHFFFAOYSA-L
norman_susdat_id: NS00020988
pubchem_cid: NA
smiles: [Na+].[Na+].Oc1c(Nc2ccc(cc2)S(=O)(=O)[O-])cc(Nc2ccc(cc2)S(=O)(=O)[O-])c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C26H18N2O9S2/c29-24-18-3-1-2-4-19(18)25(30)23-22(24)20(27-14-5-9-16(10-6-14)38(32,33)34)13-21(26(23)31)28-15-7-11-17(12-8-15)39(35,36)37/h1-13,27-28,31H,(H,32,33,34)(H,35,36,37)


name: Trichloro-6,15-dihydroanthrazine-5,9,14,18-tetrone
cas: 1324-26-1
dtxsid: DTXSID70927659
formula: C28H11Cl3N2O4
inchikey: YPEWPHNFXYTWET-UHFFFAOYSA-N
norman_susdat_id: NS00045421
pubchem_cid: NA
smiles: O=C1C=2C=CC=CC2C(=O)C=3C1=CC=C4NC=5C(=CC=C6C(=O)C7=C(Cl)C(Cl)=C(Cl)C=C7C(=O)C65)NC43
inchi:
InChI=1/C28H11Cl3N2O4/c29-15-9-14-18(22(31)21(15)30)27(36)13-6-8-17-24(20(13)28(14)37)33-16-7-5-12-19(23(16)32-17)26(35)11-4-2-1-3-10(11)25(12)34/h1-9,32-33H


name: Chloro-6,15-dihydroanthrazine-5,9,14,18-tetrone
cas: 1324-27-2
dtxsid: DTXSID80927660
formula: C28H13ClN2O4
inchikey: FMQYRNHIUXVQBR-UHFFFAOYSA-N
norman_susdat_id: NS00044666
pubchem_cid: 18955562
smiles: O=C1C=2C=CC=CC2C(=O)C=3C1=CC=C4NC=5C(=CC=C6C(=O)C=7C(Cl)=CC=CC7C(=O)C65)NC43
inchi:
InChI=1/C28H13ClN2O4/c29-17-7-3-6-14-20(17)27(34)16-9-11-19-24(22(16)28(14)35)31-18-10-8-15-21(23(18)30-19)26(33)13-5-2-1-4-12(13)25(15)32/h1-11,30-31H


name: 6,15-dihydrohydroxyanthrazine-5,9,14,18-tetrone
cas: 1324-28-3
dtxsid: DTXSID40927661
formula: C28H14N2O5
inchikey: DQIWJQPEXWBRHB-UHFFFAOYSA-N
norman_susdat_id: NS00045376
pubchem_cid: 22280987
smiles: O=C1C=2C=CC=CC2C(=O)C=3C1=CC=C4NC=5C(=CC=C6C(=O)C=7C(O)=CC=CC7C(=O)C65)NC43
inchi:
InChI=1/C28H14N2O5/c31-19-7-3-6-14-20(19)27(34)16-9-11-18-24(22(16)28(14)35)30-17-10-8-15-21(23(17)29-18)26(33)13-5-2-1-4-12(13)25(15)32/h1-11,29-31H


name: Sodium 5,6,9,14,15,18-hexahydro-5,9,14,18-tetraoxoanthrazinesulphonate
cas: 1324-29-4
dtxsid: DTXSID00927662
formula: C28H14N2O7S
inchikey: MCMQCTRZELFHCC-UHFFFAOYSA-M
norman_susdat_id: NS00045865
pubchem_cid: 57347920
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C=3C1=CC=C4NC=5C(=CC=C6C(=O)C=7C(=CC=CC7S(=O)(=O)[O-])C(=O)C65)NC43
inchi:
InChI=1/C28H14N2O7S.Na/c31-25-12-4-1-2-5-13(12)26(32)21-15(25)8-10-17-23(21)29-18-11-9-16-22(24(18)30-17)28(34)14-6-3-7-19(38(35,36)37)20(14)27(16)33;/h1-11,29-30H,(H,35,36,37);/q;+1/p-1


name: 8,16-Pyranthrenedione, tribromo-
cas: 1324-33-0
chemspiderid: 141100
dtxsid: DTXSID4061670
formula: C30H11Br3O2
inchikey: UONIWDRQOAPMNV-UHFFFAOYSA-N
norman_susdat_id: NS00020989
pubchem_cid: 160572
smiles: Brc1c(Br)c(Br)c2C(=O)c3ccc4cc5c6c(cccc6)C(=O)c6c5c5c4c3c(cc5cc6)c2c1
inchi:
InChI=1S/C30H11Br3O2/c31-21-11-20-19-10-13-5-7-16-24-18(14-3-1-2-4-15(14)29(16)34)9-12-6-8-17(25(19)23(12)22(13)24)30(35)26(20)28(33)27(21)32/h1-11H


name: 8,16-Pyranthrenedione, trichloro-
cas: 1324-34-1
chemspiderid: 2300887
dtxsid: DTXSID9061671
formula: C30H11Cl3O2
inchikey: TYXGVROLOQMZIC-UHFFFAOYSA-N
norman_susdat_id: NS00020990
pubchem_cid: 3037033
smiles: Clc1c(Cl)c(Cl)c2C(=O)c3ccc4cc5c6c(cccc6)C(=O)c6c5c5c4c3c(cc5cc6)c2c1
inchi:
InChI=1S/C30H11Cl3O2/c31-21-11-20-19-10-13-5-7-16-24-18(14-3-1-2-4-15(14)29(16)34)9-12-6-8-17(25(19)23(12)22(13)24)30(35)26(20)28(33)27(21)32/h1-11H


name: Dibromopyranthrene-8,16-dione
cas: 1324-35-2
dtxsid: DTXSID60904277
formula: C30H12Br2O2
inchikey: HJICBVMRKHYRDH-UHFFFAOYSA-N
norman_susdat_id: NS00044667
pubchem_cid: 3034675
smiles: O=C1C=2C=CC=CC2C=3C=C4C=CC=5C(=O)C=6C(Br)=C(Br)C=CC6C7=CC8=CC=C1C3C8=C4C57
inchi:
InChI=1/C30H12Br2O2/c31-22-10-9-16-21-12-14-5-7-18-25-20(15-3-1-2-4-17(15)29(18)33)11-13-6-8-19(26(21)24(13)23(14)25)30(34)27(16)28(22)32/h1-12H


name: Disodium 7,17-dichloro-10,20-dihydrodiindeno[2,1-b:2',1'-m]triphenodioxazinedisulphonate
cas: 1324-43-2
dtxsid: DTXSID10157519
formula: C32H16Cl2N2O8S2
inchikey: UOLGNGPANGZUAJ-UHFFFAOYSA-L
norman_susdat_id: NS00044668
pubchem_cid: 56842172
inchi:
InChI=1/C32H16Cl2N2O8S2.2Na/c33-26-28-30(43-23-11-18-14(9-21(23)35-28)7-13-3-1-2-4-16(13)18)27(34)29-31(26)44-24-12-19-15(10-22(24)36-29)8-20-17(19)5-6-25(45(37,38)39)32(20)46(40,41)42;;/h1-6,9-12H,7-8H2,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=C2C=3C=C4OC5=C(Cl)C6=NC=7C=C8C(=CC7OC6=C(Cl)C5=NC4=CC3CC2=C1S(=O)(=O)[O-])C=9C=CC=CC9C8


name: Disodium 1-amino-4-(4-dodecylsulphonatoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
cas: 1324-53-4
dtxsid: DTXSID80927665
formula: C32H38N2O8S2
inchikey: WIWGQTZNHNTAOB-UHFFFAOYSA-L
norman_susdat_id: NS00045422
pubchem_cid: 164815
inchi:
InChI=1/C32H38N2O8S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-14-21-17-18-24(26(19-21)43(37,38)39)34-25-20-27(44(40,41)42)30(33)29-28(25)31(35)22-15-12-13-16-23(22)32(29)36;;/h12-13,15-20,34H,2-11,14,33H2,1H3,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)[O-])NC4=CC=C(C=C4S(=O)(=O)[O-])CCCCCCCCCCCC


name: C.I. Vat Violet 1
cas: 1324-55-6
chemspiderid: 14189
formula: C34H14Cl2O2
inchikey: KOTVVDDZWMCZBT-UHFFFAOYSA-N
norman_susdat_id: NS00020991
pubchem_cid: 14884
smiles: Clc1cc2c3c(ccc4C(=O)c5c(cccc5)c1c34)c1cc(Cl)c3c4c(cccc4)C(=O)c4c3c1c2cc4
inchi:
InChI=1S/C34H14Cl2O2/c35-25-13-23-18-10-12-22-32-28(18)24(14-26(36)30(32)16-6-2-4-8-20(16)34(22)38)17-9-11-21-31(27(17)23)29(25)15-5-1-3-7-19(15)33(21)37/h1-14H


name: Disodium dichlorobenzo[rst]phenanthro[10,1,2-cde]pentaphene-9,18-diyl disulphate
cas: 1324-57-8
dtxsid: DTXSID20157520
formula: C34H16Cl2O8S2
inchikey: BBLRYBKSEBCCKJ-UHFFFAOYSA-L
norman_susdat_id: NS00045884
pubchem_cid: 56842174
inchi:
InChI=1/C34H16Cl2O8S2.2Na/c35-26-14-13-22-21-8-7-18-19-9-11-24-29-16(15-3-1-2-4-23(15)33(24)43-45(37,38)39)5-6-17(27(19)29)20-10-12-25(30(21)28(18)20)34(31(22)32(26)36)44-46(40,41)42;;/h1-14H,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])OC=1C=2C=CC=CC2C=3C=CC=4C=5C=CC6=C(OS(=O)(=O)[O-])C=7C(Cl)=C(Cl)C=CC7C=8C=CC(=C9C=CC1C3C94)C5C68


cas: 1324-58-9
dtxsid: DTXSID30889446
formula: C34H22Cl2N4O11S3
inchikey: LNZOSXVKNICVIT-UHFFFAOYSA-K
norman_susdat_id: NS00045885
pubchem_cid: NA
name:
Trisodium 8,18-dichloro-5,15-diethyl-5,15-dihydrodiindolo[3,2-b:3',2'-m]triphenodioxazinetrisulphonate

inchi:
InChI=1/C34H22Cl2N4O11S3.3Na/c1-3-39-19-8-6-5-7-14(19)15-9-17-23(11-20(15)39)50-31-28(36)30-32(27(35)29(31)37-17)51-24-12-21-16(10-18(24)38-30)26-22(40(21)4-2)13-25(52(41,42)43)33(53(44,45)46)34(26)54(47,48)49;;;/h5-13H,3-4H2,1-2H3,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=C2C(C=3C=C4N=C5C(Cl)=C6OC=7C=C8C(=CC7N=C6C(Cl)=C5OC4=CC3N2CC)C=9C=CC=CC9N8CC)=C(C1S(=O)(=O)[O-])S(=O)(=O)[O-]


name: C.I. Pigment Blue 61
cas: 1324-76-1
chemspiderid: 30988527
dtxsid: DTXSID2027383
formula: C37H29N3O3S1
inchikey: DVPLSZDCYOJSOG-UHFFFAOYSA-N
norman_susdat_id: NS00004260
pubchem_cid: 13797172
smiles: OS(=O)(=O)c1ccccc1N=C1C=CC(C=C1)=C(c1ccc(Nc2ccccc2)cc1)c1ccc(Nc2ccccc2)cc1
inchi:
InChI=1S/C37H29N3O3S/c41-44(42,43)36-14-8-7-13-35(36)40-34-25-19-29(20-26-34)37(27-15-21-32(22-16-27)38-30-9-3-1-4-10-30)28-17-23-33(24-18-28)39-31-11-5-2-6-12-31/h1-26,38-39H,(H,41,42,43)


cas: 1324-77-2
dtxsid: DTXSID4061672
formula: C37H29N3O6S2
inchikey: IZHYQFNFRVPCBD-UHFFFAOYSA-N
norman_susdat_id: NS00045424
pubchem_cid: 135764619
smiles: O=S(=O)(O)C=1C=CC=CC1NC2=CC=C(C=C2)C(=C3C=CC(=NC=4C=CC=CC4)C=C3)C5=CC=C(C=C5)NC=6C=CC=CC6S(=O)(=O)O
name:
Benzenesulfonic acid, [[4-[[4-(phenylimino)-2,5-cyclohexadien-1-ylidene][4-[(sulfophenyl)amino]phenyl]methyl]phenyl]amino]-

inchi:
InChI=1/C37H29N3O6S2/c41-47(42,43)35-12-6-4-10-33(35)39-31-22-16-27(17-23-31)37(26-14-20-30(21-15-26)38-29-8-2-1-3-9-29)28-18-24-32(25-19-28)40-34-11-5-7-13-36(34)48(44,45)46/h1-25,39-40H,(H,41,42,43)(H,44,45,46)


cas: 1324-86-3
formula: C40H31N3O6S2
inchikey: PCHTYMJTDHYWBP-HSEIHEFHSA-M
norman_susdat_id: NS00045425
pubchem_cid: 164820
name:
Sodium hydrogen 2-[[4-[(4-amino-m-tolyl)[4-[(sulphonato-2-naphthyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]amino]naphthalene-1-sulphonate

inchi:
InChI=1/C40H31N3O6S2.Na.H2/c1-25-24-30(14-21-35(25)41)38(28-10-17-31(18-11-28)42-36-22-15-26-6-2-4-8-33(26)39(36)50(44,45)46)29-12-19-32(20-13-29)43-37-23-16-27-7-3-5-9-34(27)40(37)51(47,48)49;;/h2-24,42H,41H2,1H3,(H,44,45,46)(H,47,48,49);;1H/q;2*+1/p-2

smiles:
[H+].[Na+].O=S(=O)([O-])C1=C(N=C2C=CC(C=C2)=C(C3=CC=C(C=C3)NC=4C=CC=5C=CC=CC5C4S(=O)(=O)[O-])C6=CC=C(N)C(=C6)C)C=CC=7C=CC=CC71


name: C.I. Direct Brown 33
cas: 1324-87-4
chemspiderid: 23349578
formula: C44H32N10O12S3
inchikey: OAQCBTLXRWQAOI-UHFFFAOYSA-K
norman_susdat_id: NS00020992
pubchem_cid: NA
inchi:
InChI=1S/C44H32N10O12S3/c45-41-35(51-50-30-10-5-25-17-33(68(61,62)63)22-38(56)34(25)20-30)15-16-36(42(41)46)52-53-37-21-32(67(58,59)60)18-26-19-39(69(64,65)66)43(44(57)40(26)37)54-49-28-8-3-24(4-9-28)23-1-6-27(7-2-23)47-48-29-11-13-31(55)14-12-29/h1-22,55-57H,45-46H2,(H,58,59,60)(H,61,62,63)(H,64,65,66)/b48-47-,51-50?,53-52?,54-49+

smiles:
c1cc(ccc1c2ccc(cc2)N=Nc3c(cc4cc(cc(c4c3O)N=Nc5ccc(c(c5N)N)N=Nc6ccc7cc(cc(c7c6)O)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])N=Nc8ccc(cc8)O.[Na+].[Na+].[Na+]


cas: 132405-54-0
dtxsid: DTXSID80896605
formula: C25H7F41O2
inchikey: QWUFNQYGXMUGOZ-UHFFFAOYSA-N
norman_susdat_id: NS00111838
name:
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-Hentetracontafluorohenicosyl 2-methylprop-2-enoate

inchi:
InChI=1S/C25H7F41O2/c1-4(2)5(67)68-3-6(26,27)7(28,29)8(30,31)9(32,33)10(34,35)11(36,37)12(38,39)13(40,41)14(42,43)15(44,45)16(46,47)17(48,49)18(50,51)19(52,53)20(54,55)21(56,57)22(58,59)23(60,61)24(62,63)25(64,65)66/h1,3H2,2H3

smiles:
CC(=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Pulmatin
cas: 13241-28-6
chebiid: CHEBI:3688
chemspiderid: 391079
dtxsid: DTXSID60157529
formula: C21H20O9
inchikey: WMMOMSNMMDMSRB-JNHRPPPUSA-N
norman_susdat_id: NS00094742
pubchem_cid: 442731
smiles: CC1=CC2=C(C(O)=C1)C(=O)C1=C(C=CC=C1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C2=O
inchi:
InChI=1S/C21H20O9/c1-8-5-10-14(11(23)6-8)18(26)15-9(16(10)24)3-2-4-12(15)29-21-20(28)19(27)17(25)13(7-22)30-21/h2-6,13,17,19-23,25,27-28H,7H2,1H3/t13-,17-,19+,20-,21-/m1/s1


name: Neoeriocitrin
cas: 13241-32-2
chebiid: CHEBI:7502
chemspiderid: 102656
dtxsid: DTXSID70157530
formula: C27H32O15
inchikey: OBKKEZLIABHSGY-DOYQYKRZSA-N
norman_susdat_id: NS00024212
pubchem_cid: 114627
inchi:
InChI=1S/C27H32O15/c1-9-20(33)22(35)24(37)26(38-9)42-25-23(36)21(34)18(8-28)41-27(25)39-11-5-14(31)19-15(32)7-16(40-17(19)6-11)10-2-3-12(29)13(30)4-10/h2-6,9,16,18,20-31,33-37H,7-8H2,1H3/t9-,16-,18+,20-,21+,22+,23?,24?,25+,26-,27+/m0/s1

smiles:
C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]2Oc2cc(O)c3C(=O)C[C@H](Oc3c2)c2cc(O)c(O)cc2)[C@H](O)[C@H](O)[C@H]1O


name: Neohesperidin
cas: 13241-33-3
chebiid: CHEBI:59016
chemspiderid: 203119
formula: C28H34O15
inchikey: ARGKVCXINMKCAZ-UZRWAPQLSA-N
norman_susdat_id: NS00015836
pubchem_cid: 442439
smiles: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)OC)O)O)CO)O)O)O)O)O
inchi:
InChI=1S/C28H34O15/c1-10-21(33)23(35)25(37)27(39-10)43-26-24(36)22(34)19(9-29)42-28(26)40-12-6-14(31)20-15(32)8-17(41-18(20)7-12)11-3-4-16(38-2)13(30)5-11/h3-7,10,17,19,21-31,33-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1


cas: 13242-16-5
dtxsid: DTXSID30864379
formula: C31H33N3O2S
inchikey: OZCLZZYQFDQMOF-UHFFFAOYSA-N
norman_susdat_id: NS00052537
pubchem_cid: 114628
smiles: O=C1C(=CC=C2OC=3C=4C=CC=CC4C=CC3N2CC)N(C=5C=CC=CC5)C(=S)N1CCCCCCC
name:
5-[(3-ethylnaphth[2,1-d]oxazol-2(3H)-ylidene)ethylidene]-3-heptyl-1-phenyl-2-thioxoimidazolidin-4-one

inchi:
InChI=1/C31H33N3O2S/c1-3-5-6-7-13-22-33-30(35)27(34(31(33)37)24-15-9-8-10-16-24)20-21-28-32(4-2)26-19-18-23-14-11-12-17-25(23)29(26)36-28/h8-12,14-21H,3-7,13,22H2,1-2H3


name: Methyl 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate
cas: 132424-37-4
dtxsid: DTXSID70895667
formula: C12H7F17O2
inchikey: CZMPFGNWUIUUEE-UHFFFAOYSA-N
norman_susdat_id: NS00111427
smiles: COC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H7F17O2/c1-31-4(30)2-3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h2-3H2,1H3


name: Lesopitron
cas: 132449-46-8
dtxsid: DTXSID40157587
formula: C15H21ClN6
inchikey: AHCPKWJUALHOPH-UHFFFAOYSA-N
norman_susdat_id: NS00068639
pubchem_cid: 60813
smiles: Clc1cnn(CCCCN2CCN(c3ncccn3)CC2)c1
inchi:
InChI=1S/C15H21ClN6/c16-14-12-19-22(13-14)7-2-1-6-20-8-10-21(11-9-20)15-17-4-3-5-18-15/h3-5,12-13H,1-2,6-11H2


name: Diethyl 4,4'-(1,3,6,8-tetraoxo-1,3,6,8-tetrahydrobenzo[lmn][3,8]phenanthroline-2,7-diyl)dibenzoate
cas: 132459-54-2
formula: C32H22N2O8
inchikey: VJGZSQFTKVTZJM-UHFFFAOYSA-N
norman_susdat_id: NS00097014
smiles: CCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C4C(=CC=C5C4=C(C=C3)C(=O)N(C5=O)C6=CC=C(C=C6)C(=O)OCC)C2=O
inchi:
InChI=1S/C32H22N2O8/c1-3-41-31(39)17-5-9-19(10-6-17)33-27(35)21-13-15-23-26-24(16-14-22(25(21)26)28(33)36)30(38)34(29(23)37)20-11-7-18(8-12-20)32(40)42-4-2/h5-16H,3-4H2,1-2H3


name: Febarbamate
cas: 13246-02-1
chebiid: CHEBI:135655
chemspiderid: 24039
formula: C20H27N3O6
inchikey: QHZQILHUJDRDAI-UHFFFAOYSA-N
norman_susdat_id: NS00005989
pubchem_cid: 25803
smiles: CCCCOCC(CN1C(=O)N=C(O)C(CC)(C1=O)c1ccccc1)OC(O)=N
inchi:
InChI=1S/C20H27N3O6/c1-3-5-11-28-13-15(29-18(21)26)12-23-17(25)20(4-2,16(24)22-19(23)27)14-9-7-6-8-10-14/h6-10,15H,3-5,11-13H2,1-2H3,(H2,21,26)(H,22,24,27)


name: Barium(2+) hydrogen 2-[(2-hydroxy-3,6-disulphonato-1-naphthyl)azo]benzoate
cas: 1325-16-2
dtxsid: DTXSID90889447
formula: C17H12N2O9S2
inchikey: RFDAZYMKYSTWBI-UHFFFAOYSA-L
norman_susdat_id: NS00045886
pubchem_cid: 15785
smiles: [H+].[Ba+2].O=C([O-])C=1C=CC=CC1N=NC=2C(O)=C(C=C3C=C(C=CC32)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C17H12N2O9S2.Ba.H2/c20-16-14(30(26,27)28)8-9-7-10(29(23,24)25)5-6-11(9)15(16)19-18-13-4-2-1-3-12(13)17(21)22;;/h1-8,20H,(H,21,22)(H,23,24,25)(H,26,27,28);;1H/q;+2;+1/p-3


name: 4,4'-{[4-(Methylimino)-2,5-cyclohexadien-1-ylidene]methylene}bis(N,N-dimethylaniline)
cas: 1325-82-2
chemspiderid: 14190
formula: C24H27N3
inchikey: AMPCGOAFZFKBGH-UHFFFAOYSA-N
norman_susdat_id: NS00019775
pubchem_cid: 164877
smiles: CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C)C=C1
inchi:
InChI=1S/C24H27N3/c1-25-21-12-6-18(7-13-21)24(19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5/h6-17H,1-5H3


name: alpha,alpha-Bis[4-(dimethylamino)phenyl]-4-(methylphenylamino)-1-naphthalenemethanol
cas: 1325-85-5
chemspiderid: 4953708
dtxsid: DTXSID20157601
formula: C34H35N3O1
inchikey: SOCBTLQQCNFNIE-UHFFFAOYSA-N
norman_susdat_id: NS00020994
pubchem_cid: 6451235
smiles: CN(C)c1ccc(cc1)C(O)(c1ccc(cc1)N(C)C)c1c2ccccc2c(cc1)N(C)c1ccccc1
inchi:
InChI=1S/C34H35N3O/c1-35(2)27-19-15-25(16-20-27)34(38,26-17-21-28(22-18-26)36(3)4)32-23-24-33(31-14-10-9-13-30(31)32)37(5)29-11-7-6-8-12-29/h6-24,38H,1-5H3


name: 1-Naphthalenemethanol, alpha,alpha-bis[4-(diethylamino)phenyl]-4-(ethylamino)-
cas: 1325-86-6
chemspiderid: 66622
dtxsid: DTXSID9061673
formula: C33H41N3O1
inchikey: ZDMVLXPCERUWIR-UHFFFAOYSA-N
norman_susdat_id: NS00020381
pubchem_cid: 73994
smiles: CCNc1ccc(c2c1cccc2)C(O)(c1ccc(cc1)N(CC)CC)c1ccc(cc1)N(CC)CC
inchi:
InChI=1S/C33H41N3O/c1-6-34-32-24-23-31(29-13-11-12-14-30(29)32)33(37,25-15-19-27(20-16-25)35(7-2)8-3)26-17-21-28(22-18-26)36(9-4)10-5/h11-24,34,37H,6-10H2,1-5H3


name: Diethyl (((6-methyl-2-pyridyl)amino)methylene)malonate
cas: 13250-95-8
chemspiderid: 75128
dtxsid: DTXSID00157604
formula: C14H18N2O4
inchikey: IAXFBMUDERBERN-UHFFFAOYSA-N
norman_susdat_id: NS00024218
pubchem_cid: 83264
smiles: CCOC(=O)C(=CNc1nc(C)ccc1)C(=O)OCC
inchi:
InChI=1S/C14H18N2O4/c1-4-19-13(17)11(14(18)20-5-2)9-15-12-8-6-7-10(3)16-12/h6-9H,4-5H2,1-3H3,(H,15,16)


name: Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid
cas: 13252-14-7
chemspiderid: 84026
dtxsid: DTXSID00892442
formula: C9H1F17O4
inchikey: OIVQVBDAMYDDEM-UHFFFAOYSA-N
norman_susdat_id: NS00001728
pubchem_cid: 93076
smiles: OC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C9HF17O4/c10-2(1(27)28,5(14,15)16)29-9(25,26)4(13,7(20,21)22)30-8(23,24)3(11,12)6(17,18)19/h(H,27,28)


name: HFPO hexamer acid fluoride
cas: 13252-15-8
chemspiderid: 109905
dtxsid: DTXSID30880216
formula: C18F36O6
inchikey: VOAMXAGBQIGIEI-UHFFFAOYSA-N
norman_susdat_id: NS00018757
pubchem_cid: 123299
inchi:
InChI=1S/C18F36O6/c19-1(55)2(20,8(27,28)29)56-15(47,48)4(23,10(33,34)35)58-17(51,52)6(25,12(39,40)41)60-18(53,54)7(26,13(42,43)44)59-16(49,50)5(24,11(36,37)38)57-14(45,46)3(21,22)9(30,31)32

smiles:
FC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F


name: Tramadol met 6 -279
cas: 132521-69-8
chemspiderid: NA
formula: C16H25N1O3
inchikey: WGXQSUYLNFXCHZ-UHFFFAOYSA-N
norman_susdat_id: NS00000925
pubchem_cid: NA
smiles: C1(C(CN(C)C)CCCC1)(O)C2=CC(OC)=CCC2=O
inchi:
InChI=1S/C16H25NO3/c1-17(2)11-12-6-4-5-9-16(12,19)14-10-13(20-3)7-8-15(14)18/h7,10,12,19H,4-6,8-9,11H2,1-3H3


name: Carbamic acid, [4-[(4-aminocyclohexyl)methyl]cyclohexyl]-
cas: 13253-82-2
chemspiderid: 75129
dtxsid: DTXSID2065385
formula: C14H26N2O2
inchikey: NAXYKJVXULDOFW-UHFFFAOYSA-N
norman_susdat_id: NS00021604
pubchem_cid: 83267
smiles: NC1CCC(CC2CCC(CC2)NC(=O)O)CC1
inchi:
InChI=1S/C14H26N2O2/c15-12-5-1-10(2-6-12)9-11-3-7-13(8-4-11)16-14(17)18/h10-13,16H,1-9,15H2,(H,17,18)/t10-,11-,12+,13-


name: Olanzapine
cas: 132539-06-1
chebiid: CHEBI:7735
chemspiderid: 10442212
dtxsid: DTXSID9023388
formula: C17H20N4S1
inchikey: KVWDHTXUZHCGIO-UHFFFAOYSA-N
norman_susdat_id: NS00000036
pubchem_cid: NA
smiles: Cc1cc2c(s1)Nc3ccccc3N=C2N4CCN(CC4)C
inchi:
InChI=1S/C17H20N4S/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12/h3-6,11,19H,7-10H2,1-2H3


name: Remifentanil hydrochloride
cas: 132539-07-2
chebiid: CHEBI:32091
dtxsid: DTXSID50157614
formula: C20H29ClN2O5
inchikey: WFBMIPUMYUHANP-UHFFFAOYSA-N
norman_susdat_id: NS00076316
smiles: Cl.CCC(=O)N(C1=CC=CC=C1)C1(CCN(CCC(=O)OC)CC1)C(=O)OC
inchi:
InChI=1S/C20H28N2O5.ClH/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2;/h5-9H,4,10-15H2,1-3H3;1H


name: N-[N-[(phenylmethoxy)carbonyl]-L-isoleucyl]glycine
cas: 13254-04-1
formula: C16H22N2O5
inchikey: RWAYODJQGJVQGX-IAXJKZSUSA-N
norman_susdat_id: NS00085898
smiles: CCC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)O
inchi:
InChI=1/C16H22N2O5/c1-3-11(2)14(15(21)17-9-13(19)20)18-16(22)23-10-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)


name: 3-Phenyl-N-(N-((phenylmethoxy)carbonyl)-L-isoleucyl)-L-alanine
cas: 13254-07-4
chemspiderid: 102659
dtxsid: DTXSID10157615
formula: C23H28N2O5
inchikey: ARWIWKBRNYMFJM-VDGAXYAQSA-N
norman_susdat_id: NS00024219
pubchem_cid: 114631
smiles: CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
inchi:
InChI=1S/C23H28N2O5/c1-3-16(2)20(25-23(29)30-15-18-12-8-5-9-13-18)21(26)24-19(22(27)28)14-17-10-6-4-7-11-17/h4-13,16,19-20H,3,14-15H2,1-2H3,(H,24,26)(H,25,29)(H,27,28)/t16-,19-,20-/m0/s1


name: Sodium icosanoate
cas: 13257-34-6
formula: C20H40O2.Na
inchikey: MRQYKJNZWPCFNB-UHFFFAOYSA-M
norman_susdat_id: NS00085899
smiles: [Na+].CCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C20H40O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2-19H2,1H3,(H,21,22);/q;+1/p-1


name: 9H-Fluoren-2-amine, 9,9-dimethyl-N,N-bis(4-methylphenyl)-
cas: 132571-92-7
chemspiderid: 9287044
dtxsid: DTXSID10455608
formula: C29H27N1
inchikey: DFQSBKNRMOWBLN-UHFFFAOYSA-N
norman_susdat_id: NS00005076
pubchem_cid: 11111910
smiles: Cc1ccc(cc1)N(c1ccc(C)cc1)c1ccc2-c3ccccc3C(C)(C)c2c1
inchi:
InChI=1S/C29H27N/c1-20-9-13-22(14-10-20)30(23-15-11-21(2)12-16-23)24-17-18-26-25-7-5-6-8-27(25)29(3,4)28(26)19-24/h5-19H,1-4H3


name: C.I. Pigment Violet 1
cas: 1326-03-0
chemspiderid: 17215787
dtxsid: DTXSID3025918
formula: C28H31N2O3
inchikey: FZSISABGNSYJHS-UHFFFAOYSA-P
norman_susdat_id: NS00019871
pubchem_cid: NA
smiles: O=[Mo]=O.OP(=O)(O)[O-].OS(=O)(=O)O.CCN(CC)c1cc2c(cc1)c(c1ccccc1C(=O)O)c1ccc(=[N+](CC)CC)cc1o2
inchi:
InChI=1S/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32/h9-18H,5-8H2,1-4H3/p+1


name: 2-nitrophenyl 2-acetamido-2-deoxy-ß-D-glucopyranoside
cas: 13264-92-1
chebiid: CHEBI:90334
formula: C14H18N2O8
inchikey: PXMQUEGJJUADKD-DHGKCCLASA-N
norman_susdat_id: NS00085905
smiles: CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1Oc2ccccc2[N+](=O)[O-]
inchi:
InChI=1/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-5-3-2-4-8(9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)


name: 6,6,7,7,8,8,9,9,10,10,11,11,11-Tridecafluoro-4-iodoundecan-1-ol
cas: 132665-00-0
dtxsid: DTXSID40446665
formula: C11H10F13IO
inchikey: FPLJNGUIASXYLD-UHFFFAOYSA-N
norman_susdat_id: NS00110213
smiles: OCCCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H10F13IO/c12-6(13,4-5(25)2-1-3-26)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5,26H,1-4H2


name: Glufosfamide
cas: 132682-98-5
dtxsid: DTXSID90869820
formula: C10H21Cl2N2O7P
inchikey: PSVUJBVBCOISSP-SPFKKGSWSA-N
norman_susdat_id: NS00069571
pubchem_cid: 123628
smiles: O=P(NCCCl)(NCCCl)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
inchi:
InChI=1S/C10H21Cl2N2O7P/c11-1-3-13-22(19,14-4-2-12)21-10-9(18)8(17)7(16)6(5-15)20-10/h6-10,15-18H,1-5H2,(H2,13,14,19)/t6-,7-,8+,9-,10+/m1/s1


name: N11-Ethyl-N6-methyl-9-nitro-6,11-dihydro-5H-pyrido(2,3-b)(1,5)benzodiazepin-5-one
cas: 132687-06-0
dtxsid: DTXSID30157713
formula: C15H14N4O3
inchikey: YCFJZPGDTZVVSM-UHFFFAOYSA-N
norman_susdat_id: NS00069363
smiles: CCN1c2cc([N+](=O)[O-])ccc2N(C)C(=O)c2cccnc21
inchi:
InChI=1S/C15H14N4O3/c1-3-18-13-9-10(19(21)22)6-7-12(13)17(2)15(20)11-5-4-8-16-14(11)18/h4-9H,3H2,1-2H3


name: calteridol
cas: 132722-73-7
chebiid: CHEBI:37387
chemspiderid: 54720
dtxsid: DTXSID20275657
formula: C17H32N4O7
inchikey: IQUHNCOJRJBMSU-UHFFFAOYSA-N
norman_susdat_id: NS00010352
pubchem_cid: 60715
smiles: CC(CN1CCN(CCN(CCN(CC1)CC(=O)O)CC(=O)O)CC(=O)O)O
inchi:
InChI=1S/C17H32N4O7/c1-14(22)10-18-2-4-19(11-15(23)24)6-8-21(13-17(27)28)9-7-20(5-3-18)12-16(25)26/h14,22H,2-13H2,1H3,(H,23,24)(H,25,26)(H,27,28)


name: Octadecanamide, N-octadecyl-
cas: 13276-08-9
chemspiderid: 75154
dtxsid: DTXSID6065393
formula: C36H73N1O1
inchikey: DJWFNQUDPJTSAD-UHFFFAOYSA-N
norman_susdat_id: NS00007156
pubchem_cid: 83292
smiles: CCCCCCCCCCCCCCCCCCNC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C36H73NO/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3,(H,37,38)


name: N-(4-(Dimethylamino)phenyl)stearamide
cas: 13279-06-6
chemspiderid: 75073
dtxsid: DTXSID90157799
formula: C26H46N2O1
inchikey: OOJMUMUFHMMPJC-UHFFFAOYSA-N
norman_susdat_id: NS00024239
pubchem_cid: 83295
smiles: CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(cc1)N(C)C
inchi:
InChI=1S/C26H46N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)27-24-20-22-25(23-21-24)28(2)3/h20-23H,4-19H2,1-3H3,(H,27,29)


name: Polychloro copper phthalocyanine
cas: 1328-53-6
dtxsid: DTXSID8025911
formula: C32H3Cl15CuN8
inchikey: BWWFBQOKGNVMQO-UHFFFAOYSA-N
norman_susdat_id: NS00074379
inchi:
InChI=1/C32H3Cl15N8.Cu/c33-2-1-3(34)12(35)5-4(2)25-48-26(5)50-28-8-9(16(39)22(45)21(44)15(8)38)30(52-28)54-32-11-10(17(40)23(46)24(47)18(11)41)31(55-32)53-29-7-6(27(49-25)51-29)13(36)19(42)20(43)14(7)37;/h1,25,29H;/q-2;+2

smiles:
ClC1=C2C3N=C(N=C4/N5[Cu]N6C(N=C7/N=C(/N=C5/C5=C(Cl)C(Cl)=C(Cl)C(Cl)=C45)C4=C(Cl)C(Cl)=C(Cl)C(Cl)=C74)C4=C(Cl)C(Cl)=C(Cl)C(Cl)=C4C6=N3)C2=C(Cl)C(Cl)=C1


name: Benzene, 1,4-bis[2-(2-methylphenyl)ethenyl]-
cas: 13280-61-0
chemspiderid: 85149
dtxsid: DTXSID6065395
formula: C24H22
inchikey: QKLPIYTUUFFRLV-UHFFFAOYSA-N
norman_susdat_id: NS00020055
pubchem_cid: 94347
smiles: Cc1c(/C=C/c2ccc(/C=C/c3c(C)cccc3)cc2)cccc1
inchi:
InChI=1S/C24H22/c1-19-7-3-5-9-23(19)17-15-21-11-13-22(14-12-21)16-18-24-10-6-4-8-20(24)2/h3-18H,1-2H3/b17-15+,18-16+


name: Benzene, 1-(3-phenoxyphenoxy)-3-(4-phenoxyphenoxy)-
cas: 13281-14-6
chemspiderid: 4906
dtxsid: DTXSID1065396
formula: C30H22O4
inchikey: SVFHRCOHIYYWMR-UHFFFAOYSA-N
norman_susdat_id: NS00024243
pubchem_cid: 83299
smiles: O(c1ccccc1)c1ccc(Oc2cc(Oc3cc(Oc4ccccc4)ccc3)ccc2)cc1
inchi:
InChI=1S/C30H22O4/c1-3-9-23(10-4-1)31-25-17-19-26(20-18-25)33-28-14-8-16-30(22-28)34-29-15-7-13-27(21-29)32-24-11-5-2-6-12-24/h1-22H


name: Blonanserin
cas: 132810-10-7
chebiid: CHEBI:31296
dtxsid: DTXSID7048790
formula: C23H30FN3
inchikey: XVGOZDAJGBALKS-UHFFFAOYSA-N
norman_susdat_id: NS00068341
pubchem_cid: 125564
smiles: CCN1CCN(c2cc(-c3ccc(F)cc3)c3c(n2)CCCCCC3)CC1
inchi:
InChI=1S/C23H30FN3/c1-2-26-13-15-27(16-14-26)23-17-21(18-9-11-19(24)12-10-18)20-7-5-3-4-6-8-22(20)25-23/h9-12,17H,2-8,13-16H2,1H3


name: N-[3-(dimethylamino)propyl]stearamide monoacetate
cas: 13282-70-7
formula: C23H48N2O.C2H4O2
inchikey: PKRDZHPWYDJXPO-UHFFFAOYSA-N
norman_susdat_id: NS00085165
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C.CC(=O)O
inchi:
InChI=1/C23H48N2O.C2H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2)3;1-2(3)4/h4-22H2,1-3H3,(H,24,26);1H3,(H,3,4)


name: Bismuth(3+) stearate
cas: 13283-68-6
formula: C18H36O2.1/3Bi
inchikey: UJLZCUXXZXSZQG-UHFFFAOYSA-K
norman_susdat_id: NS00085938
smiles: [BiH3+3].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/3C18H36O2.Bi.3H/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;/h3*2-17H2,1H3,(H,19,20);;;;/q;;;+3;;;/p-3/r3C18H36O2.BiH3/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*2-17H2,1H3,(H,19,20);1H3/q;;;+3/p-3


name: N-butylheptadecafluoro-N-(2-hydroxyethyl)octanesulphonamide
cas: 132-83-1
formula: C14H14F17NO3S
inchikey: ZFUCUZACOHLUFM-UHFFFAOYSA-N
norman_susdat_id: NS00083489
smiles: CCCCC(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)N(F)CCO
inchi:
InChI=1/C14H14F17NO3S/c1-2-3-4-7(15,36(34,35)32(31)5-6-33)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)30/h33H,2-6H2,1H3


name: 2-(((Heptadecafluorooctyl)sulphonyl)propylamino)ethyl methacrylate
cas: 13285-40-0
chemspiderid: 75163
dtxsid: DTXSID90880217
formula: C17H16F17N1O4S1
inchikey: XBWYIWRSPVIPCH-UHFFFAOYSA-N
norman_susdat_id: NS00011343
pubchem_cid: 83302
smiles: C(OC(C(C)=C)=O)CN(CCC)[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(C(F)(F)F)(F)F
inchi:
InChI=1S/C17H16F17NO4S/c1-4-5-35(6-7-39-9(36)8(2)3)40(37,38)17(33,34)15(28,29)13(24,25)11(20,21)10(18,19)12(22,23)14(26,27)16(30,31)32/h2,4-7H2,1,3H3


name: Triethylhexadecylammonium chloride
cas: 13287-79-1
dtxsid: DTXSID00927849
formula: C22H48N
inchikey: WPPGURUIRLDHAB-UHFFFAOYSA-M
norman_susdat_id: NS00051414
pubchem_cid: 83308
smiles: [Cl-].CCCCCCCCCCCCCCCC[N+](CC)(CC)CC
inchi:
InChI=1/C22H48N.ClH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(6-2,7-3)8-4;/h5-22H2,1-4H3;1H/q+1;/p-1


name: Remifentanil
cas: 132875-61-7
chebiid: CHEBI:8802
chemspiderid: 54803
dtxsid: DTXSID00157826
formula: C20H28N2O5
inchikey: ZTVQQQVZCWLTDF-UHFFFAOYSA-N
norman_susdat_id: NS00007756
pubchem_cid: 60815
smiles: CCC(=O)N(c1ccccc1)C1(CCN(CCC(=O)OC)CC1)C(=O)OC
inchi:
InChI=1S/C20H28N2O5/c1-4-17(23)22(16-8-6-5-7-9-16)20(19(25)27-3)11-14-21(15-12-20)13-10-18(24)26-2/h5-9H,4,10-15H2,1-3H3


name: 1-Piperidinepropanoic acid, 4-(methoxycarbonyl)-4-((1-oxopropyl)phenylamino)-
cas: 132875-68-4
dtxsid: DTXSID60157827
formula: C19H26N2O5
inchikey: GFJKFSFFMHOISI-UHFFFAOYSA-N
norman_susdat_id: NS00097762
smiles: CCC(=O)N(C1=CC=CC=C1)C2(CCN(CC2)CCC(=O)O)C(=O)OC
inchi:
InChI=1S/C19H26N2O5/c1-3-16(22)21(15-7-5-4-6-8-15)19(18(25)26-2)10-13-20(14-11-19)12-9-17(23)24/h4-8H,3,9-14H2,1-2H3,(H,23,24)


name: Hellebrin
cas: 13289-18-4
formula: C36H52O15
inchikey: DCSLTSSPIJWEJN-YRFFWODSSA-N
norman_susdat_id: NS00051887
pubchem_cid: 441859
smiles: O=CC12CCC(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)CC2(O)CCC5C1CCC6(C)C(C7=COC(=O)C=C7)CCC56O
inchi:
InChI=1/C36H52O15/c1-17-30(51-32-28(43)26(41)25(40)23(14-37)50-32)27(42)29(44)31(48-17)49-19-5-10-34(16-38)21-6-9-33(2)20(18-3-4-24(39)47-15-18)8-12-36(33,46)22(21)7-11-35(34,45)13-19/h3-4,15-17,19-23,25-32,37,40-46H,5-14H2,1-2H3


cas: 1329-99-3
formula: C10H16
norman_susdat_id: NS00106486
name:
Reaction mass of 1-Methyl-4-(1-methylethenyl)cyclohexene and 1-Methyl-4-(1-methylethylidene)-cyclohexene and 1-methyl-4-(propan-2-yl)cyclohexa-1,3-diene


name: 2-methylbenzene-1,4-diyl bis{4-[4-(acryloyloxy)butoxy]benzoate}
cas: 132900-75-5
chemspiderid: 8092669
formula: C35H36O10
inchikey: NLGINBDFXRCWQW-UHFFFAOYSA-N
norman_susdat_id: NS00007429
pubchem_cid: 9917022
smiles: Cc1cc(OC(=O)c2ccc(OCCCCOC(=O)C=C)cc2)ccc1OC(=O)c1ccc(OCCCCOC(=O)C=C)cc1
inchi:
InChI=1S/C35H36O10/c1-4-32(36)42-22-8-6-20-40-28-14-10-26(11-15-28)34(38)44-30-18-19-31(25(3)24-30)45-35(39)27-12-16-29(17-13-27)41-21-7-9-23-43-33(37)5-2/h4-5,10-19,24H,1-2,6-9,20-23H2,3H3


name: trans-cyclohexane-1,2-dinitrilotetraacetic acid
cas: 13291-61-7
formula: C14H22N2O8
inchikey: FCKYPQBAHLOOJQ-UHFFFAOYSA-N
norman_susdat_id: NS00093609
smiles: OC(=O)CN(CC(=O)O)C1CCCCC1N(CC(=O)O)CC(=O)O
inchi:
InChI=1/C14H22N2O8/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)


name: Sodium (R)-[(3-methoxy-1-methyl-3-oxoprop-1-enyl)amino]phenylacetate
cas: 13291-96-8
formula: C13H15NO4.Na
inchikey: VWAWMPXOFHGGMY-UTONKHPSSA-M
norman_susdat_id: NS00085203
smiles: [Na+].COC(=O)C=C(C)N[C@@H](C([O-])=O)c1ccccc1
inchi:
InChI=1/C13H15NO4.Na/c1-9(8-11(15)18-2)14-12(13(16)17)10-6-4-3-5-7-10;/h3-8,12,14H,1-2H3,(H,16,17);/q;+1/p-1


name: Rifampicin
cas: 13292-46-1
chebiid: CHEBI:71365
chemspiderid: 10468813
dtxsid: DTXSID6021244
formula: C43H58N4O12
inchikey: JQXXHWHPUNPDRT-WLSIYKJHSA-N
norman_susdat_id: NS00011698
pubchem_cid: NA
inchi:
InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49/h11-14,19-21,23-25,29,34-35,39,49-53H,15-18H2,1-10H3,(H,45,55)/b12-11+,19-14+,22-13-,44-20+/t21-,23+,24+,25+,29-,34-,35+,39+,43-/m0/s1

smiles:
C[C@H]1/C=C/C=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)[C@](O4)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)/C=N/N5CCN(CC5)C)/C


name: Octadeca-9-cis, 11-trans, 13-trans-trienoic acid
cas: 13296-76-9
chebiid: CHEBI:38382
formula: C18H30O2
inchikey: CUXYLFPMQMFGPL-UHFFFAOYSA-N
norman_susdat_id: NS00084798
smiles: CCCCC=CC=CC=CCCCCCCCC(=O)O
inchi:
InChI=1/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)


name: 1-deoxy-1-(methylamino)-D-glucitol, compound with antimonic acid (1:1)
cas: 133-51-7
formula: C7H17NO5.H.O3Sb
inchikey: UVSOMUCYKCLPNG-OVHUINQISA-K
norman_susdat_id: NS00079580
smiles: CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O[Sb](=O)(O)O
inchi:
InChI=1/C7H17NO5.3H2O.O.Sb/c1-8-2-4(10)6(12)7(13)5(11)3-9;;;;;/h4-13H,2-3H2,1H3;3*1H2;;/q;;;;;+3/p-3/rC7H17NO5.H3O4Sb/c1-8-2-4(10)6(12)7(13)5(11)3-9;1-5(2,3)4/h4-13H,2-3H2,1H3;(H3,1,2,3,4)


name: 6-methyl-3-nitrobenzoxamercurete
cas: 133-58-4
formula: C7H5HgNO3
inchikey: UEHLXXJAWYWUGI-UHFFFAOYSA-M
norman_susdat_id: NS00079340
smiles: Cc1ccc(c2[Hg]Oc12)[N+](=O)[O-]
inchi:
InChI=1/C7H6NO3.Hg/c1-5-2-3-6(8(10)11)4-7(5)9;/h2-3,9H,1H3;/q;+1/p-1/rC7H5HgNO3/c1-4-2-3-5(9(10)11)6-7(4)12-8-6/h2-3H,1H3


name: Disodium 6-(acetylamino)-3-[[4-(aminosulphonyl)phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate
cas: 133-60-8
formula: C18H16N4O10S3
inchikey: YAZZWQFMIGUHKS-UHFFFAOYSA-L
norman_susdat_id: NS00041391
pubchem_cid: 8625
smiles: [Na+].[Na+].O=C(NC1=CC2=C(C=C(C(N=NC3=CC=C(C=C3)S(=O)(=O)N)=C2O)S(=O)(=O)[O-])C=C1S(=O)(=O)[O-])C
inchi:
InChI=1/C18H16N4O10S3.2Na/c1-9(23)20-14-8-13-10(6-15(14)34(27,28)29)7-16(35(30,31)32)17(18(13)24)22-21-11-2-4-12(5-3-11)33(19,25)26;;/h2-8,24H,1H3,(H,20,23)(H2,19,25,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2


name: 2,2'-Methylenebis(6-tert-butylphenol)
cas: 133-63-1
chemspiderid: 60582
dtxsid: DTXSID30157899
formula: C21H28O2
inchikey: PHAZIZJZLYBIIT-UHFFFAOYSA-N
norman_susdat_id: NS00024301
pubchem_cid: 67247
smiles: CC(C)(C)c1cccc(Cc2cccc(c2O)C(C)(C)C)c1O
inchi:
InChI=1S/C21H28O2/c1-20(2,3)16-11-7-9-14(18(16)22)13-15-10-8-12-17(19(15)23)21(4,5)6/h7-12,22-23H,13H2,1-6H3


name: Solasulfone
cas: 133-65-3
dtxsid: DTXSID50927894
formula: C30H32N2O14S5
inchikey: WAGUNVVOQBKLDL-UHFFFAOYSA-J
norman_susdat_id: NS00041592
pubchem_cid: 8627
inchi:
InChI=1/C30H32N2O14S5.4Na/c33-47(34,25-15-11-23(12-16-25)31-29(50(41,42)43)19-27(48(35,36)37)21-7-3-1-4-8-21)26-17-13-24(14-18-26)32-30(51(44,45)46)20-28(49(38,39)40)22-9-5-2-6-10-22;;;;/h1-18,27-32H,19-20H2,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C(NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)NC(CC(C=3C=CC=CC3)S(=O)(=O)[O-])S(=O)(=O)[O-])CC(C=4C=CC=CC4)S(=O)(=O)[O-]


name: 4,4'-Bis(2,4-dianilino-1,3,5-triazin-6-ylamino)-2,2'-stilbene disulfonic acid disodium salt
cas: 133-66-4
chemspiderid: 4678422
dtxsid: DTXSID90889422
formula: C44H36N12O6S2
inchikey: HRHCYUBSBRXMIN-QURGRASLSA-N
norman_susdat_id: NS00004539
pubchem_cid: 5749279
inchi:
InChI=1S/C44H36N12O6S2/c57-63(58,59)37-27-35(49-43-53-39(45-31-13-5-1-6-14-31)51-40(54-43)46-32-15-7-2-8-16-32)25-23-29(37)21-22-30-24-26-36(28-38(30)64(60,61)62)50-44-55-41(47-33-17-9-3-10-18-33)52-42(56-44)48-34-19-11-4-12-20-34/h1-28H,(H,57,58,59)(H,60,61,62)(H3,45,46,49,51,53,54)(H3,47,48,50,52,55,56)/b22-21+

smiles:
OS(=O)(=O)c1cc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)ccc1C=Cc1ccc(Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1S(O)(=O)=O


name: Trichlormethiazide
cas: 133-67-5
chebiid: CHEBI:9683
chemspiderid: 5359
dtxsid: DTXSID7023699
formula: C8H8Cl3N3O4S2
inchikey: LMJSLTNSBFUCMU-UHFFFAOYSA-N
norman_susdat_id: NS00009500
pubchem_cid: 5560
smiles: NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C(Cl)Cl)cc1Cl
inchi:
InChI=1S/C8H8Cl3N3O4S2/c9-3-1-4-6(2-5(3)19(12,15)16)20(17,18)14-8(13-4)7(10)11/h1-2,7-8,13-14H,(H2,12,15,16)


name: Uridine 5'-(trihydrogen diphosphate), mono-a-d-glucopyranosyl ester
cas: 133-89-1
dtxsid: DTXSID00157902
formula: C11H22O15P2
inchikey: VEQZSYWIHMZZQK-UHFFFAOYSA-N
norman_susdat_id: NS00041593
pubchem_cid: NA
smiles: O=P(O)(OCC1OCC(O)C1O)OP(=O)(O)OCC2OC(O)C(O)C(O)C2O
inchi:
InChI=1/C11H22O15P2/c12-4-1-22-5(7(4)13)2-23-27(18,19)26-28(20,21)24-3-6-8(14)9(15)10(16)11(17)25-6/h4-17H,1-3H2,(H,18,19)(H,20,21)


name: Maltose
cas: 133-99-3
chebiid: CHEBI:18147
dtxsid: DTXSID1023233
formula: C12H22O11
inchikey: GUBGYTABKSRVRQ-QUYVBRFLSA-N
norman_susdat_id: NS00069769
pubchem_cid: 6255
smiles: OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12-/m1/s1


name: Direct Blue 86
cas: 1330-38-7
chemspiderid: 31043655
dtxsid: DTXSID3051674
formula: C32H18N8O6S2
inchikey: ZPIWVNRFAKJECU-UHFFFAOYNA-L
norman_susdat_id: NS00019407
pubchem_cid: NA
inchi:
InChI=1S/C32H18N8O6S2/c41-47(42,43)15-9-11-21-23(13-15)32-38-28-20-8-4-2-6-18(20)26(34-28)36-30-22-12-10-16(48(44,45)46)14-24(22)31(40-30)37-27-19-7-3-1-5-17(19)25(33-27)35-29(21)39-32/h1-14H,(H,41,42,43)(H,44,45,46)(H2,33,34,35,36,37,38,39,40)

smiles:
[Na+].[Na+].[Cu++].[O-]S(=O)(=O)c1cc2c(cc1)C1=Nc3c4ccccc4c([n-]3)N=C3N=C(N=c4[n-]c(=NC2=N1)c1ccccc41)c1c3cc(cc1)S(=O)(=O)[O-]


name: Dodecylbenzenesulphonate
cas: 1330-69-4
formula: C18H29O3S
inchikey: WBIQQQGBSDOWNP-UHFFFAOYSA-M
norman_susdat_id: NS00100162
smiles: CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-]
inchi:
InChI=1/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)/p-1


name: Diisooctyl fumarate
cas: 1330-75-2
formula: C20H36O4
inchikey: QIGLLCHDIZAZFE-UHFFFAOYSA-N
norman_susdat_id: NS00081068
smiles: CC(C)CCCCCOC(=O)C=CC(=O)OCCCCCC(C)C
inchi:
InChI=1/C20H36O4/c1-17(2)11-7-5-9-15-23-19(21)13-14-20(22)24-16-10-6-8-12-18(3)4/h13-14,17-18H,5-12,15-16H2,1-4H3


name: Diisooctyl maleate
cas: 1330-76-3
chemspiderid: 21171835
dtxsid: DTXSID8051675
formula: C20H36O4
inchikey: QIGLLCHDIZAZFE-YPKPFQOOSA-N
norman_susdat_id: NS00024260
pubchem_cid: 5370584
smiles: CC(C)CCCCCOC(=O)C=CC(=O)OCCCCCC(C)C
inchi:
InChI=1S/C20H36O4/c1-17(2)11-7-5-9-15-23-19(21)13-14-20(22)24-16-10-6-8-12-18(3)4/h13-14,17-18H,5-12,15-16H2,1-4H3/b14-13-


name: Tris(methylphenyl) phosphate (TMPP - isomeres)
cas: 1330-78-5
chemspiderid: 6281
dtxsid: DTXSID4021391
formula: C21H21O4P
norman_susdat_id: NS00099448
pubchem_cid: 6529
smiles: Cc1ccc(cc1)OP(=O)(Oc2ccc(cc2)C)Oc3ccc(cc3)C
inchi:
InChI=1S/C21H21O4P/c1-16-4-10-19(11-5-16)23-26(22,24-20-12-6-17(2)7-13-20)25-21-14-8-18(3)9-15-21/h4-15H,1-3H3


name: 9-Octadecenoic acid (9Z)-, monoester with 1,2-propanediol
cas: 1330-80-9
chemspiderid: 4938442
dtxsid: DTXSID3051676
formula: C21H40O3
inchikey: ZVTDEEBSWIQAFJ-ZHACJKMWSA-N
norman_susdat_id: NS00014021
pubchem_cid: 6433267
smiles: CCCCCCCC/C=C/CCCCCCCC(=O)OCC(C)O
inchi:
InChI=1S/C21H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-19-20(2)22/h10-11,20,22H,3-9,12-19H2,1-2H3/b11-10+


name: (dodecylbenzyl)trimethylammonium chloride
cas: 1330-85-4
dtxsid: DTXSID1034559
formula: C22H40N
inchikey: WHBLVGVHEZCUQM-UHFFFAOYSA-M
norman_susdat_id: NS00044031
pubchem_cid: 21115983
smiles: [Cl-].C=1C=CC(=C(C1)CCCCCCCCCCCC)C[N+](C)(C)C
inchi:
InChI=1/C22H40N.ClH/c1-5-6-7-8-9-10-11-12-13-14-17-21-18-15-16-19-22(21)20-23(2,3)4;/h15-16,18-19H,5-14,17,20H2,1-4H3;1H/q+1;/p-1


name: Diisooctyl adipate
cas: 1330-86-5
chemspiderid: 60293
dtxsid: DTXSID7027388
formula: C22H42O4
inchikey: CJFLBOQMPJCWLR-UHFFFAOYSA-N
norman_susdat_id: NS00001468
pubchem_cid: 66932
smiles: CC(C)CCCCCOC(=O)CCCCC(=O)OCCCCCC(C)C
inchi:
InChI=1S/C22H42O4/c1-19(2)13-7-5-11-17-25-21(23)15-9-10-16-22(24)26-18-12-6-8-14-20(3)4/h19-20H,5-18H2,1-4H3


name: 1,2-Benzenedicarboxylic acid, isodecyl octyl ester
cas: 1330-96-7
chemspiderid: 14202
dtxsid: DTXSID9061675
formula: C26H42O4
inchikey: UXLBXTIBYMXRNX-UHFFFAOYSA-N
norman_susdat_id: NS00024263
pubchem_cid: 14902
smiles: CCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCC(C)C
inchi:
InChI=1S/C26H42O4/c1-4-5-6-7-10-15-20-29-25(27)23-18-13-14-19-24(23)26(28)30-21-16-11-8-9-12-17-22(2)3/h13-14,18-19,22H,4-12,15-17,20-21H2,1-3H3


name: 2,7-Naphthalenedisulfonic acid, 5-amino-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]-
cas: 13301-33-2
chemspiderid: 7850430
dtxsid: DTXSID8065406
formula: C16H12N4O10S2
inchikey: UNJCYXUDAPTLRZ-CYVLTUHYSA-N
norman_susdat_id: NS00008844
pubchem_cid: 9575979
smiles: Nc1cc(cc2C=C(C(=NNc3cc(ccc3O)[N+]([O-])=O)C(=O)c12)S(O)(=O)=O)S(O)(=O)=O
inchi:
InChI=1S/C16H12N4O10S2/c17-10-6-9(31(25,26)27)3-7-4-13(32(28,29)30)15(16(22)14(7)10)19-18-11-5-8(20(23)24)1-2-12(11)21/h1-6,18,21H,17H2,(H,25,26,27)(H,28,29,30)/b19-15-


name: Acetamide, N-[2-[[2-chloro-4-(methylsulfonyl)phenyl]azo]-5-(diethylamino)phenyl]-
cas: 13301-60-5
chemspiderid: 75181
dtxsid: DTXSID3065407
formula: C19H23Cl1N4O3S1
inchikey: NOSYDKSCDZTOKC-UHFFFAOYSA-N
norman_susdat_id: NS00020997
pubchem_cid: 83321
smiles: CCN(CC)c1cc(NC(=O)C)c(cc1)N=Nc1c(Cl)cc(cc1)S(=O)(=O)C
inchi:
InChI=1S/C19H23ClN4O3S/c1-5-24(6-2)14-7-9-18(19(11-14)21-13(3)25)23-22-17-10-8-15(12-16(17)20)28(4,26)27/h7-12H,5-6H2,1-4H3,(H,21,25)/b23-22-


name: C.I. Disperse Orange 37
cas: 13301-61-6
chemspiderid: 75182
dtxsid: DTXSID9044538
formula: C17H15Cl2N5O2
inchikey: KHZRTXVUEZJYNE-UHFFFAOYSA-N
norman_susdat_id: NS00003522
pubchem_cid: 83322
smiles: CCN(CCC#N)c1ccc(cc1)N=Nc1c(Cl)cc(cc1Cl)N(=O)=O
inchi:
InChI=1S/C17H15Cl2N5O2/c1-2-23(9-3-8-20)13-6-4-12(5-7-13)21-22-17-15(18)10-14(24(25)26)11-16(17)19/h4-7,10-11H,2-3,9H2,1H3


name: (2-ethylhexanoato)phenylmercury
cas: 13302-00-6
dtxsid: DTXSID30894919
formula: C14H20HgO2
inchikey: XVASSELVJHUACE-UHFFFAOYSA-M
norman_susdat_id: NS00113270
smiles: CCCCC(CC)C(=O)O[Hg]C1=CC=CC=C1
inchi:
InChI=1/C8H16O2.C6H5.Hg/c1-3-5-6-7(4-2)8(9)10;1-2-4-6-5-3-1;/h7H,3-6H2,1-2H3,(H,9,10);1-5H;/q;;+1/p-1


name: Eprosartan
cas: 133040-01-4
chebiid: CHEBI:4814
chemspiderid: 4444504
dtxsid: DTXSID0022989
formula: C23H24N2O4S1
inchikey: OROAFUQRIXKEMV-LDADJPATSA-N
norman_susdat_id: NS00000388
pubchem_cid: 5281037
smiles: CCCCC1=NC=C(N1CC2=CC=C(C=C2)C(=O)O)/C=C(CC3=CC=CS3)/C(=O)O
inchi:
InChI=1S/C23H24N2O4S/c1-2-3-6-21-24-14-19(12-18(23(28)29)13-20-5-4-11-30-20)25(21)15-16-7-9-17(10-8-16)22(26)27/h4-5,7-12,14H,2-3,6,13,15H2,1H3,(H,26,27)(H,28,29)/b18-12+


name: 3,10-bis[(2-aminopropyl)amino]-6,13-dichloro[1,4]benzoxazino[2,3-b]phenoxazine-4,11-disulfonic acid
cas: 133047-57-1
chemspiderid: 29271906
formula: C24H24Cl2N6O8S2
inchikey: IOWOWOYFHYRNMX-UHFFFAOYSA-N
norman_susdat_id: NS00004850
pubchem_cid: 59522994
smiles: CC(N)CNc1ccc2N=c3c(Cl)c4Oc5c(ccc(NCC(C)N)c5S(O)(=O)=O)N=c4c(Cl)c3Oc2c1S(O)(=O)=O
inchi:
InChI=1S/C24H24Cl2N6O8S2/c1-9(27)7-29-13-5-3-11-19(23(13)41(33,34)35)39-21-15(25)18-22(16(26)17(21)31-11)40-20-12(32-18)4-6-14(30-8-10(2)28)24(20)42(36,37)38/h3-6,9-10,29-30H,7-8,27-28H2,1-2H3,(H,33,34,35)(H,36,37,38)


cas: 13305-94-7
dtxsid: DTXSID90889604
formula: C23H18ClN9O10S3
inchikey: AAMYCVULITZDFH-UHFFFAOYSA-K
norman_susdat_id: NS00051454
pubchem_cid: 166791
name:
Trisodium 3-[4-[[5-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]naphthalene-1,5-disulphonate

inchi:
InChI=1/C23H18ClN9O10S3.3Na/c1-10-19(31-30-15-7-11(5-6-17(15)45(38,39)40)26-23-28-21(24)27-22(25)29-23)20(34)33(32-10)12-8-14-13(18(9-12)46(41,42)43)3-2-4-16(14)44(35,36)37;;;/h2-9,19H,1H3,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H3,25,26,27,28,29);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C1N(N=C(C)C1N=NC2=CC(=CC=C2S(=O)(=O)[O-])NC=3N=C(Cl)N=C(N3)N)C=4C=C5C(C=CC=C5S(=O)(=O)[O-])=C(C4)S(=O)(=O)[O-]


name: FR130739
cas: 133052-30-9
chemspiderid: 7977389
formula: C24H23N7
inchikey: YILJWHUIUCRKEU-UHFFFAOYSA-N
norman_susdat_id: NS00015726
pubchem_cid: 9801627
smiles: CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)N=CC=C2
inchi:
InChI=1S/C24H23N7/c1-2-3-10-22-26-21-9-6-15-25-24(21)31(22)16-17-11-13-18(14-12-17)19-7-4-5-8-20(19)23-27-29-30-28-23/h4-9,11-15H,2-3,10,16H2,1H3,(H,27,28,29,30)


name: Bisindolylmaleimide
cas: 133052-90-1
dtxsid: DTXSID50157932
formula: C25H24N4O2
inchikey: QMGUOJYZJKLOLH-UHFFFAOYSA-N
norman_susdat_id: NS00068321
pubchem_cid: 2396
smiles: CN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21
inchi:
InChI=1S/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)


name: Cyanidin
cas: 13306-05-3
chebiid: CHEBI:27843
chemspiderid: 114193
dtxsid: DTXSID10157933
formula: C15H11O6
inchikey: VEVZSMAEJFVWIL-UHFFFAOYSA-O
norman_susdat_id: NS00002029
pubchem_cid: 128861
smiles: Oc1cc(O)c2cc(O)c([o+]c2c1)-c1ccc(O)c(O)c1
inchi:
InChI=1S/C15H10O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-6H,(H4-,16,17,18,19,20)/p+1


name: Oleic acid, chromium salt
cas: 13308-40-2
formula: C18H34O2.xCr
inchikey: GWQZTVRHVPUAQM-KVVVOXFISA-M
norman_susdat_id: NS00084840
smiles: [Cr+2].CCCCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H34O2.Cr/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+2/p-1


name: Manidipine
cas: 133082-19-6
dtxsid: DTXSID00545486
formula: C35H38N4O6
inchikey: ANEBWFXPVPTEET-JGCGQSQUSA-N
norman_susdat_id: NS00098850
pubchem_cid: 13632719
smiles: COC(=O)C1=C(C)NC(C)=C(C(=O)OCCN2CCN(C(c3ccccc3)c3ccccc3)CC2)[C@@H]1c1cccc([N+](=O)[O-])c1
inchi:
InChI=1S/C35H38N4O6/c1-24-30(34(40)44-3)32(28-15-10-16-29(23-28)39(42)43)31(25(2)36-24)35(41)45-22-21-37-17-19-38(20-18-37)33(26-11-6-4-7-12-26)27-13-8-5-9-14-27/h4-16,23,32-33,36H,17-22H2,1-3H3/t32-/m1/s1


name: Darifenacin
cas: 133099-04-4
chebiid: CHEBI:391960
chemspiderid: 392054
dtxsid: DTXSID2048290
formula: C28H30N2O2
inchikey: HXGBXQDTNZMWGS-RUZDIDTESA-N
norman_susdat_id: NS00007299
pubchem_cid: 444031
smiles: NC(=O)C([C@@H]1CCN(CCc2ccc3OCCc3c2)C1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1


name: Ammonium dodecylbenzenesulphonate
cas: 1331-61-9
formula: C18H30O3S.H3N
inchikey: ZLWPAELISNYYGM-UHFFFAOYSA-N
norman_susdat_id: NS00081069
smiles: [NH4+].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-]
inchi:
InChI=1/C18H30O3S.H3N/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);1H3


name: Calcium (1S)-[7,7-dimethyl-2-oxobicyclo[2.2.1]hept-1-yl]methanesulphonate
cas: 1331-87-9
formula: C10H16O4S.1/2Ca
inchikey: LWHOBNQPGHHZQX-UHFFFAOYSA-L
norman_susdat_id: NS00081366
smiles: [Ca+2].CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2.CC3(C)C4CCC3(CS(=O)(=O)[O-])C(=O)C4
inchi:
InChI=1/2C10H16O4S.Ca/c2*1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;/h2*7H,3-6H2,1-2H3,(H,12,13,14);/q;;+2/p-2


name: Triethylhexadecylammonium bromide
cas: 13316-70-6
formula: C22H48N.Br
inchikey: HNJXPTMEWIVQQM-UHFFFAOYSA-M
norman_susdat_id: NS00084842
smiles: [Br-].CCCCCCCCCCCCCCCC[N+](CC)(CC)CC
inchi:
InChI=1/C22H48N.BrH/c1-5-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(6-2,7-3)8-4;/h5-22H2,1-4H3;1H/q+1;/p-1


name: Bis(2-ethylhexyl) [R(R*,R*)]-tartrate
cas: 13318-07-5
dtxsid: DTXSID50927990
formula: C20H38O6
inchikey: UQKDJFLNVHKDRR-UHFFFAOYSA-N
norman_susdat_id: NS00051511
pubchem_cid: 114495
smiles: O=C(OCC(CC)CCCC)C(O)C(O)C(=O)OCC(CC)CCCC
inchi:
InChI=1/C20H38O6/c1-5-9-11-15(7-3)13-25-19(23)17(21)18(22)20(24)26-14-16(8-4)12-10-6-2/h15-18,21-22H,5-14H2,1-4H3


name: Hexahydro-1,3,5-tris[3-(oxiranylmethoxy)-1-oxopropyl]-1,3,5-triazine
cas: 13318-19-9
dtxsid: DTXSID70927992
formula: C21H33N3O9
inchikey: HIILPLVHMVHXHX-UHFFFAOYSA-N
norman_susdat_id: NS00051074
pubchem_cid: 114497
smiles: O=C(N1CN(C(=O)CCOCC2OC2)CN(C(=O)CCOCC3OC3)C1)CCOCC4OC4
inchi:
InChI=1/C21H33N3O9/c25-19(1-4-28-7-16-10-31-16)22-13-23(20(26)2-5-29-8-17-11-32-17)15-24(14-22)21(27)3-6-30-9-18-12-33-18/h16-18H,1-15H2


cas: 1331869-23-8
dtxsid: DTXSID90882630
norman_susdat_id: NS00111997
name:
2-Propenoic acid, 2-chloro-, 3,3,4,4,5,5,6,6,6-nonafluorohexyl ester, telomer with chloroethene, 3-chloro-2-hydroxypropyl 2-methyl-2-propenoate, 1-dodecanethiol, N-(hydroxymethyl)-2-propenamide and octadecyl 2-propenoate


name: (isopropylidene)bis(p-phenyleneoxyethylene) bis(ß-methylaziridine-1-propionate)
cas: 13320-31-5
dtxsid: DTXSID90927999
formula: C31H42N2O6
inchikey: JEBTVWVLWHTMOZ-UHFFFAOYSA-N
norman_susdat_id: NS00051075
pubchem_cid: 114498
smiles: O=C(OCCOC1=CC=C(C=C1)C(C2=CC=C(OCCOC(=O)CC(N3CC3)C)C=C2)(C)C)CC(N4CC4)C
inchi:
InChI=1/C31H42N2O6/c1-23(32-13-14-32)21-29(34)38-19-17-36-27-9-5-25(6-10-27)31(3,4)26-7-11-28(12-8-26)37-18-20-39-30(35)22-24(2)33-15-16-33/h5-12,23-24H,13-22H2,1-4H3


name: [(isopropylidene)bis(p-phenyleneoxy)]diethylene bis(a-methylaziridine-1-acetate)
cas: 13320-32-6
formula: C29H38N2O6
inchikey: YOMQHZDPKXPRAV-UHFFFAOYSA-L
norman_susdat_id: NS00084823
smiles: CC(N1CC1)C(=O)[O-].CC(N2CC2)C(=O)[O-].CC(C)(c3ccc(OC=C)cc3)c4ccc(OC=C)cc4
inchi:
InChI=1/C19H20O2.2C5H9NO2/c1-5-20-17-11-7-15(8-12-17)19(3,4)16-9-13-18(14-10-16)21-6-2;2*1-4(5(7)8)6-2-3-6/h5-14H,1-2H2,3-4H3;2*4H,2-3H2,1H3,(H,7,8)/p-2


name: (isopropylidene)bis(p-phenyleneoxyethylene) bis(a-ethylaziridine-1-acetate)
cas: 13320-34-8
dtxsid: DTXSID30928001
formula: C31H42N2O6
inchikey: ZFUFVBRQJLAZNT-UHFFFAOYSA-N
norman_susdat_id: NS00051478
pubchem_cid: 114500
smiles: O=C(OCCOC1=CC=C(C=C1)C(C2=CC=C(OCCOC(=O)C(N3CC3)CC)C=C2)(C)C)C(N4CC4)CC
inchi:
InChI=1/C31H42N2O6/c1-5-27(32-15-16-32)29(34)38-21-19-36-25-11-7-23(8-12-25)31(3,4)24-9-13-26(14-10-24)37-20-22-39-30(35)28(6-2)33-17-18-33/h7-14,27-28H,5-6,15-22H2,1-4H3


name: Chloroethylisobutylaluminium
cas: 13320-53-1
formula: C6H14AlCl
inchikey: MDUJPDJIABVTQO-UHFFFAOYSA-M
norman_susdat_id: NS00085583
smiles: CC[Al](Cl)CC(C)C
inchi:
InChI=1/C4H9.C2H5.Al.ClH/c1-4(2)3;1-2;;/h4H,1H2,2-3H3;1H2,2H3;;1H/q;;+1;/p-1/rC6H14AlCl/c1-4-7(8)5-6(2)3/h6H,4-5H2,1-3H3


name: Indanofan
cas: 133220-30-1
chebiid: CHEBI:81769
chemspiderid: 9221265
dtxsid: DTXSID1057957
formula: C20H17Cl1O3
inchikey: PMAAYIYCDXGUAP-UHFFFAOYNA-N
norman_susdat_id: NS00021606
pubchem_cid: NA
smiles: CCC1(CC2(CO2)c2cc(Cl)ccc2)C(=O)c2ccccc2C1=O
inchi:
InChI=1S/C20H17ClO3/c1-2-19(17(22)15-8-3-4-9-16(15)18(19)23)11-20(12-24-20)13-6-5-7-14(21)10-13/h3-10H,2,11-12H2,1H3/t20-/m1/s1


name: epoxynobilin
cas: 13323-48-3
chemspiderid: 28532736
dtxsid: DTXSID10433966
formula: C20H26O6
inchikey: DZTWAOVNNLDWNH-AUWKULLQSA-N
norman_susdat_id: NS00094641
pubchem_cid: 70697714
smiles: CC=C(C)C(=O)O[C@@H]1C[C@@]2(C)O[C@@H]2C[C@H](O)C(C)=C/[C@H]2OC(=O)C(=C)[C@H]12
inchi:
InChI=1S/C20H26O6/c1-6-10(2)18(22)25-15-9-20(5)16(26-20)8-13(21)11(3)7-14-17(15)12(4)19(23)24-14/h6-7,13-17,21H,4,8-9H2,1-3,5H3/b10-6-,11-7-/t13-,14+,15+,16+,17-,20+/m0/s1


name: 9-Octadecenoic acid (9Z)-, 1,1'-(dibutylstannylene) ester
cas: 13323-62-1
dtxsid: DTXSID3051678
formula: C44H84O4Sn
inchikey: AWFFJJAOMMAGFE-BGSQTJHASA-L
norman_susdat_id: NS00075787
smiles: CCCCCCCCC=C/CCCCCCCC(=O)O[Sn](CCCC)(CCCC)OC(=O)CCCCCCCC=C/CCCCCCCC
inchi:
InChI=1S/2C18H34O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3-4-2;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);2*1,3-4H2,2H3;/q;;;;+2/p-2/b2*10-9-;;;


name: Dibutylbis(palmitoyloxy)stannane
cas: 13323-63-2
dtxsid: DTXSID80158013
formula: C40H80O4Sn
inchikey: HRIMTTNYSCTIDV-UHFFFAOYSA-L
norman_susdat_id: NS00051479
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)CCCCCCCCCCCCCCC)(CCCC)CCCC)CCCCCCCCCCCCCCC
inchi:
InChI=1/2C16H32O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;2*1-3-4-2;/h2*2-15H2,1H3,(H,17,18);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC40H80O4Sn/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-35-39(41)43-45(37-11-7-3,38-12-8-4)44-40(42)36-34-32-30-28-26-24-22-20-18-16-14-10-6-2/h5-38H2,1-4H3


cas: 13324-20-4
formula: C23H14Cl2N6O8S2
inchikey: RTLULCVBFCRQKI-UHFFFAOYSA-N
norman_susdat_id: NS00084878
smiles: Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(c(Nc5nc(Cl)nc(Cl)n5)c4)S(=O)(=O)O)cc1S(=O)(=O)O
name:
1-amino-4-(2'-(4',6'-dichloro-s-triazin-2-yl)amino)phenylamino)9,10-dihydro-9,10-dioxoanthracene-2,4'-disulphonic acid

inchi:
InChI=1/C23H14Cl2N6O8S2/c24-21-29-22(25)31-23(30-21)28-12-7-9(5-6-14(12)40(34,35)36)27-13-8-15(41(37,38)39)18(26)17-16(13)19(32)10-3-1-2-4-11(10)20(17)33/h1-8,27H,26H2,(H,34,35,36)(H,37,38,39)(H,28,29,30,31)


name: 9,10-Anthracenedione, 1,5-bis(dimethylamino)-4,8-dihydroxy-
cas: 13324-23-7
chemspiderid: 75203
dtxsid: DTXSID7065413
formula: C18H18N2O4
inchikey: QWNYSSXILSEIKT-UHFFFAOYSA-N
norman_susdat_id: NS00024271
pubchem_cid: 83344
smiles: CN(C)c1c2C(=O)c3c(O)ccc(N(C)C)c3C(=O)c2c(O)cc1
inchi:
InChI=1S/C18H18N2O4/c1-19(2)9-5-7-11(21)15-13(9)17(23)16-12(22)8-6-10(20(3)4)14(16)18(15)24/h5-8,21-22H,1-4H3


name: Landiolol
cas: 133242-30-5
chebiid: CHEBI:135809
dtxsid: DTXSID10158026
formula: C25H39N3O8
inchikey: WMDSZGFJQKSLLH-RBBKRZOGSA-N
norman_susdat_id: NS00069591
pubchem_cid: 114905
smiles: CC1(C)OC[C@@H](COC(=O)CCc2ccc(OC[C@@H](O)CNCCNC(=O)N3CCOCC3)cc2)O1
inchi:
InChI=1S/C25H39N3O8/c1-25(2)35-18-22(36-25)17-34-23(30)8-5-19-3-6-21(7-4-19)33-16-20(29)15-26-9-10-27-24(31)28-11-13-32-14-12-28/h3-4,6-7,20,22,26,29H,5,8-18H2,1-2H3,(H,27,31)/t20-,22+/m0/s1


name: 5-(anthraquinon-1-ylazo)barbituric acid
cas: 13325-57-0
formula: C18H10N4O5
inchikey: MBOXEZSDSMZDMX-UHFFFAOYSA-N
norman_susdat_id: NS00052309
pubchem_cid: 83345
smiles: O=C1NC(=O)C(N=NC2=CC=CC=3C(=O)C=4C=CC=CC4C(=O)C23)C(=O)N1
inchi:
InChI=1/C18H10N4O5/c23-14-8-4-1-2-5-9(8)15(24)12-10(14)6-3-7-11(12)21-22-13-16(25)19-18(27)20-17(13)26/h1-7,13H,(H2,19,20,25,26,27)


name: 18-Hete
cas: 133268-58-3
chebiid: CHEBI:63579
chemspiderid: 4946840
dtxsid: DTXSID30424154
formula: C20H32O3
inchikey: PPCHNRUZQWLEMF-XBOCNYGYSA-N
norman_susdat_id: NS00017057
pubchem_cid: 6442778
smiles: CCC(CCC=CCC=CCC=CCC=CCCCC(=O)O)O
inchi:
InChI=1S/C20H32O3/c1-2-19(21)17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-20(22)23/h4-7,10-13,19,21H,2-3,8-9,14-18H2,1H3,(H,22,23)/b6-4-,7-5-,12-10-,13-11-


name: 1-Piperidineacetamide, N-(2,6-dimethylphenyl)-
cas: 13327-12-3
dtxsid: DTXSID40275598
formula: C15H22N2O
inchikey: OVECJQXXUIVZBI-UHFFFAOYSA-N
norman_susdat_id: NS00067981
smiles: CC1=CC=CC(C)=C1NC(=O)CN1CCCCC1
inchi:
InChI=1S/C15H22N2O/c1-12-7-6-8-13(2)15(12)16-14(18)11-17-9-4-3-5-10-17/h6-8H,3-5,9-11H2,1-2H3,(H,16,18)


name: Aluminium(3+) 12-hydroxyoctadecanoate
cas: 13329-66-3
formula: C18H36O3.1/3Al
inchikey: ROADCTMRUVIXLV-UHFFFAOYSA-K
norman_susdat_id: NS00084824
smiles: [Al+3].CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCC(O)CCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/3C18H36O3.Al/c3*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h3*17,19H,2-16H2,1H3,(H,20,21);/q;;;+3/p-3


name: Sodium 12-hydroxyoctadecanoate
cas: 13329-67-4
formula: C18H36O3.Na
inchikey: NTVDGBKMGBRCKB-UHFFFAOYSA-M
norman_susdat_id: NS00085584
smiles: [Na+].CCCCCCC(O)CCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H36O3.Na/c1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);/q;+1/p-1


cas: 133299-41-9
dtxsid: DTXSID60895474
formula: C20H8F34
inchikey: YUKPQRHDYICGSY-UHFFFAOYSA-N
norman_susdat_id: NS00111046
name:
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,20-Tetratriacontafluoroicosane

inchi:
InChI=1S/C20H8F34/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)3-1-2-4-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54/h1-4H2

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Tris(dinonylphenyl) phosphite
cas: 1333-21-7
formula: C72H123O3P
inchikey: ISQOOBRCAAIWNQ-UHFFFAOYSA-N
norman_susdat_id: NS00044081
pubchem_cid: 22022740
inchi:
InChI=1/C72H123O3P/c1-7-13-19-25-31-37-43-52-64-55-49-61-70(67(64)58-46-40-34-28-22-16-10-4)73-76(74-71-62-50-56-65(53-44-38-32-26-20-14-8-2)68(71)59-47-41-35-29-23-17-11-5)75-72-63-51-57-66(54-45-39-33-27-21-15-9-3)69(72)60-48-42-36-30-24-18-12-6/h49-51,55-57,61-63H,7-48,52-54,58-60H2,1-6H3

smiles:
O(C1=CC=CC(=C1CCCCCCCCC)CCCCCCCCC)P(OC2=CC=CC(=C2CCCCCCCCC)CCCCCCCCC)OC3=CC=CC(=C3CCCCCCCCC)CCCCCCCCC


name: Lithium hydroxyoctadecanoate
cas: 1333-61-5
formula: C18H36O3.Li
inchikey: LPRVNTWNHMSTPR-UHFFFAOYSA-M
norman_susdat_id: NS00081408
smiles: [Li+].CCCCCCCCCCCCCCCCC(O)C(=O)[O-]
inchi:
InChI=1/C18H36O3.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(19)18(20)21;/h17,19H,2-16H2,1H3,(H,20,21);/q;+1/p-1


name: D-glucitol monopalmitate
cas: 1333-66-0
dtxsid: DTXSID10928049
formula: C22H44O7
inchikey: OZVSZAQHQAHZNC-NPDDRXJXSA-N
norman_susdat_id: NS00044748
pubchem_cid: 23617477
smiles: O=C(OCC(O)C(O)C(O)C(O)CO)CCCCCCCCCCCCCCC
inchi:
InChI=1/C22H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(26)29-17-19(25)22(28)21(27)18(24)16-23/h18-19,21-25,27-28H,2-17H2,1H3


name: D-Glucitol, mono-9-octadecenoate, (Z)-
cas: 1333-68-2
chemspiderid: 4940956
dtxsid: DTXSID6049567
formula: C24H46O7
inchikey: WERKSKAQRVDLDW-AAZCQSIUSA-N
norman_susdat_id: NS00020145
pubchem_cid: 45268273
smiles: CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
inchi:
InChI=1S/C24H46O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(28)31-19-21(27)24(30)23(29)20(26)18-25/h9-10,20-21,23-27,29-30H,2-8,11-19H2,1H3/b10-9-/t20-,21+,23-,24-/m1/s1


name: D-glucitol trioleate
cas: 1333-71-7
formula: C60H110O9
inchikey: AFUVUCFHJZERBF-PDKVEDEMSA-N
norman_susdat_id: NS00045301
pubchem_cid: NA
smiles: O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)C(OC(=O)CCCCCCCC=CCCCCCCCC)C(O)C(O)CO)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C60H110O9/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(63)67-53-55(68-57(64)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)60(59(66)54(62)52-61)69-58(65)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h25-30,54-55,59-62,66H,4-24,31-53H2,1-3H3


name: Eprinomectin B1a
cas: 133305-88-1
chemspiderid: 32697387
dtxsid: DTXSID0048977
formula: C50H75N1O14
inchikey: ZKWQQXZUCOBISE-CRTGXIDZSA-N
norman_susdat_id: NS00000129
pubchem_cid: 6444397
inchi:
InChI=1S/C50H75NO14/c1-12-26(2)45-29(5)18-19-49(65-45)24-36-21-35(64-49)17-16-28(4)44(27(3)14-13-15-34-25-58-47-43(53)30(6)20-37(48(54)61-36)50(34,47)55)62-41-23-39(57-11)46(32(8)60-41)63-40-22-38(56-10)42(31(7)59-40)51-33(9)52/h13-16,18-20,26-27,29,31-32,35-47,53,55H,12,17,21-25H2,1-11H3,(H,51,52)/b14-13+,28-16+,34-15+/t26-,27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43+,44-,45+,46-,47+,49+,50+/m0/s1

smiles:
CC[C@H](C)[C@@H]1[C@H](C=C[C@@]2(O1)C[C@@H]3C[C@H](O2)C/C=C(/[C@H]([C@H](/C=C/C=C/4CO[C@H]5[C@@]4([C@@H](C=C([C@H]5O)C)C(=O)O3)O)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O[C@H]7C[C@@H]([C@@H]([C@@H](O7)C)NC(=O)C)OC)OC)C)C


name: (acryloyloxy)tributylstannane
cas: 13331-52-7
dtxsid: DTXSID9044796
formula: C15H30O2Sn
inchikey: YSUXTNDMKYYZPR-UHFFFAOYSA-M
norman_susdat_id: NS00051078
pubchem_cid: NA
smiles: O=C(O[Sn](CCCC)(CCCC)CCCC)C=C
inchi:
InChI=1/3C4H9.C3H4O2.Sn/c3*1-3-4-2;1-2-3(4)5;/h3*1,3-4H2,2H3;2H,1H2,(H,4,5);/q;;;;+1/p-1/rC15H30O2Sn/c1-5-9-12-18(13-10-6-2,14-11-7-3)17-15(16)8-4/h8H,4-7,9-14H2,1-3H3


name: Lamotrigine 2-N-glucuronide
cas: 133310-19-7
chemspiderid: 144089
dtxsid: DTXSID80158073
formula: C15H16Cl2N5O6
inchikey: IEVMENHZPOWVGO-XPORZQOISA-O
norman_susdat_id: NS00008357
pubchem_cid: 164342
smiles: Nc1nc(N)[n+](nc1-c1cccc(Cl)c1Cl)[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
inchi:
InChI=1S/C15H15Cl2N5O6/c16-5-3-1-2-4(6(5)17)7-12(18)20-15(19)22(21-7)13-10(25)8(23)9(24)11(28-13)14(26)27/h1-3,8-11,13,23-25H,(H4,18,19,20,26,27)/p+1/t8-,9-,10+,11-,13+/m0/s1


name: 1,1,1,2,2,3,3,4,4-Nonafluorooctadecane
cas: 133310-68-6
dtxsid: DTXSID40895210
formula: C18H29F9
inchikey: AFRUDOKTWQGZAU-UHFFFAOYSA-N
norman_susdat_id: NS00110345
smiles: CCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C18H29F9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(19,20)16(21,22)17(23,24)18(25,26)27/h2-14H2,1H3


name: 1,1,1,2,2,3,3,4,4-Nonafluoroicosane
cas: 133310-69-7
dtxsid: DTXSID10895227
formula: C20H33F9
inchikey: JXIKOKQJJJIZMC-UHFFFAOYSA-N
norman_susdat_id: NS00109319
smiles: CCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C20H33F9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(21,22)18(23,24)19(25,26)20(27,28)29/h2-16H2,1H3


name: 1,1,1,2,2,3,3,4,4-Nonafluorodocosane
cas: 133310-70-0
dtxsid: DTXSID60895232
formula: C22H37F9
inchikey: OJIAEXACITVMDV-UHFFFAOYSA-N
norman_susdat_id: NS00111022
smiles: CCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C22H37F9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(23,24)20(25,26)21(27,28)22(29,30)31/h2-18H2,1H3


name: 1-(Perfluorohexyl)hexadecane
cas: 133310-71-1
chemspiderid: 22201610
dtxsid: DTXSID40674305
formula: C22H33F13
inchikey: ZKYMFADZZFTYJH-UHFFFAOYSA-N
norman_susdat_id: NS00011295
pubchem_cid: 46738426
smiles: CCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C22H33F13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(23,24)18(25,26)19(27,28)20(29,30)21(31,32)22(33,34)35/h2-16H2,1H3


name: 1-(Perfluoro-n-octyl)tetradecane
cas: 133310-72-2
dtxsid: DTXSID20402082
formula: C22H29F17
inchikey: IWIJPSWAAIRVQF-UHFFFAOYSA-N
norman_susdat_id: NS00109519
smiles: CCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C22H29F17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)21(35,36)22(37,38)39/h2-14H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorohexacosane
cas: 133310-73-3
dtxsid: DTXSID60881377
formula: C26H37F17
inchikey: QYCYRXLTCUNSSB-UHFFFAOYSA-N
norman_susdat_id: NS00110936
smiles: CCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C26H37F17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)26(41,42)43/h2-18H2,1H3


name: 1-(Perfluorohexyl)octane
cas: 133331-77-8
chemspiderid: 8653305
dtxsid: DTXSID20440585
formula: C14H17F13
inchikey: WRYIIOKOQSICTB-UHFFFAOYSA-N
norman_susdat_id: NS00011293
pubchem_cid: 10477896
smiles: FC(F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCC
inchi:
InChI=1S/C14H17F13/c1-2-3-4-5-6-7-8-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h2-8H2,1H3


name: Guanosine 5'-(disodium phosphate)
cas: 1333-47-9
formula: C10H14N5O8P.2Na
inchikey: PVBRXXAAPNGWGE-UHFFFAOYSA-L
norman_susdat_id: NS00080256
smiles: NC1=Nc2c(ncn2C3OC(COP(=O)(O[Na])O[Na])C(O)C3O)C(=O)N1
inchi:
InChI=1/C10H14N5O8P.2Na/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21;;/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18);;/q;2*+1/p-2/rC10H12N5Na2O8P/c11-10-13-7-4(8(20)14-10)12-2-15(7)9-6(19)5(18)3(23-9)1-22-26(21,24-16)25-17/h2-3,5-6,9,18-19H,1H2,(H3,11,13,14,20)


name: 10,10-Diethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
cas: 133377-48-7
dtxsid: DTXSID90895705
formula: C14H13F17O2
inchikey: IHGUGSBDMLHOJL-UHFFFAOYSA-N
norman_susdat_id: NS00112116
smiles: CCOC(CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC
inchi:
InChI=1S/C14H13F17O2/c1-3-32-6(33-4-2)5-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h6H,3-5H2,1-2H3


name: 1-[2,3,3,3-Tetrafluoro-2-(heptafluoropropoxy)-1-(piperidin-1-yl)propyl]-1H-benzotriazole
cas: 133384-08-4
dtxsid: DTXSID40896560
formula: C17H15F11N4O
inchikey: RWWWNJUOBCWSJO-UHFFFAOYSA-N
norman_susdat_id: NS00110465
smiles: FC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(N1CCCCC1)n1nnc2ccccc12
inchi:
InChI=1/C17H15F11N4O/c18-13(15(21,22)23,33-17(27,28)14(19,20)16(24,25)26)12(31-8-4-1-5-9-31)32-11-7-3-2-6-10(11)29-30-32/h2-3,6-7,12H,1,4-5,8-9H2


name: Methyl 3-(3-carbamimidoylphenyl)-2-[2-(4-methylbenzenesulfonamido)acetamido]propanoate
cas: 133397-81-6
dtxsid: DTXSID80158098
formula: C20H24N4O5S
inchikey: YAEIKQDHLCFGAA-KRWDZBQOSA-N
norman_susdat_id: NS00070574
pubchem_cid: 131624
smiles: COC(=O)[C@H](Cc1cccc(C(=N)N)c1)NC(=O)CNS(=O)(=O)c1ccc(C)cc1
inchi:
InChI=1S/C20H24N4O5S/c1-13-6-8-16(9-7-13)30(27,28)23-12-18(25)24-17(20(26)29-2)11-14-4-3-5-15(10-14)19(21)22/h3-10,17,23H,11-12H2,1-2H3,(H3,21,22)(H,24,25)/t17-/m0/s1


name: Choline methionine tartrate
cas: 1334-17-4
formula: -
inchikey: XAFWYCWEJZEEEW-UHFFFAOYSA-M
norman_susdat_id: NS00081124
smiles: CSCCC(N)C(=O)O.C[N+](C)(C)CCO.OC(C(O)C(=O)[O-])C(=O)O
inchi:
InChI=1/C5H11NO2S.C5H14NO.C4H6O6/c1-9-3-2-4(6)5(7)8;1-6(2,3)4-5-7;5-1(3(7)8)2(6)4(9)10/h4H,2-3,6H2,1H3,(H,7,8);7H,4-5H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/q;+1;/p-1


name: Metominostrobin
cas: 133408-50-1
chebiid: CHEBI:81831
chemspiderid: 4588319
dtxsid: DTXSID1057959
formula: C16H16N2O3
inchikey: HIIRDDUVRXCDBN-OBGWFSINSA-N
norman_susdat_id: NS00010318
pubchem_cid: 5483872
smiles: O=C(NC)C(=NOC)c2ccccc2Oc1ccccc1
inchi:
InChI=1S/C16H16N2O3/c1-17-16(19)15(18-20-2)13-10-6-7-11-14(13)21-12-8-4-3-5-9-12/h3-11H,1-2H3,(H,17,19)/b18-15+


cas: 133413-70-4
chemspiderid: 140319
formula: C52H76N4O12
inchikey: YJNUXGPXJFAUQJ-LYWANRAQSA-N
norman_susdat_id: NS00024285
pubchem_cid: 159590
name:
Cyclo[(.alpha.R)-.alpha.-hydroxybenzenepropanoyl-N-methyl-L-leucyl-(2R)-2-hydroxypropanoyl-N-methyl-L-leucyl-(.alpha.R)-.alpha.-hydroxybenzenepropanoyl-N-methyl-L-leucyl-(2R)-2-hydroxypropanoyl-N-methyl- L-leucyl]

inchi:
InChI=1S/C52H76N4O12/c1-31(2)25-39-49(61)65-35(9)45(57)53(11)42(28-34(7)8)52(64)68-44(30-38-23-19-16-20-24-38)48(60)56(14)40(26-32(3)4)50(62)66-36(10)46(58)54(12)41(27-33(5)6)51(63)67-43(47(59)55(39)13)29-37-21-17-15-18-22-37/h15-24,31-36,39-44H,25-30H2,1-14H3/t35-,36-,39+,40+,41+,42+,43-,44-/m1/s1

smiles:
C[C@@H]1C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O[C@@H](C(=O)N([C@H](C(=O)O1)CC(C)C)C)Cc2ccccc2)CC(C)C)C)C)CC(C)C)C)Cc3ccccc3)CC(C)C)C


cas: 1334163-54-0
dtxsid: DTXSID30897607
norman_susdat_id: NS00110162
name:
2-Propenoic acid, 2-methyl-, polymer with butyl 2-propenoate, 2-methylpropyl 2-methyl-2-propenoate, 2-propenoic acid and 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methyl-2-propenoate, tert-Bu 2-ethylhexaneperoxoate-initiated


cas: 1334298-90-6
formula: C26H23F4N9O
inchikey: KTBSXLIQKWEBRB-UHFFFAOYSA-N
norman_susdat_id: NS00073397
pubchem_cid: 53380437
smiles: N#CCC1(n2cc(-c3ncnc4[nH]ccc34)cn2)CN(C2CCN(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)C1
name:
2-(1-{1-[3-fluoro-2-(trifluoromethyl)pyridine-4-carbonyl]piperidin-4-yl}-3-(4-{7h-pyrrolo[2,3-d]pyrimidin-4-yl}-1h-pyrazol-1-yl)azetidin-3-yl)acetonitrile

inchi:
InChI=1S/C26H23F4N9O/c27-20-18(1-7-32-22(20)26(28,29)30)24(40)37-9-3-17(4-10-37)38-13-25(14-38,5-6-31)39-12-16(11-36-39)21-19-2-8-33-23(19)35-15-34-21/h1-2,7-8,11-12,15,17H,3-5,9-10,13-14H2,(H,33,34,35)


name: Peldesine
cas: 133432-71-0
dtxsid: DTXSID10158107
formula: C12H11N5O
inchikey: DOHVAKFYAHLCJP-UHFFFAOYSA-N
norman_susdat_id: NS00069972
smiles: Nc1nc2c(Cc3cccnc3)c[nH]c2c(=O)[nH]1
inchi:
InChI=1S/C12H11N5O/c13-12-16-9-8(4-7-2-1-3-14-5-7)6-15-10(9)11(18)17-12/h1-3,5-6,15H,4H2,(H3,13,16,17,18)


name: JWH-193
cas: 133438-58-1
chemspiderid: 8425762
dtxsid: DTXSID70158108
formula: C26H26N2O2
inchikey: ICKWPPYMDARCKJ-UHFFFAOYSA-N
norman_susdat_id: NS00017603
pubchem_cid: 10250276
smiles: CC1=CC=C(C2=CC=CC=C12)C(=O)C3=CN(C4=CC=CC=C43)CCN5CCOCC5
inchi:
InChI=1S/C26H26N2O2/c1-19-10-11-23(21-7-3-2-6-20(19)21)26(29)24-18-28(25-9-5-4-8-22(24)25)13-12-27-14-16-30-17-15-27/h2-11,18H,12-17H2,1H3


cas: 1334473-84-5
dtxsid: DTXSID00897639
norman_susdat_id: NS00109112
name:
2-Propenoic acid, 2-methyl-, 2-(dimethylamino)ethyl ester, polymer with 1-ethenyl-2-pyrrolidinone and 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-propenoate, acetate


name: Prostaglandin Bx
cas: 13345-51-2
chebiid: CHEBI:27624
chemspiderid: 4784
dtxsid: DTXSID70192547
formula: C20H32O4
inchikey: YBHMPNRDOVPQIN-VSOYFRJCSA-N
norman_susdat_id: NS00014908
pubchem_cid: 5280388
smiles: O=C1/C(=C(/C=C/C(O)CCCCC)CC1)CCCCCCC(=O)O
inchi:
InChI=1S/C20H32O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h12,14,17,21H,2-11,13,15H2,1H3,(H,23,24)/b14-12+/t17-/m0/s1


name: Iloperidone
cas: 133454-47-4
chebiid: CHEBI:65173
dtxsid: DTXSID6049060
formula: C24H27FN2O4
inchikey: XMXHEBAFVSFQEX-UHFFFAOYSA-N
norman_susdat_id: NS00068641
pubchem_cid: 71360
smiles: COc1cc(C(C)=O)ccc1OCCCN1CCC(c2noc3cc(F)ccc23)CC1
inchi:
InChI=1S/C24H27FN2O4/c1-16(28)18-4-7-21(23(14-18)29-2)30-13-3-10-27-11-8-17(9-12-27)24-20-6-5-19(25)15-22(20)31-26-24/h4-7,14-15,17H,3,8-13H2,1-2H3


name: 4-{4-[(2-Ethylhexyl)oxy]phenyl}-1lambda~4~,4-thiazinane-1,1-bis(olate)
cas: 133467-41-1
chemspiderid: 57559385
dtxsid: DTXSID40699230
formula: C18H31N1O3S1
inchikey: UJCWJLJVWQCZEP-UHFFFAOYSA-L
norman_susdat_id: NS00040890
pubchem_cid: NA
smiles: CCCCC(CC)COc1ccc(cc1)N1CCS([O-])([O-])CC1
inchi:
InChI=1S/C18H31NO3S/c1-3-5-6-16(4-2)15-22-18-9-7-17(8-10-18)19-11-13-23(20,21)14-12-19/h7-10,16,20-21H,3-6,11-15H2,1-2H3/p-2


name: 2-[(diisopropyl)amino]ethyl 9H-xanthene-9-carboxylate
cas: 13347-41-6
dtxsid: DTXSID70928126
formula: C22H27NO3
inchikey: SKMKGLSIZVBHQB-UHFFFAOYSA-N
norman_susdat_id: NS00051098
pubchem_cid: 83364
smiles: O=C(OCCN(C(C)C)C(C)C)C1C=2C=CC=CC2OC=3C=CC=CC31
inchi:
InChI=1/C22H27NO3/c1-15(2)23(16(3)4)13-14-25-22(24)21-17-9-5-7-11-19(17)26-20-12-8-6-10-18(20)21/h5-12,15-16,21H,13-14H2,1-4H3


name: Octadecanoic acid, monoester with butanediol
cas: 1335-20-2
chemspiderid: 66633
dtxsid: DTXSID3061681
formula: C22H44O3
inchikey: IKDHIMYPOLRLJB-UHFFFAOYSA-N
norman_susdat_id: NS00024291
pubchem_cid: 74009
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCCCO
inchi:
InChI=1S/C22H44O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(24)25-21-18-17-20-23/h23H,2-21H2,1H3


name: 2-(hexadecanoyloxy)propionic acid, monoester with glycerol
cas: 1335-49-5
dtxsid: DTXSID00928154
formula: C22H42O6
inchikey: DCOCIAQCXDPXPG-UHFFFAOYSA-N
norman_susdat_id: NS00044763
pubchem_cid: 102609
smiles: O=C(OC(C(=O)OCC(O)CO)C)CCCCCCCCCCCCCCC
inchi:
InChI=1/C22H42O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(25)28-19(2)22(26)27-18-20(24)17-23/h19-20,23-24H,3-18H2,1-2H3


cas: 13350-41-9
chemspiderid: 4942340
dtxsid: DTXSID2065418
formula: C22H19N3O4S1
inchikey: MTTSAJTTXKHHJZ-UHFFFAOYSA-N
norman_susdat_id: NS00024290
pubchem_cid: 109915
smiles: CCn1/c(=C/C=C/2N(CC(=O)O)C(=S)N(C2=O)c2ccccc2)/oc2c1cccc2
name:
1-Imidazolidineacetic acid, 5-[(3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-4-oxo-3-phenyl-2-thioxo-

inchi:
InChI=1S/C22H19N3O4S/c1-2-23-16-10-6-7-11-18(16)29-19(23)13-12-17-21(28)25(15-8-4-3-5-9-15)22(30)24(17)14-20(26)27/h3-13H,2,14H2,1H3,(H,26,27)/b17-12-,19-13-


name: 2-(4-(3-(4-chlorophenyl)-2-pyrazolin-1-yl)phenylsulfonyl)ethyldimethylammonium formate
cas: 133514-97-3
chemspiderid: 74523
formula: C19H22Cl1N3O2S1
inchikey: UOOLKMBHYQVDNO-UHFFFAOYSA-N
norman_susdat_id: NS00009154
pubchem_cid: 82580
smiles: CN(C)CCS(=O)(=O)c1ccc(cc1)N1CCC(=N1)c1ccc(Cl)cc1
inchi:
InChI=1S/C19H22ClN3O2S/c1-22(2)13-14-26(24,25)18-9-7-17(8-10-18)23-12-11-19(21-23)15-3-5-16(20)6-4-15/h3-10H,11-14H2,1-2H3


name: 2-[[1-(4-chlorophenyl)cyclohexyl]oxy]ethyl(diethyl)ammonium chloride
cas: 13352-70-0
dtxsid: DTXSID80928172
formula: C18H28ClNO
inchikey: GHTNEJJXVUMOPX-UHFFFAOYSA-N
norman_susdat_id: NS00051569
pubchem_cid: 25904
smiles: [Cl-].ClC1=CC=C(C=C1)C2(OCC[NH+](CC)CC)CCCCC2
inchi:
InChI=1/C18H28ClNO.ClH/c1-3-20(4-2)14-15-21-18(12-6-5-7-13-18)16-8-10-17(19)11-9-16;/h8-11H,3-7,12-15H2,1-2H3;1H


name: Senecionine N-oxide
cas: 13354-33-1
chebiid: CHEBI:52070
chemspiderid: 21865984
formula: C18H25NO6
inchikey: PLGBHVNNYDZWGZ-GPUZEBNTSA-N
norman_susdat_id: NS00066969
pubchem_cid: 5380876
smiles: CC=C1C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23
inchi:
InChI=1S/C18H25NO6/c1-4-12-9-11(2)18(3,22)17(21)24-10-13-5-7-19(23)8-6-14(15(13)19)25-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4-/t11-,14-,15-,18-,19?/m1/s1


cas: 1335496-60-0
dtxsid: DTXSID20896164
formula: C27H37F13O3Si2
inchikey: ORKNYFGKPMRLBL-UHFFFAOYSA-N
norman_susdat_id: NS00109738
name:
1-[3,5-Bis({[tert-butyl(dimethyl)silyl]oxy}methyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptan-1-one

inchi:
InChI=1S/C27H37F13O3Si2/c1-20(2,3)44(7,8)42-14-16-11-17(15-43-45(9,10)21(4,5)6)13-18(12-16)19(41)22(28,29)23(30,31)24(32,33)25(34,35)26(36,37)27(38,39)40/h11-13H,14-15H2,1-10H3

smiles:
CC(C)(C)[Si](C)(C)OCc1cc(CO[Si](C)(C)C(C)(C)C)cc(c1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


cas: 1335496-61-1
dtxsid: DTXSID20896225
formula: C27H38F13NO3Si2
inchikey: BVXZMRRINBBFRU-UHFFFAOYSA-N
norman_susdat_id: NS00109745
name:
N-{1-[3,5-Bis({[tert-butyl(dimethyl)silyl]oxy}methyl)phenyl]-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptylidene}hydroxylamine

inchi:
InChI=1S/C27H38F13NO3Si2/c1-20(2,3)45(7,8)43-14-16-11-17(15-44-46(9,10)21(4,5)6)13-18(12-16)19(41-42)22(28,29)23(30,31)24(32,33)25(34,35)26(36,37)27(38,39)40/h11-13,42H,14-15H2,1-10H3

smiles:
CC(C)(C)[Si](C)(C)OCc1cc(CO[Si](C)(C)C(C)(C)C)cc(c1)C(=NO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Melarsonyl potassium
cas: 13355-00-5
formula: C13H13AsN6O4S2.2K
inchikey: PHCMFHVCRUCADN-UHFFFAOYSA-L
norman_susdat_id: NS00086409
smiles: [K+].[K+].Nc1nc(N)nc(Nc2ccc(cc2)[As]3SC(C(S3)C(=O)[O-])C(=O)[O-])n1
inchi:
InChI=1/C13H13AsN6O4S2.2K/c15-11-18-12(16)20-13(19-11)17-6-3-1-5(2-4-6)14-25-7(9(21)22)8(26-14)10(23)24;;/h1-4,7-8H,(H,21,22)(H,23,24)(H5,15,16,17,18,19,20);;/q;2*+1/p-2


name: Butylchlorodihydroxystannane
cas: 13355-96-9
dtxsid: DTXSID4044797
formula: C4H11ClO2Sn
inchikey: FQYHHEJETOLDHR-UHFFFAOYSA-K
norman_susdat_id: NS00053350
pubchem_cid: 22041947
smiles: Cl[Sn](O)(O)CCCC
inchi:
InChI=1/C4H9.ClH.2H2O.Sn/c1-3-4-2;;;;/h1,3-4H2,2H3;1H;2*1H2;/q;;;;+3/p-3/rC4H11ClO2Sn/c1-2-3-4-8(5,6)7/h6-7H,2-4H2,1H3


name: Bis(tris(2-methyl-2-phenylpropyl)tin) oxide
cas: 13356-08-6
chebiid: CHEBI:39294
dtxsid: DTXSID7032391
formula: C60H78OSn2
inchikey: HOXINJBQVZWYGZ-UHFFFAOYSA-N
norman_susdat_id: NS00054660
pubchem_cid: 16683004
eea_notation: CAS_13356-08-6
inchi:
InChI=1/6C10H13.O.2Sn/c6*1-10(2,3)9-7-5-4-6-8-9;;;/h6*4-8H,1H2,2-3H3;;;/rC60H78OSn2/c1-55(2,49-31-19-13-20-32-49)43-62(44-56(3,4)50-33-21-14-22-34-50,45-57(5,6)51-35-23-15-24-36-51)61-63(46-58(7,8)52-37-25-16-26-38-52,47-59(9,10)53-39-27-17-28-40-53)48-60(11,12)54-41-29-18-30-42-54/h13-42H,43-48H2,1-12H3

smiles:
O([Sn](CC(C=1C=CC=CC1)(C)C)(CC(C=2C=CC=CC2)(C)C)CC(C=3C=CC=CC3)(C)C)[Sn](CC(C=4C=CC=CC4)(C)C)(CC(C=5C=CC=CC5)(C)C)CC(C=6C=CC=CC6)(C)C


name: Hydroxyoctyloxostannane
cas: 13356-20-2
dtxsid: DTXSID50884594
formula: C8H18O2Sn
inchikey: PTEQOGYHCSJZIZ-UHFFFAOYSA-M
norman_susdat_id: NS00054661
pubchem_cid: 83370
smiles: O=[Sn](O)CCCCCCCC
inchi:
InChI=1/C8H17.H2O.O.Sn/c1-3-5-7-8-6-4-2;;;/h1,3-8H2,2H3;1H2;;/q;;;+1/p-1/rC8H18O2Sn/c1-2-3-4-5-6-7-8-11(9)10/h9H,2-8H2,1H3


name: Disodium 2,2'-[(4-oxo-2-phenyl-4H-1-benzopyran-5,7-diyl)bis(oxy)]bisacetate
cas: 13358-62-8
dtxsid: DTXSID50158186
formula: C19H14O8
inchikey: NZWVXAWPZJOYKP-UHFFFAOYSA-L
norman_susdat_id: NS00053351
pubchem_cid: 166796
smiles: [Na+].[Na+].O=C([O-])COC=1C=C2OC(=CC(=O)C2=C(OCC(=O)[O-])C1)C=3C=CC=CC3
inchi:
InChI=1/C19H14O8.2Na/c20-13-8-14(11-4-2-1-3-5-11)27-16-7-12(25-9-17(21)22)6-15(19(13)16)26-10-18(23)24;;/h1-8H,9-10H2,(H,21,22)(H,23,24);;/q;2*+1/p-2


name: Polychlorinated biphenyls
cas: 1336-36-3
dtxsid: DTXSID5024267
norman_susdat_id: NS00075457
eea_notation: CAS_1336-36-3
smiles:
[*]C1=C([*])C([*])=C(C([*])=C1[*])C1=C([*])C([*])=C([*])C([*])=C1[*] |$_R1;;;_R1;;_R1;;;_R1;;_R1;;;_R1;;_R1;;_R1;;_R1;;_R1$,c:1,5,8,12,20,t:16,RG:_R1={Cl* |$;_AP1$,lp:0:3|},LOG={_R1:;H;>0}|


name: Perfluorotetramethyltetraoxapentadecanoicacidme
cas: 133609-46-8
chemspiderid: 2055820
dtxsid: DTXSID80379564
formula: C16H3F29O6
inchikey: XCSZRHBSQLYKOK-UHFFFAOYSA-N
norman_susdat_id: NS00018760
pubchem_cid: 2775487
inchi:
InChI=1S/C16H3F29O6/c1-47-2(46)3(17,8(23,24)25)48-14(40,41)5(20,10(29,30)31)50-16(44,45)7(22,12(35,36)37)51-15(42,43)6(21,11(32,33)34)49-13(38,39)4(18,19)9(26,27)28/h1H3

smiles:
COC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F)C(F)(F)F


name: (1S,2S,3S,5R)-2,6,6-Trimethylspiro[bicyclo[3.1.1]heptane-3,1'-cyclohexane]-2'-en-4'-one
cas: 133636-82-5
chemspiderid: 57523134
dtxsid: DTXSID1051480
formula: C15H22O1
inchikey: YBDPZJGWLRHCHO-WJNVRWDZSA-N
norman_susdat_id: NS00024302
pubchem_cid: 117859414
smiles: C[C@H]1[C@@H]2C[C@H](C[C@]11CCC(=O)C=C1)C2(C)C
inchi:
InChI=1S/C15H22O/c1-10-13-8-11(14(13,2)3)9-15(10)6-4-12(16)5-7-15/h4,6,10-11,13H,5,7-9H2,1-3H3/t10-,11+,13-,15-/m0/s1


name: 2-(3,5-Dichloro-4-(4-chlorobenzyl)phenyl)-1,2,4-triazine-3,5(2H,4H)-dione
cas: 133648-80-3
chemspiderid: 13618373
dtxsid: DTXSID70158289
formula: C16H10Cl3N3O2
inchikey: OKYBVAJQBYWJHL-UHFFFAOYSA-N
norman_susdat_id: NS00040583
pubchem_cid: 15052913
smiles: Clc1ccc(Cc2c(Cl)cc(cc2Cl)-n2ncc(=O)[nH]c2=O)cc1
inchi:
InChI=1S/C16H10Cl3N3O2/c17-10-3-1-9(2-4-10)5-12-13(18)6-11(7-14(12)19)22-16(24)21-15(23)8-20-22/h1-4,6-8H,5H2,(H,21,23,24)


name: Prostaglandin b2
cas: 13367-85-6
chebiid: CHEBI:28099
dtxsid: DTXSID50864391
formula: C20H30O4
inchikey: PRFXRIUZNKLRHM-HKVRTXJWSA-N
norman_susdat_id: NS00069893
pubchem_cid: 5280881
smiles: CCCCC[C@H](O)/C=C/C1=C(C/C=CCCCC(=O)O)C(=O)CC1
inchi:
InChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12,14,17,21H,2-3,5-6,8-11,13,15H2,1H3,(H,23,24)/b7-4-,14-12+/t17-/m0/s1


name: Citric acid, octadecyl ester
cas: 1337-33-3
chebiid: CHEBI:168459
chemspiderid: 9786768
dtxsid: DTXSID70891144
formula: C24H44O7
inchikey: REVZBRXEBPWDRA-UHFFFAOYSA-N
norman_susdat_id: NS00014125
pubchem_cid: 11612014
smiles: CCCCCCCCCCCCCCCCCCOC(=O)CC(O)(CC([O-])=O)C([O-])=O
inchi:
InChI=1S/C24H44O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31-22(27)20-24(30,23(28)29)19-21(25)26/h30H,2-20H2,1H3,(H,25,26)(H,28,29)/p-2


name: Abieta-7,13-dien-18-oic acid
cas: 1337-89-9
chemspiderid: 82077
dtxsid: DTXSID20275874
formula: C20H30O2
inchikey: RSWGJHLUYNHPMX-UHFFFAOYSA-N
norman_susdat_id: NS00013685
pubchem_cid: 90895
smiles: CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2CC1.OCC(O)CO
inchi:
InChI=1S/C20H30O2.C3H8O3/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;4-1-3(6)2-5/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);3-6H,1-2H2/t16-,17+,19+,20+;/m0./s1


name: Butyltriphenylphosphonium chloride
cas: 13371-17-0
formula: C22H24P.Cl
inchikey: MFIUDWFSVDFDDY-UHFFFAOYSA-M
norman_susdat_id: NS00086422
smiles: [Cl-].CCCC[P+](c1ccccc1)(c2ccccc2)c3ccccc3
inchi:
InChI=1/C22H24P.ClH/c1-2-3-19-23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-18H,2-3,19H2,1H3;1H/q+1;/p-1


name: Dihexadecyl phthalate
cas: 13372-18-4
dtxsid: DTXSID20928252
formula: C40H70O4
inchikey: WKXCGJKBBBBNPF-UHFFFAOYSA-N
norman_susdat_id: NS00053373
pubchem_cid: 15752020
smiles: O=C(OCCCCCCCCCCCCCCCC)C=1C=CC=CC1C(=O)OCCCCCCCCCCCCCCCC
inchi:
InChI=1/C40H70O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-31-35-43-39(41)37-33-29-30-34-38(37)40(42)44-36-32-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-30,33-34H,3-28,31-32,35-36H2,1-2H3


name: Pagoclone
cas: 133737-32-3
dtxsid: DTXSID40869830
formula: C23H22ClN3O2
inchikey: HIUPRQPBWVEQJJ-IBGZPJMESA-N
norman_susdat_id: NS00068376
smiles: CC(C)CCC(=O)C[C@H]1c2ccccc2C(=O)N1c1ccc2ccc(Cl)nc2n1
inchi:
InChI=1S/C23H22ClN3O2/c1-14(2)7-10-16(28)13-19-17-5-3-4-6-18(17)23(29)27(19)21-12-9-15-8-11-20(24)25-22(15)26-21/h3-6,8-9,11-12,14,19H,7,10,13H2,1-2H3/t19-/m0/s1


cas: 133754-46-8
formula: C7H16O3
norman_susdat_id: NS00101408
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol (3:1), monomethyl ether


name: Propanenitrile, 3-[(2-hydroxyethyl)[4-[(2-hydroxy-4-nitrophenyl)azo]-3-methylphenyl]amino]-
cas: 13377-98-5
chemspiderid: 7850431
dtxsid: DTXSID1065429
formula: C18H19N5O4
inchikey: AOMPWZIIJWGZLI-UHFFFAOYSA-N
norman_susdat_id: NS00024309
pubchem_cid: NA
smiles: Cc1c(N/N=C/2C=CC(=CC2=O)[N+](=O)[O-])ccc(c1)N(CCO)CCC#N
inchi:
InChI=1S/C18H19N5O4/c1-13-11-14(22(9-10-24)8-2-7-19)3-5-16(13)20-21-17-6-4-15(23(26)27)12-18(17)25/h3-6,11-12,20,24H,2,8-10H2,1H3/b21-17+


name: [2-hydroxy-3-[2-(methylthio)phenoxy]propyl]isopropylammonium chloride
cas: 13379-87-8
dtxsid: DTXSID20928272
formula: C13H21NO2S
inchikey: PZWMMXHCUXTDQM-UHFFFAOYSA-N
norman_susdat_id: NS00055135
pubchem_cid: 38353
smiles: [Cl-].OC(COC=1C=CC=CC1SC)C[NH2+]C(C)C
inchi:
InChI=1/C13H21NO2S.ClH/c1-10(2)14-8-11(15)9-16-12-6-4-5-7-13(12)17-3;/h4-7,10-11,14-15H,8-9H2,1-3H3;1H


name: Octadecanoic acid, ester with 1,2,3-propanetriol 2-hydroxypropanoate
cas: 1338-10-9
formula: C24H46O6
inchikey: CNFBVKHISCKTDB-UHFFFAOYSA-N
norman_susdat_id: NS00045368
pubchem_cid: 53438753
smiles: O=C(OCC(O)COC(=O)C(O)C)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H46O6/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)29-19-22(26)20-30-24(28)21(2)25/h21-22,25-26H,3-20H2,1-2H3


name: Sorbitan monododecanoate
cas: 1338-39-2
chemspiderid: 14221
dtxsid: DTXSID6027395
formula: C18H34O6
inchikey: LWZFANDGMFTDAV-IOVMHBDKSA-N
norman_susdat_id: NS00006925
pubchem_cid: 14926
smiles: CCCCCCCCCCCC(=O)OCC(O)[C@H]1OC[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C18H34O6/c1-2-3-4-5-6-7-8-9-10-11-16(21)23-13-15(20)18-17(22)14(19)12-24-18/h14-15,17-20,22H,2-13H2,1H3/t14-,15?,17+,18-/m1/s1


name: Anhydrosorbitol stearate
cas: 1338-41-6
chemspiderid: 14223
dtxsid: DTXSID1027396
formula: C24H46O6
inchikey: HVUMOYIDDBPOLL-IIZJTUPISA-N
norman_susdat_id: NS00006891
pubchem_cid: 14928
smiles: CCCCCCCCCCCCCCCCCC(=O)OCC(O)[C@H]1OC[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C24H46O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h20-21,23-26,28H,2-19H2,1H3/t20-,21?,23+,24-/m1/s1


name: Sorbitan, mono-(9Z)-9-octadecenoate
cas: 1338-43-8
chebiid: CHEBI:172670
chemspiderid: 4532571
dtxsid: DTXSID6027397
formula: C24H44O6
inchikey: NWGKJDSIEKMTRX-MDZDMXLPSA-N
norman_susdat_id: NS00009340
pubchem_cid: 5385498
smiles: CCCCCCCCC=CCCCCCCCC(=O)OCC(O)C1OCC(O)C1O
inchi:
InChI=1S/C24H44O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)29-19-21(26)24-23(28)20(25)18-30-24/h9-10,20-21,23-26,28H,2-8,11-19H2,1H3/b10-9+


name: Caldaret
cas: 133804-44-1
dtxsid: DTXSID80158376
formula: C11H16N2O3S
inchikey: DCDFLGVJWQIRGH-UHFFFAOYSA-N
norman_susdat_id: NS00068657
smiles: Cc1ccc(N2CCNCC2)c(S(=O)(=O)O)c1
inchi:
InChI=1S/C11H16N2O3S/c1-9-2-3-10(11(8-9)17(14,15)16)13-6-4-12-5-7-13/h2-3,8,12H,4-7H2,1H3,(H,14,15,16)


name: Vermixocin B
cas: 133806-59-4
dtxsid: DTXSID80928278
formula: C23H26O7
inchikey: NUYFKDBCHFKOBT-UHFFFAOYSA-N
norman_susdat_id: NS00097432
smiles: CC1=CC(=C2C(=C1)COC(=O)C3=C(O2)C=CC(=C3OC)C(CC(C)C)OC(=O)C)O
inchi:
InChI=1S/C23H26O7/c1-12(2)8-19(29-14(4)24)16-6-7-18-20(22(16)27-5)23(26)28-11-15-9-13(3)10-17(25)21(15)30-18/h6-7,9-10,12,19,25H,8,11H2,1-5H3


name: 4,4,5,5-Tetramethyl-2-[5-(tridecafluorohexyl)thiophen-2-yl]-1,3,2-dioxaborolane
cas: 1338083-27-4
dtxsid: DTXSID30896216
formula: C16H14BF13O2S
inchikey: SCCANANFFIZWAW-UHFFFAOYSA-N
norman_susdat_id: NS00110089
smiles: CC1(C)OB(OC1(C)C)c1ccc(s1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C16H14BF13O2S/c1-9(2)10(3,4)32-17(31-9)8-6-5-7(33-8)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)30/h5-6H,1-4H3


name: Doravirine
cas: 1338225-97-0
dtxsid: DTXSID30158386
formula: C17H11ClF3N5O3
inchikey: ZIAOVIPSKUPPQW-UHFFFAOYSA-N
norman_susdat_id: NS00072965
pubchem_cid: 58460047
smiles: Cn1c(Cn2ccc(C(F)(F)F)c(Oc3cc(Cl)cc(C#N)c3)c2=O)n[nH]c1=O
inchi:
InChI=1S/C17H11ClF3N5O3/c1-25-13(23-24-16(25)28)8-26-3-2-12(17(19,20)21)14(15(26)27)29-11-5-9(7-22)4-10(18)6-11/h2-6H,8H2,1H3,(H,24,28)


name: Isopropylidenedi-p-phenylene tetra-o-tolyl bis(phosphate)
cas: 13385-20-1
chemspiderid: 75251
dtxsid: DTXSID10158400
formula: C43H42O8P2
inchikey: BXYCHPONLSDFMX-UHFFFAOYSA-N
norman_susdat_id: NS00024313
pubchem_cid: 83394
smiles: Cc1c(OP(=O)(Oc2ccc(cc2)C(C)(C)c2ccc(OP(=O)(Oc3c(C)cccc3)Oc3c(C)cccc3)cc2)Oc2c(C)cccc2)cccc1
inchi:
InChI=1S/C43H42O8P2/c1-31-15-7-11-19-39(31)48-52(44,49-40-20-12-8-16-32(40)2)46-37-27-23-35(24-28-37)43(5,6)36-25-29-38(30-26-36)47-53(45,50-41-21-13-9-17-33(41)3)51-42-22-14-10-18-34(42)4/h7-30H,1-6H3


name: Epoxiconazole
cas: 133855-98-8
chebiid: CHEBI:83758
chemspiderid: 2564795
dtxsid: DTXSID1040372
formula: C17H13Cl1F1N3O1
inchikey: ZMYFCFLJBGAQRS-UHFFFAOYSA-N
norman_susdat_id: NS00009136
pubchem_cid: 3317081
smiles: FC1=CC=C(C=C1)C1(CN2C=NC=N2)OC1C1=C(Cl)C=CC=C1
eea_notation: CAS_133855-98-8
inchi:
InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2


name: Priralfinamide
cas: 133865-88-0
dtxsid: DTXSID70158406
formula: C17H19FN2O2
inchikey: BHJIBOFHEFDSAU-LBPRGKRZSA-N
norman_susdat_id: NS00072947
pubchem_cid: 5745207
smiles: C[C@H](NCc1ccc(OCc2ccccc2F)cc1)C(N)=O
inchi:
InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-6-8-15(9-7-13)22-11-14-4-2-3-5-16(14)18/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1


name: Safinamide
cas: 133865-89-1
chebiid: CHEBI:94774
chemspiderid: 4589350
dtxsid: DTXSID601010282
formula: C17H19F1N2O2
inchikey: NEMGRZFTLSKBAP-GFCCVEGCSA-N
norman_susdat_id: NS00001226
pubchem_cid: 5487407
smiles: C[C@H](NCC1=CC=C(OCC2=CC=CC(F)=C2)C=C1)C(N)=O
inchi:
InChI=1S/C17H19FN2O2/c1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14/h2-9,12,20H,10-11H2,1H3,(H2,19,21)/t12-/m0/s1


name: N-(Naphthalen-1-yl)-1-pentyl-1H-indole-3-carboxamide
cas: 1338925-11-3
chemspiderid: 26613275
dtxsid: DTXSID50716467
formula: C24H24N2O1
inchikey: GWCQNKRMTGVYIZ-UHFFFAOYSA-N
norman_susdat_id: NS00017624
pubchem_cid: 54752945
smiles: CCCCCN1C=C(C2=CC=CC=C21)C(=O)NC3=CC=CC4=CC=CC=C43
inchi:
InChI=1S/C24H24N2O/c1-2-3-8-16-26-17-21(20-13-6-7-15-23(20)26)24(27)25-22-14-9-11-18-10-4-5-12-19(18)22/h4-7,9-15,17H,2-3,8,16H2,1H3,(H,25,27)


name: Methyl-1-pentyl-1H-indole-3-carboxylate
cas: 1338925-20-4
chemspiderid: 29341713
formula: C15H19N1O2
inchikey: FMSUKWLGFFSMTP-UHFFFAOYSA-N
norman_susdat_id: NS00017676
pubchem_cid: 56642542
smiles: CCCCCN1C=C(C2=CC=CC=C21)C(=O)OC
inchi:
InChI=1S/C15H19NO2/c1-3-4-7-10-16-11-13(15(17)18-2)12-8-5-6-9-14(12)16/h5-6,8-9,11H,3-4,7,10H2,1-2H3


cas: 13390-46-0
dtxsid: DTXSID50889605
formula: C24H20N4O10S3
inchikey: CLUCWDAGPIWTPZ-UHFFFAOYSA-L
norman_susdat_id: NS00054262
pubchem_cid: 83397
name:
Disodium 3-[[4-(acetylamino)phenyl]azo]-4-hydroxy-5-[(phenylsulphonyl)amino]naphthalene-2,7-disulphonate

inchi:
InChI=1/C24H20N4O10S3.2Na/c1-14(29)25-16-7-9-17(10-8-16)26-27-23-21(41(36,37)38)12-15-11-19(40(33,34)35)13-20(22(15)24(23)30)28-39(31,32)18-5-3-2-4-6-18;;/h2-13,28,30H,1H3,(H,25,29)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC=C(N=NC=2C(O)=C3C(C=C(C=C3NS(=O)(=O)C=4C=CC=CC4)S(=O)(=O)[O-])=CC2S(=O)(=O)[O-])C=C1)C


name: Sodium 2,2'-thiobis(5-(4-ethoxyphenylazo)benzenesulphonate
cas: 13390-47-1
formula: C28H26N4O8S3.2Na
inchikey: VSSMQLIMSVAUDK-UHFFFAOYSA-L
norman_susdat_id: NS00087710
smiles: CCOc1ccc(cc1)N=Nc2ccc(Sc3ccc(cc3S(=O)(=O)O[Na])N=Nc4ccc(OCC)cc4)c(c2)S(=O)(=O)O[Na]
inchi:
InChI=1/C28H26N4O8S3.2Na/c1-3-39-23-11-5-19(6-12-23)29-31-21-9-15-25(27(17-21)42(33,34)35)41-26-16-10-22(18-28(26)43(36,37)38)32-30-20-7-13-24(14-8-20)40-4-2;;/h5-18H,3-4H2,1-2H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/rC28H24N4Na2O8S3/c1-3-39-23-11-5-19(6-12-23)29-31-21-9-15-25(27(17-21)44(35,36)41-33)43-26-16-10-22(18-28(26)45(37,38)42-34)32-30-20-7-13-24(14-8-20)40-4-2/h5-18H,3-4H2,1-2H3


name: Trisodium anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15-triyl tris(sulphate)
cas: 13390-52-8
dtxsid: DTXSID40928335
formula: C31H17NO12S3
inchikey: YTDLEQOJLBILDS-UHFFFAOYSA-K
norman_susdat_id: NS00053836
pubchem_cid: 21124538
inchi:
InChI=1/C31H17NO12S3.3Na/c33-45(34,35)42-29-19-6-2-1-5-15(19)16-13-14-24-26-17(9-11-22(29)25(16)26)18-10-12-23-27(28(18)32-24)31(44-47(39,40)41)21-8-4-3-7-20(21)30(23)43-46(36,37)38;;;/h1-14H,(H,33,34,35)(H,36,37,38)(H,39,40,41);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])OC1=C2C=CC=CC2=C(OS(=O)(=O)[O-])C=3C=4N=C5C=CC6=C7C=CC=CC7=C(OS(=O)(=O)[O-])C8=CC=C(C4C=CC13)C5=C86


name: Trityllosartan
cas: 133909-99-6
chemspiderid: 9040559
dtxsid: DTXSID80158417
formula: C41H37Cl1N6O1
inchikey: QQPGGBNMTNDKEY-UHFFFAOYSA-N
norman_susdat_id: NS00003947
pubchem_cid: 10865273
smiles: CCCCc1nc(Cl)c(CO)n1Cc1ccc(cc1)-c1ccccc1-c1nnn(n1)C(c1ccccc1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C41H37ClN6O/c1-2-3-23-38-43-39(42)37(29-49)47(38)28-30-24-26-31(27-25-30)35-21-13-14-22-36(35)40-44-46-48(45-40)41(32-15-7-4-8-16-32,33-17-9-5-10-18-33)34-19-11-6-12-20-34/h4-22,24-27,49H,2-3,23,28-29H2,1H3


name: N,N'-(Propane-1,2-diyl)bis(2,2,3,3,4,4,4-heptafluorobutanamide)
cas: 133911-24-7
dtxsid: DTXSID20896720
formula: C11H8F14N2O2
inchikey: HGSDUSCXQFLBKU-UHFFFAOYSA-N
norman_susdat_id: NS00109794
smiles: CC(CNC(=O)C(F)(F)C(F)(F)C(F)(F)F)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C11H8F14N2O2/c1-3(27-5(29)7(14,15)9(18,19)11(23,24)25)2-26-4(28)6(12,13)8(16,17)10(20,21)22/h3H,2H2,1H3,(H,26,28)(H,27,29)


name: Fenoterol
cas: 13392-18-2
chebiid: CHEBI:149226
chemspiderid: 3226
dtxsid: DTXSID4023046
formula: C17H21N1O4
inchikey: LSLYOANBFKQKPT-UHFFFAOYSA-N
norman_susdat_id: NS00002340
pubchem_cid: 3343
smiles: CC(Cc1ccc(O)cc1)NCC(O)c1cc(O)cc(O)c1
inchi:
InChI=1S/C17H21NO4/c1-11(6-12-2-4-14(19)5-3-12)18-10-17(22)13-7-15(20)9-16(21)8-13/h2-5,7-9,11,17-22H,6,10H2,1H3


name: Sodium pentadecyl sulphate
cas: 13393-71-0
formula: C15H32O4S.Na
inchikey: SMECTXYFLVLAJE-UHFFFAOYSA-M
norman_susdat_id: NS00087733
smiles: [Na+].CCCCCCCCCCCCCCCOS(=O)(=O)[O-]
inchi:
InChI=1/C15H32O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-20(16,17)18;/h2-15H2,1H3,(H,16,17,18);/q;+1/p-1


name: 1-Phenanthrenemethanol, tetradecahydro-1,4a-dimethyl-7-(1-methylethyl)-, (1R,4aR,4bS,10aR)-
cas: 13393-93-6
chemspiderid: 102563
dtxsid: DTXSID8027745
formula: C20H36O1
inchikey: KBAYQFWFCOOCIC-GJTWTXHOSA-N
norman_susdat_id: NS00007070
pubchem_cid: 114506
smiles: CC(C)C1CC[C@H]2C(CC[C@H]3[C@](C)(CO)CCC[C@]23C)C1
inchi:
InChI=1S/C20H36O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h14-18,21H,5-13H2,1-4H3/t15?,16?,17-,18-,19-,20+/m0/s1


name: 2-Iminobiotin
cas: 13395-35-2
dtxsid: DTXSID20158431
formula: C10H17N3O2S
inchikey: WWVANQJRLPIHNS-ZKWXMUAHSA-N
norman_susdat_id: NS00070680
pubchem_cid: 128878
smiles: N=C1N[C@@H]2[C@H](CCCCC(=O)O)SC[C@@H]2N1
inchi:
InChI=1S/C10H17N3O2S/c11-10-12-6-5-16-7(9(6)13-10)3-1-2-4-8(14)15/h6-7,9H,1-5H2,(H,14,15)(H3,11,12,13)/t6-,7-,9-/m0/s1


name: (1R-trans)-N,N'-1,2-Cyclohexanediylbis(perfluorobutanamide)
cas: 133964-60-0
dtxsid: DTXSID60897256
formula: C14H12F14N2O2
inchikey: BVPQBJMNLKHJNO-UHFFFAOYSA-N
norman_susdat_id: NS00111171
smiles: FC(F)(F)C(F)(F)C(F)(F)C(=O)NC1CCCCC1NC(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C14H12F14N2O2/c15-9(16,11(19,20)13(23,24)25)7(31)29-5-3-1-2-4-6(5)30-8(32)10(17,18)12(21,22)14(26,27)28/h5-6H,1-4H2,(H,29,31)(H,30,32)


name: 1-[(phosphonooxy)methyl]ethane-1,2-diyl bis[(9Z,12Z)-octadeca-9,12-dienoate]
cas: 13397-95-0
formula: C39H69O8P
inchikey: OBXRDFNCKFWKNY-MAZCIEHSSA-N
norman_susdat_id: NS00054252
pubchem_cid: 6437796
smiles: O=C(OCC(OC(=O)CCCCCCCC=CCC=CCCCCC)COP(=O)(O)O)CCCCCCCC=CCC=CCCCCC
inchi:
InChI=1/C39H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(40)45-35-37(36-46-48(42,43)44)47-39(41)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h11-14,17-20,37H,3-10,15-16,21-36H2,1-2H3,(H2,42,43,44)


name: Ethanesulfonic acid, 2,2-(hydroxyimino)bis-, sodium salt (1:2)
cas: 133986-51-3
dtxsid: DTXSID30890456
formula: C4H9NNa2O7S2
inchikey: JIJSGQYJSRWCLG-UHFFFAOYSA-L
norman_susdat_id: NS00113656
smiles: [Na+].[Na+].ON(CCS([O-])(=O)=O)CCS([O-])(=O)=O
inchi:
InChI=1S/C4H11NO7S2.2Na/c6-5(1-3-13(7,8)9)2-4-14(10,11)12;;/h6H,1-4H2,(H,7,8,9)(H,10,11,12);;/q;2*+1/p-2


name: 3-(4-Chlorophenyl)-4,5-dihydro-1-(4-(vinylsulphonyl)phenyl)-1H-pyrazole
cas: 13399-90-1
chemspiderid: 75184
dtxsid: DTXSID90158443
formula: C17H15Cl1N2O2S1
inchikey: VROWPEGBLSFFIQ-UHFFFAOYSA-N
norman_susdat_id: NS00024319
pubchem_cid: 83405
smiles: Clc1ccc(cc1)C1=NN(CC1)c1ccc(cc1)S(=O)(=O)C=C
inchi:
InChI=1S/C17H15ClN2O2S/c1-2-23(21,22)16-9-7-15(8-10-16)20-12-11-17(19-20)13-3-5-14(18)6-4-13/h2-10H,1,11-12H2


cas: 1339928-25-4
dtxsid: DTXSID90712307
formula: C23H24N8O4S
inchikey: JOWXJLIFIIOYMS-UHFFFAOYSA-N
norman_susdat_id: NS00072982
pubchem_cid: 54575456
smiles: COc1ccc(-c2nc(N3CCOCC3)c3sc(CN(C)c4ncc(C(=O)NO)cn4)cc3n2)cn1
name:
N-Hydroxy-2-[{[2-(6-methoxypyridin-3-yl)-4-(morpholin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methyl}(methyl)amino]pyrimidine-5-carboxamide

inchi:
InChI=1S/C23H24N8O4S/c1-30(23-25-11-15(12-26-23)22(32)29-33)13-16-9-17-19(36-16)21(31-5-7-35-8-6-31)28-20(27-17)14-3-4-18(34-2)24-10-14/h3-4,9-12,33H,5-8,13H2,1-2H3,(H,29,32)


cas: 1339944-47-6
formula: C21H19Cl2FN4O4S
inchikey: OGIAVRWXUPYGGC-UHFFFAOYSA-N
norman_susdat_id: NS00072966
pubchem_cid: 53477157
smiles: CS(=O)(=O)c1ccc(-n2cc(Cl)c(OC3CCN(c4ncc(Cl)cn4)CC3)cc2=O)c(F)c1
name:
5-chloro-4-{[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]oxy}-1-(2-fluoro-4-methanesulfonylphenyl)-1,2-dihydropyridin-2-one

inchi:
InChI=1S/C21H19Cl2FN4O4S/c1-33(30,31)15-2-3-18(17(24)8-15)28-12-16(23)19(9-20(28)29)32-14-4-6-27(7-5-14)21-25-10-13(22)11-26-21/h2-3,8-12,14H,4-7H2,1H3


name: 3,5,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-benzopyrylium chloride
cas: 134-01-0
formula: C16H13O6
inchikey: NSXZFXQYMMOYKI-UHFFFAOYSA-M
norman_susdat_id: NS00041594
pubchem_cid: 441773
smiles: [Cl-].OC=1C=C(O)C=2C=C(O)C(=[O+]C2C1)C=3C=CC(O)=C(OC)C3
inchi:
InChI=1/C16H12O6.ClH/c1-21-15-4-8(2-3-11(15)18)16-13(20)7-10-12(19)5-9(17)6-14(10)22-16;/h2-7H,1H3,(H3-,17,18,19,20);1H


name: Pelargonidin (Cation)
cas: 134-04-3
chebiid: CHEBI:25863
chemspiderid: 389676
formula: C15H11O5
inchikey: XVFMGWDSJLBXDZ-UHFFFAOYSA-O
norman_susdat_id: NS00004445
pubchem_cid: 440832
smiles: Oc1ccc(cc1)-c1[o+]c2cc(O)cc(O)c2cc1O
inchi:
InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)15-13(19)7-11-12(18)5-10(17)6-14(11)20-15/h1-7H,(H3-,16,17,18,19)/p+1


name: Menthyl anthranilate
cas: 134-09-8
chebiid: CHEBI:135974
chemspiderid: 8312
dtxsid: DTXSID3047895
formula: C17H25N1O2
inchikey: SOXAGEOHPCXXIO-UHFFFAOYSA-N
norman_susdat_id: NS00008634
pubchem_cid: 8633
smiles: CC(C)C1CCC(C)CC1OC(=O)c1ccccc1N
inchi:
InChI=1S/C17H25NO2/c1-11(2)13-9-8-12(3)10-16(13)20-17(19)14-6-4-5-7-15(14)18/h4-7,11-13,16H,8-10,18H2,1-3H3


name: 2-[(3S,5S,8S)-3,8-Dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl acetate
cas: 134-28-1
chemspiderid: 55033
dtxsid: DTXSID7051684
formula: C17H28O2
inchikey: DRFSOBZVMGLICQ-UHFFFAOYSA-N
norman_susdat_id: NS00012942
pubchem_cid: 61079
smiles: C[C@H]1CC[C@H](CC2=C1CC[C@@H]2C)C(C)(C)OC(C)=O
inchi:
InChI=1S/C17H28O2/c1-11-6-8-14(17(4,5)19-13(3)18)10-16-12(2)7-9-15(11)16/h11-12,14H,6-10H2,1-5H3/t11-,12-,14+/m0/s1


name: 8-hydroxyquinolinium citrate
cas: 134-30-5
formula: C9H7NO.C6H8O7
inchikey: QVUPDRMLSKEGIP-UHFFFAOYSA-N
norman_susdat_id: NS00079343
smiles: Oc1cccc2ccc[nH+]c12.Oc3cccc4ccc[nH+]c34.Oc5cccc6ccc[nH+]c56.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/3C9H7NO.C6H8O7/c3*11-8-5-1-3-7-4-2-6-10-9(7)8;7-3(8)1-6(13,5(11)12)2-4(9)10/h3*1-6,11H;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)


name: 4-Acetamido-5-hydroxy-2,7-naphthalenedisulfonic acid
cas: 134-34-9
chemspiderid: 58480
dtxsid: DTXSID2059641
formula: C12H11N1O8S2
inchikey: DACUJXBUANTBKE-UHFFFAOYSA-N
norman_susdat_id: NS00024340
pubchem_cid: 64955
smiles: CC(=O)Nc1cc(cc2cc(cc(O)c12)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1S/C12H11NO8S2/c1-6(14)13-10-4-8(22(16,17)18)2-7-3-9(23(19,20)21)5-11(15)12(7)10/h2-5,15H,1H3,(H,13,14)(H,16,17,18)(H,19,20,21)


name: 5-Methyltetrahydrofolic acid
cas: 134-35-0
chebiid: CHEBI:136009
chemspiderid: 388371
formula: C20H25N7O6
inchikey: ZNOVTXRBGFNYRX-STQMWFEESA-N
norman_susdat_id: NS00014759
pubchem_cid: 444412
smiles: O=C(O)C(NC(=O)c1ccc(cc1)NCC3N(/C2=C(/N/C(=NC2=O)N)NC3)C)CCC(=O)O
inchi:
InChI=1S/C20H25N7O6/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31)/t12-,13-/m0/s1


name: Erythromycin propionate
cas: 134-36-1
chebiid: CHEBI:48913
chemspiderid: 64402
dtxsid: DTXSID9022994
formula: C40H71N1O14
inchikey: TYQXKHPOXXXCTP-CSLYCKPJSA-N
norman_susdat_id: NS00011666
pubchem_cid: 71277
inchi:
InChI=1S/C40H71NO14/c1-15-27-40(11,48)33(44)22(5)30(43)20(3)18-38(9,47)35(55-37-32(53-28(42)16-2)26(41(12)13)17-21(4)50-37)23(6)31(24(7)36(46)52-27)54-29-19-39(10,49-14)34(45)25(8)51-29/h20-27,29,31-35,37,44-45,47-48H,15-19H2,1-14H3/t20-,21-,22+,23+,24-,25+,26+,27-,29+,31+,32-,33-,34+,35-,37+,38-,39-,40-/m1/s1

smiles:
CC[C@@H]1[C@@]([C@@H]([C@H](C(=O)[C@@H](C[C@@]([C@@H]([C@H]([C@@H]([C@H](C(=O)O1)C)O[C@H]2C[C@@]([C@H]([C@@H](O2)C)O)(C)OC)C)O[C@H]3[C@@H]([C@H](C[C@H](O3)C)N(C)C)OC(=O)CC)(C)O)C)C)O)(C)O


name: 7,7'-(Carbonyldiimino)bis[4-hydroxy-2-naphthalenesulfonic acid]
cas: 134-47-4
chemspiderid: 60588
dtxsid: DTXSID7059642
formula: C21H16N2O9S2
inchikey: PCGISRHGYLRXSR-UHFFFAOYSA-N
norman_susdat_id: NS00021612
pubchem_cid: 67254
smiles: Oc1c2ccc(NC(=O)Nc3cc4cc(cc(O)c4cc3)S(=O)(=O)O)cc2cc(c1)S(=O)(=O)O
inchi:
InChI=1S/C21H16N2O9S2/c24-19-9-15(33(27,28)29)7-11-5-13(1-3-17(11)19)22-21(26)23-14-2-4-18-12(6-14)8-16(10-20(18)25)34(30,31)32/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32)


name: Lobeline hydrochloride
cas: 134-63-4
formula: C22H27NO2.ClH
inchikey: MKMYPTLXLWOUSO-NFQNBQCWSA-N
norman_susdat_id: NS00079581
smiles: Cl.CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c3ccccc3
inchi:
InChI=1/C22H27NO2.ClH/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;/h2-7,9-12,19-21,24H,8,13-16H2,1H3;1H


name: Lobeline sulphate
cas: 134-64-5
formula: C22H27NO2.1/2H2O4S
inchikey: BEDBXOIWRNCGAU-NFQNBQCWSA-N
norman_susdat_id: NS00079167
smiles: CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c3ccccc3.OS(=O)(=O)O
inchi:
InChI=1/C22H27NO2.H2O4S/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;1-5(2,3)4/h2-7,9-12,19-21,24H,8,13-16H2,1H3;(H2,1,2,3,4)


name: 4,4'-Bis(diethylamino)benzhydryl alcohol
cas: 134-91-8
chemspiderid: 60591
dtxsid: DTXSID00158454
formula: C21H30N2O1
inchikey: WCIQBUVXZZYFJP-UHFFFAOYSA-N
norman_susdat_id: NS00024364
pubchem_cid: 67257
smiles: CCN(CC)c1ccc(cc1)C(O)c1ccc(cc1)N(CC)CC
inchi:
InChI=1S/C21H30N2O/c1-5-22(6-2)19-13-9-17(10-14-19)21(24)18-11-15-20(16-12-18)23(7-3)8-4/h9-16,21,24H,5-8H2,1-4H3


name: 9-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-3-O-phosphonopentofuranosyl}-9H-purin-6-amine
cas: 13400-10-7
dtxsid: DTXSID90928385
formula: C10H16N5O13P3
inchikey: GBBWIZKLHXYJOA-KQYNXXCUSA-N
norman_susdat_id: NS00070891
pubchem_cid: 128882
smiles: Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O
inchi:
InChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7(27-29(17,18)19)4(26-10)1-25-31(23,24)28-30(20,21)22/h2-4,6-7,10,16H,1H2,(H,23,24)(H2,11,12,13)(H2,17,18,19)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1


name: Acetylpheneturide
cas: 13402-08-9
chebiid: CHEBI:31166
chemspiderid: 1922
dtxsid: DTXSID8048789
formula: C13H16N2O3
inchikey: GBPZSCQLDXUGNO-UHFFFAOYSA-N
norman_susdat_id: NS00010539
pubchem_cid: 1999
smiles: CCC(C1=CC=CC=C1)C(=O)NC(=O)NC(=O)C
inchi:
InChI=1S/C13H16N2O3/c1-3-11(10-7-5-4-6-8-10)12(17)15-13(18)14-9(2)16/h4-8,11H,3H2,1-2H3,(H2,14,15,16,17,18)


name: Acetic acid, [2,4-bis(1,1-dimethylpropyl)phenoxy]-
cas: 13402-96-5
chemspiderid: 75265
dtxsid: DTXSID5065435
formula: C18H28O3
inchikey: QXQMENSTZKYZCE-UHFFFAOYSA-N
norman_susdat_id: NS00024322
pubchem_cid: 83411
smiles: CCC(C)(C)c1cc(c(OCC(=O)[O-])cc1)C(C)(C)CC
inchi:
InChI=1S/C18H28O3/c1-7-17(3,4)13-9-10-15(21-12-16(19)20)14(11-13)18(5,6)8-2/h9-11H,7-8,12H2,1-6H3,(H,19,20)


name: 2-[2,4-bis(tert-pentyl)phenoxy]butyric acid
cas: 13403-01-5
dtxsid: DTXSID50864396
formula: C20H32O3
inchikey: PHCYXPLSQNMCRY-UHFFFAOYSA-N
norman_susdat_id: NS00054334
pubchem_cid: 625983
smiles: O=C(O)C(OC1=CC=C(C=C1C(C)(C)CC)C(C)(C)CC)CC
inchi:
InChI=1/C20H32O3/c1-8-16(18(21)22)23-17-12-11-14(19(4,5)9-2)13-15(17)20(6,7)10-3/h11-13,16H,8-10H2,1-7H3,(H,21,22)


cas: 134035-61-3
dtxsid: DTXSID80882841
norman_susdat_id: NS00111674
name:
Poly[oxy[trifluoro(trifluoromethyl)-1,2-ethanediyl]], .alpha.-[1,2,2,2-tetrafluoro-1-(methoxycarbonyl)ethyl]-.omega.-[tetrafluoro(trifluoromethyl)ethoxy]-


name: (11-(F-Hexyl)undecyl) dimorpholinophosphoramidate
cas: 134051-91-5
chebiid: CHEBI:38827
dtxsid: DTXSID20158476
formula: C25H38F13N2O4P
inchikey: NENILPRVDJSLAG-UHFFFAOYSA-N
norman_susdat_id: NS00109491
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCOP(=O)(N1CCOCC1)N1CCOCC1
inchi:
InChI=1S/C25H38F13N2O4P/c26-20(27,21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)38)10-8-6-4-2-1-3-5-7-9-15-44-45(41,39-11-16-42-17-12-39)40-13-18-43-19-14-40/h1-19H2


name: (11-(F-Octyl)undecyl) dimorpholinophosphoramidate
cas: 134051-92-6
chebiid: CHEBI:38790
dtxsid: DTXSID80158477
formula: C27H38F17N2O4P
inchikey: SIGZHCRJKAFRED-UHFFFAOYSA-N
norman_susdat_id: NS00111556
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCOP(=O)(N1CCOCC1)N1CCOCC1
inchi:
InChI=1S/C27H38F17N2O4P/c28-20(29,21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)26(40,41)27(42,43)44)10-8-6-4-2-1-3-5-7-9-15-50-51(47,45-11-16-48-17-12-45)46-13-18-49-19-14-46/h1-19H2


name: 12,12,13,13,14,14,15,15,16,16,17,17,17-Tridecafluoroheptadecan-1-ol
cas: 134052-01-0
dtxsid: DTXSID80895411
formula: C17H23F13O
inchikey: LUTLJOIFXGWROU-UHFFFAOYSA-N
norman_susdat_id: NS00111733
smiles: OCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C17H23F13O/c18-12(19,10-8-6-4-2-1-3-5-7-9-11-31)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h31H,1-11H2


cas: 1340593-59-0
formula: C23H16F7N5O2
inchikey: IDUYJRXRDSPPRC-NRFANRHFSA-N
norman_susdat_id: NS00073475
pubchem_cid: 77050711
smiles: O[C@@](Cn1cnnn1)(c1ccc(F)cc1F)C(F)(F)c1ccc(-c2ccc(OCC(F)(F)F)cc2)cn1
name:
2-(2,4-difluorophenyl)-1,1-difluoro-3-(1h-1,2,3,4-tetrazol-1-yl)-1-{5-[4-(2,2,2-trifluoroethoxy)phenyl]pyridin-2-yl}propan-2-ol

inchi:
InChI=1S/C23H16F7N5O2/c24-16-4-7-18(19(25)9-16)21(36,11-35-13-32-33-34-35)23(29,30)20-8-3-15(10-31-20)14-1-5-17(6-2-14)37-12-22(26,27)28/h1-10,13,36H,11-12H2/t21-/m0/s1


cas: 134071-44-6
chemspiderid: 8565995
formula: C21H20Cl2N2O5S1
inchikey: WAXNIYHZFWRPGS-UHFFFAOYSA-N
norman_susdat_id: NS00005698
pubchem_cid: 10390553
smiles: Cc1ccc(cc1)S(=O)(=O)OCC1COC(Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl
name:
1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, 4-methylbenzenesulfonate (ester), (2R,4R)-rel-

inchi:
InChI=1S/C21H20Cl2N2O5S/c1-15-2-5-18(6-3-15)31(26,27)29-12-17-11-28-21(30-17,13-25-9-8-24-14-25)19-7-4-16(22)10-20(19)23/h2-10,14,17H,11-13H2,1H3


name: Ponasterone A
cas: 13408-56-5
chemspiderid: 3680495
dtxsid: DTXSID0040595
formula: C27H44O6
inchikey: PJYYBCXMCWDUAZ-UHFFFAOYSA-N
norman_susdat_id: NS00004796
pubchem_cid: 4482619
smiles: CC(C)CCC(O)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C
inchi:
InChI=1S/C27H44O6/c1-15(2)6-7-23(31)26(5,32)22-9-11-27(33)17-12-19(28)18-13-20(29)21(30)14-24(18,3)16(17)8-10-25(22,27)4/h12,15-16,18,20-23,29-33H,6-11,13-14H2,1-5H3


name: Fenpyroximate
cas: 134098-61-6
chebiid: CHEBI:5011
chemspiderid: 7850857
dtxsid: DTXSID7032557
formula: C24H27N3O4
inchikey: YYJNOYZRYGDPNH-MFKUBSTISA-N
norman_susdat_id: NS00002695
pubchem_cid: 9576412
smiles: Cc1nn(C)c(Oc2ccccc2)c1C=NOCc1ccc(cc1)C(=O)OC(C)(C)C
eea_notation: CAS_134098-61-6
inchi:
InChI=1S/C24H27N3O4/c1-17-21(22(27(5)26-17)30-20-9-7-6-8-10-20)15-25-29-16-18-11-13-19(14-12-18)23(28)31-24(2,3)4/h6-15H,16H2,1-5H3/b25-15+


name: Mannitan, monohexadecanoate
cas: 1341-81-7
dtxsid: DTXSID30928440
formula: C22H42O6
inchikey: ZRAUKFCDNIBNCO-UHFFFAOYSA-N
norman_susdat_id: NS00044803
pubchem_cid: NA
smiles: O=C(OC1COC(C(O)CO)C1O)CCCCCCCCCCCCCCC
inchi:
InChI=1/C22H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(25)28-19-17-27-22(21(19)26)18(24)16-23/h18-19,21-24,26H,2-17H2,1H3


name: 2,2'-[(1-methylethylidene)bis(cyclohexane-4,1-diyloxymethylene)]bisoxirane
cas: 13410-58-7
dtxsid: DTXSID10928443
formula: C21H36O4
inchikey: GZPRASLJQIBVDP-UHFFFAOYSA-N
norman_susdat_id: NS00053858
pubchem_cid: 114514
smiles: O1CC1COC2CCC(CC2)C(C)(C)C3CCC(OCC4OC4)CC3
inchi:
InChI=1/C21H36O4/c1-21(2,15-3-7-17(8-4-15)22-11-19-13-24-19)16-5-9-18(10-6-16)23-12-20-14-25-20/h15-20H,3-14H2,1-2H3


cas: 134127-48-3
chemspiderid: 16144798
formula: C40H40Cl1N2
inchikey: LQVQHHTYXSPHSQ-UHFFFAOYSA-M
norman_susdat_id: NS00020577
pubchem_cid: NA
name:
1H-Benz[e]indolium, 2-[2-[2-chloro-3-[(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,1,3-trimethyl-, salt with 4-methylbenzenesulfonic acid (1:1)

inchi:
InChI=1S/C40H40ClN2/c1-39(2)34(42(5)32-22-18-26-12-7-9-16-30(26)36(32)39)24-20-28-14-11-15-29(38(28)41)21-25-35-40(3,4)37-31-17-10-8-13-27(31)19-23-33(37)43(35)6/h7-10,12-13,16-25H,11,14-15H2,1-6H3/q+1

smiles:
Cc1ccc(cc1)S(=O)(=O)[O-].CC1(c2c3ccccc3ccc2[N+](=C1/C=C/C4=C(/C(=C/C=C/5C(c6c7ccccc7ccc6N5C)(C)C)/CCC4)Cl)C)C


name: Hexaoctyldistannathiane
cas: 13413-18-8
dtxsid: DTXSID90158544
formula: C48H102SSn2
inchikey: AXIPKWBIXSFROG-UHFFFAOYSA-N
norman_susdat_id: NS00055180
pubchem_cid: 16683005
smiles: S([Sn](CCCCCCCC)(CCCCCCCC)CCCCCCCC)[Sn](CCCCCCCC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/6C8H17.S.2Sn/c6*1-3-5-7-8-6-4-2;;;/h6*1,3-8H2,2H3;;;/rC48H102SSn2/c1-7-13-19-25-31-37-43-50(44-38-32-26-20-14-8-2,45-39-33-27-21-15-9-3)49-51(46-40-34-28-22-16-10-4,47-41-35-29-23-17-11-5)48-42-36-30-24-18-12-6/h7-48H2,1-6H3


cas: 13416-17-6
dtxsid: DTXSID00884600
formula: C37H37N2O4
inchikey: ZJLZKBRBTKTKHW-UHFFFAOYSA-M
norman_susdat_id: NS00054254
pubchem_cid: NA
smiles: [I-].O1C=2C=CC(=CC2N(C1=CC(=CC=3OC4=CC=C(C=C4[N+]3CCOC)C=5C=CC=CC5)CC)CCOC)C=6C=CC=CC6
name:
3-(2-methoxyethyl)-2-[2-[[3-(2-methoxyethyl)-5-phenyl-3H-benzoxazol-2-ylidene]methyl]but-1-enyl]-5-phenylbenzoxazolium iodide

inchi:
InChI=1/C37H37N2O4.HI/c1-4-27(23-36-38(19-21-40-2)32-25-30(15-17-34(32)42-36)28-11-7-5-8-12-28)24-37-39(20-22-41-3)33-26-31(16-18-35(33)43-37)29-13-9-6-10-14-29;/h5-18,23-26H,4,19-22H2,1-3H3;1H/q+1;/p-1


name: Perfluorooctane sulfonamido amine
cas: 13417-01-1
chemspiderid: 75274
dtxsid: DTXSID9065443
formula: C13H13F17N2O2S1
inchikey: MSJXTBMNRCTIDR-UHFFFAOYSA-N
norman_susdat_id: NS00011326
pubchem_cid: 83421
smiles: C(N[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCN(C)C
inchi:
InChI=1S/C13H13F17N2O2S/c1-32(2)5-3-4-31-35(33,34)13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28/h31H,3-5H2,1-2H3


name: N-(4-chloro-o-tolyl)-2-[(4-methyl-2-nitrophenyl)azo]-3-oxobutyramide
cas: 13418-35-4
formula: C18H18ClN4O4
inchikey: YKGFGBOGVZQVNV-UHFFFAOYSA-N
norman_susdat_id: NS00054271
pubchem_cid: NA
smiles: O=C(NC1=CC=C(Cl)C=C1C)C(N=NC2=CC=C(C=C2[N+](=O)[O-])C)C(=O)C
inchi:
InChI=1/C18H17ClN4O4/c1-10-4-6-15(16(8-10)23(26)27)21-22-17(12(3)24)18(25)20-14-7-5-13(19)9-11(14)2/h4-9,17H,1-3H3,(H,20,25)


name: 1H-Naphth[2,3-f]isoindole-1,5,10-trione, 4,11-diamino-2,3-dihydro-3-imino-2-(3-methoxypropyl)-
cas: 13418-49-0
chemspiderid: 75277
dtxsid: DTXSID4065444
formula: C20H18N4O4
inchikey: ZCMWRFQVYXHUQN-UHFFFAOYSA-N
norman_susdat_id: NS00020382
pubchem_cid: 83424
smiles: COCCCn1c(=N)c2c(N)c3c(c(N)c2c1=O)c(=O)c1c(cccc1)c3=O
inchi:
InChI=1S/C20H18N4O4/c1-28-8-4-7-24-19(23)13-14(20(24)27)16(22)12-11(15(13)21)17(25)9-5-2-3-6-10(9)18(12)26/h2-3,5-6,23H,4,7-8,21-22H2,1H3/b23-19-


cas: 134180-76-0
norman_susdat_id: NS00076109
name:
Oxirane, 2-methyl-, polymer with oxirane, mono[3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]-1-disiloxanyl]propyl] ether


name: (decanoato-O)oxoaluminium
cas: 13419-09-5
formula: C10H19AlO3
inchikey: PTEMJYUCBRQHAL-UHFFFAOYSA-M
norman_susdat_id: NS00087229
smiles: CCCCCCCCCC(=O)O[Al]=O
inchi:
InChI=1/C10H20O2.Al.O/c1-2-3-4-5-6-7-8-9-10(11)12;;/h2-9H2,1H3,(H,11,12);;/q;+1;/p-1/rC10H19AlO3/c1-2-3-4-5-6-7-8-9-10(12)14-11-13/h2-9H2,1H3


name: (hexadecanoato-O)oxoaluminium
cas: 13419-10-8
formula: C16H31AlO3
inchikey: BLFLAXWCJFYPPR-UHFFFAOYSA-M
norman_susdat_id: NS00087249
smiles: CCCCCCCCCCCCCCCC(=O)O[Al]=O
inchi:
InChI=1/C16H32O2.Al.O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;;/h2-15H2,1H3,(H,17,18);;/q;+1;/p-1/rC16H31AlO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(18)20-17-19/h2-15H2,1H3


name: (octadecanoato-O)oxoaluminium
cas: 13419-15-3
formula: C18H35AlO3
inchikey: PKPWVTWTIKKOMC-UHFFFAOYSA-M
norman_susdat_id: NS00086888
smiles: CCCCCCCCCCCCCCCCCC(=O)O[Al]=O
inchi:
InChI=1/C18H36O2.Al.O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;/h2-17H2,1H3,(H,19,20);;/q;+1;/p-1/rC18H35AlO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(20)22-19-21/h2-17H2,1H3


name: Benzene, (1-methylpentadecyl)-
cas: 13419-16-4
dtxsid: DTXSID40341146
formula: C22H38
inchikey: ZUXDORPHXZKYTN-UHFFFAOYSA-N
norman_susdat_id: NS00095926
smiles: CCCCCCCCCCCCCCC(C)C1=CC=CC=C1
inchi:
InChI=1S/C22H38/c1-3-4-5-6-7-8-9-10-11-12-13-15-18-21(2)22-19-16-14-17-20-22/h14,16-17,19-21H,3-13,15,18H2,1-2H3


name: Potassium tetradecyl sulphate
cas: 13419-37-9
formula: C14H30O4S.K
inchikey: DQFWABVCOIFBPO-UHFFFAOYSA-M
norman_susdat_id: NS00087250
smiles: [K+].CCCCCCCCCCCCCCOS(=O)(=O)[O-]
inchi:
InChI=1/C14H30O4S.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H,15,16,17);/q;+1/p-1


name: CI 24790
cas: 13421-53-9
chemspiderid: 10143757
formula: C44H36N4O12S3
inchikey: GZCRHFBJOMSAPP-BCUHICPISA-N
norman_susdat_id: NS00013492
pubchem_cid: NA
inchi:
InChI=1S/C44H36N4O12S3.2Na/c49-33-19-9-27-23-38(61(52,53)54)40(42(50)36(27)25-33)47-45-31-15-11-29(12-16-31)44(21-5-2-6-22-44)30-13-17-32(18-14-30)46-48-41-39(62(55,56)57)24-28-10-20-34(26-37(28)43(41)51)60-63(58,59)35-7-3-1-4-8-35;;/h1,3-4,7-20,23-26,45-47H,2,5-6,21-22H2,(H,52,53,54)(H,55,56,57);;/q;2*+1/p-2/b48-41-;;

smiles:
[Na+].[Na+].[O-][S](=O)(=O)C1=C(NNc2ccc(cc2)C3(CCCCC3)c4ccc(NN=C5C(=O)c6cc(O[S](=O)(=O)c7ccccc7)ccc6C=C5[S]([O-])(=O)=O)cc4)C(=O)C8=CC(=O)C=CC8=C1


name: Hydroxocobalamin
cas: 13422-51-0
dtxsid: DTXSID60897433
formula: C62H92CoN13O15P
inchikey: LEQOJXIJRQBBQU-TXAVSEIZSA-K
norman_susdat_id: NS00076370
inchi:
InChI=1S/C62H90N13O14P.Co.H2O.3H/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;;;;;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);;1H2;;;/q;+3;;;;/p-3/t31-,34-,35-,36-,37+,41-,52-,53-,56-,57+,59-,60+,61+,62+;;;;;/m1...../s1

smiles:
[OH-].[CoH3+3].[H][C@]1(CO)O[C@@]([H])([C@H](O)[C@]1([H])OP([O-])(=O)O[C@H](C)CNC(=O)CC[C@@]1(C)C2=C(C)C3=NC(=C/C4=N/C(=C(C)C5=N[C@@](C)([C@]([H])([N-]2)[C@]1([H])CC(N)=O)[C@@](C)(CC(N)=O)[C@]5([H])CCC(N)=O)/[C@@](C)(CC(N)=O)[C@]4([H])CCC(N)=O)C(C)(C)[C@]3([H])CCC(N)=O)N1C=NC2=C1C=C(C)C(C)=C2


name: Heptyltriphenylphosphonium bromide
cas: 13423-48-8
dtxsid: DTXSID10928524
formula: C25H30P
inchikey: WCZSOHSGMBVYFW-UHFFFAOYSA-M
norman_susdat_id: NS00055245
pubchem_cid: 2724567
smiles: [Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CCCCCCC
inchi:
InChI=1/C25H30P.BrH/c1-2-3-4-5-15-22-26(23-16-9-6-10-17-23,24-18-11-7-12-19-24)25-20-13-8-14-21-25;/h6-14,16-21H,2-5,15,22H2,1H3;1H/q+1;/p-1


name: Tris(2-cyclohexylphenyl) phosphite
cas: 13423-78-4
dtxsid: DTXSID70928525
formula: C36H45O3P
inchikey: XUHUMYVYHLHMCD-UHFFFAOYSA-N
norman_susdat_id: NS00053910
pubchem_cid: 83433
smiles: O(C=1C=CC=CC1C2CCCCC2)P(OC=3C=CC=CC3C4CCCCC4)OC=5C=CC=CC5C6CCCCC6
inchi:
InChI=1/C36H45O3P/c1-4-16-28(17-5-1)31-22-10-13-25-34(31)37-40(38-35-26-14-11-23-32(35)29-18-6-2-7-19-29)39-36-27-15-12-24-33(36)30-20-8-3-9-21-30/h10-15,22-30H,1-9,16-21H2


name: alpha-Hexabromocyclododecane
cas: 134237-50-6
dtxsid: DTXSID00873771
formula: C12H18Br6
inchikey: DEIGXXQKDWULML-PQTSNVLCSA-N
norman_susdat_id: NS00076980
smiles: Br[C@H]1CC[C@@H](Br)[C@H](Br)CC[C@H](Br)[C@H](Br)CC[C@H]1Br
eea_notation: CAS_134237-50-6
inchi:
InChI=1/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2/t7-,8-,9+,10+,11-,12-/s2


name: beta-Hexabromocyclododecane
cas: 134237-51-7
dtxsid: DTXSID60873772
formula: C12H18Br6
inchikey: DEIGXXQKDWULML-UFVWWTPHSA-N
norman_susdat_id: NS00077087
smiles: Br[C@H]1CC[C@@H](Br)[C@@H](Br)CC[C@@H](Br)[C@H](Br)CC[C@H]1Br
eea_notation: CAS_134237-51-7
inchi:
InChI=1/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2/t7-,8-,9-,10+,11+,12-/s2


name: gamma-Hexabromocyclododecane
cas: 134237-52-8
dtxsid: DTXSID20873773
formula: C12H18Br6
inchikey: DEIGXXQKDWULML-MOCCIAMBSA-N
norman_susdat_id: NS00077006
smiles: Br[C@H]1CC[C@H](Br)[C@H](Br)CC[C@@H](Br)[C@H](Br)CC[C@H]1Br
eea_notation: CAS_134237-52-8
inchi:
InChI=1/C12H18Br6/c13-7-1-2-8(14)10(16)5-6-12(18)11(17)4-3-9(7)15/h7-12H,1-6H2/t7-,8-,9-,10+,11-,12+/s2


name: Nicotinoylprocaine
cas: 13424-56-1
chemspiderid: 140387
dtxsid: DTXSID50158606
formula: C19H23N3O3
inchikey: NTPIQBSWTZGMTC-UHFFFAOYSA-N
norman_susdat_id: NS00005638
pubchem_cid: 159667
smiles: CCN(CC)CCOC(=O)c1ccc(NC(=O)c2cccnc2)cc1
inchi:
InChI=1S/C19H23N3O3/c1-3-22(4-2)12-13-25-19(24)15-7-9-17(10-8-15)21-18(23)16-6-5-11-20-14-16/h5-11,14H,3-4,12-13H2,1-2H3,(H,21,23)


name: 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl nicotinate
cas: 13425-39-3
chebiid: CHEBI:135405
dtxsid: DTXSID30158609
formula: C15H15N5O4
inchikey: ZWIAODBBEZGVPY-UHFFFAOYSA-N
norman_susdat_id: NS00054360
pubchem_cid: 83435
smiles: O=C(OCCN1C=NC2=C1C(=O)N(C(=O)N2C)C)C=3C=NC=CC3
inchi:
InChI=1/C15H15N5O4/c1-18-12-11(13(21)19(2)15(18)23)20(9-17-12)6-7-24-14(22)10-4-3-5-16-8-10/h3-5,8-9H,6-7H2,1-2H3


name: 4,4'-(1,2-diethylethylene)diphenyl bis(dihydrogen phosphate)
cas: 13425-53-1
formula: C18H22O8P2
inchikey: NLORYLAYLIXTID-UHFFFAOYSA-N
norman_susdat_id: NS00087261
smiles: CCC(=C(CC)c1ccc(OP(=O)(O)O)cc1)c2ccc(OP(=O)(O)O)cc2
inchi:
InChI=1/C18H22O8P2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24)


cas: 1342795-11-2
inchikey: GBLIKXXJCNLGAQ-DYRCYMQWSA-I
norman_susdat_id: NS00078136
name:
pentasodium 3,3'-({6-[(2-sulfonatoethyl)amino]-1,3,5-triazine-2,4-diyl}bis{imino[2-chloro-5-(3-sulfonatopropoxy)-4,1-phenylene](E)diazene-2,1-diyl})bis(6-chlorobenzenesulfonate)

smiles:
S(=O)(=O)([O-])CCNC1=NC(=NC(=N1)NC1=CC(=C(C=C1OCCCS(=O)(=O)[O-])/N=N/C=1C=C(C(=CC1)Cl)S(=O)(=O)[O-])Cl)NC1=CC(=C(C=C1OCCCS(=O)(=O)[O-])/N=N/C=1C=C(C(=CC1)Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+].[Na+].[Na+]


name: 4-amino-5-chloro-2-methoxy-n-({1-[3-(1h-1,2,3-triazol-1-yl)propyl]piperidin-4-yl}methyl)benzamide
cas: 1342815-16-0
formula: C19H27ClN6O2
inchikey: AULLTYAISZREAX-UHFFFAOYSA-N
norman_susdat_id: NS00072967
pubchem_cid: 54575171
smiles: COc1cc(N)c(Cl)cc1C(=O)NCC1CCN(CCCn2ccnn2)CC1
inchi:
InChI=1S/C19H27ClN6O2/c1-28-18-12-17(21)16(20)11-15(18)19(27)22-13-14-3-8-25(9-4-14)6-2-7-26-10-5-23-24-26/h5,10-12,14H,2-4,6-9,13,21H2,1H3,(H,22,27)


name: (+)-CP 47,497
cas: 134308-14-8
formula: C21H34O2
inchikey: ZWWRREXSUJTKNN-UHFFFAOYSA-N
norman_susdat_id: NS00096445
smiles: CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(C2)O)O
inchi:
InChI=1S/C21H34O2/c1-4-5-6-7-13-21(2,3)17-11-12-19(20(23)15-17)16-9-8-10-18(22)14-16/h11-12,15-16,18,22-23H,4-10,13-14H2,1-3H3


name: α-Aspartylphenylalanine
cas: 13433-09-5
chebiid: CHEBI:73830
chemspiderid: 84028
formula: C13H16N2O5
inchikey: YZQCXOFQZKCETR-UWVGGRQHSA-N
norman_susdat_id: NS00014795
pubchem_cid: 93078
smiles: C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CC(=O)O)N
inchi:
InChI=1S/C13H16N2O5/c14-9(7-11(16)17)12(18)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,18)(H,16,17)(H,19,20)/t9-,10-/m0/s1


name: N-L-ß-aspartyl-3-phenyl-L-alanine
cas: 13433-10-8
formula: C13H16N2O5
inchikey: KDGAYJIGGCDHPH-UWVGGRQHSA-N
norman_susdat_id: NS00054343
pubchem_cid: 7020415
smiles: O=C(O)C(N)CC(=O)NC(C(=O)O)CC=1C=CC=CC1
inchi:
InChI=1/C13H16N2O5/c14-9(12(17)18)7-11(16)15-10(13(19)20)6-8-4-2-1-3-5-8/h1-5,9-10H,6-7,14H2,(H,15,16)(H,17,18)(H,19,20)


name: Tris(2,3-dibromopropyl) antimonate
cas: 13433-92-6
formula: C9H15Br6O3Sb
inchikey: RDQQCTFBXVAJSF-UHFFFAOYSA-N
norman_susdat_id: NS00087244
smiles: BrCC(Br)CO[Sb](=O)(OCC(Br)CBr)OCC(Br)CBr
inchi:
InChI=1/3C3H5Br2O.O.Sb/c3*4-1-3(5)2-6;;/h3*3H,1-2H2;;/q3*-1;;+3/rC9H15Br6O4Sb/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2


name: 5-Bromothienyldeoxyuridine
cas: 134333-70-3
dtxsid: DTXSID80928576
formula: C13H13BrN2O5S
inchikey: IGUZFFOBAZCVRK-VAOFZXAKSA-N
norman_susdat_id: NS00069228
pubchem_cid: 446725
smiles: O=c1[nH]c(=O)n([C@H]2C[C@H](O)[C@@H](CO)O2)cc1-c1ccc(Br)s1
inchi:
InChI=1S/C13H13BrN2O5S/c14-10-2-1-9(22-10)6-4-16(13(20)15-12(6)19)11-3-7(18)8(5-17)21-11/h1-2,4,7-8,11,17-18H,3,5H2,(H,15,19,20)/t7-,8+,11+/m0/s1


cas: 13434-00-9
dtxsid: DTXSID60928579
formula: C28H46O2
inchikey: NOOLKHUGCQHDQZ-UHFFFAOYSA-N
norman_susdat_id: NS00054344
pubchem_cid: 114520
smiles: O=C(OCC(CC)CCCC)C1(C)CCCC2(C)C3C(C=C(CC3)C(C)C)=CCC12
name:
2-ethylhexyl [1R-(1a,4aß,4ba,10aa)]-1,2,3,4,4a,4b,5,6,10,10a-decahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate

inchi:
InChI=1/C28H46O2/c1-7-9-11-21(8-2)19-30-26(29)28(6)17-10-16-27(5)24-14-12-22(20(3)4)18-23(24)13-15-25(27)28/h13,18,20-21,24-25H,7-12,14-17,19H2,1-6H3


name: Actinonin
cas: 13434-13-4
chemspiderid: 391756
formula: C19H35N3O5
inchikey: XJLATMLVMSFZBN-VYDXJSESSA-N
norman_susdat_id: NS00011711
pubchem_cid: 443600
smiles: CCCCC[C@H](CC(=O)NO)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CO
inchi:
InChI=1S/C19H35N3O5/c1-4-5-6-8-14(11-16(24)21-27)18(25)20-17(13(2)3)19(26)22-10-7-9-15(22)12-23/h13-15,17,23,27H,4-12H2,1-3H3,(H,20,25)(H,21,24)/t14-,15+,17+/m1/s1


name: 5,5,9,9-tetrabutyl-7-[(tributylstannyl)oxy]-6,8-dioxa-7-phospha-5,9-distannatridecane 7-oxide
cas: 13435-05-7
dtxsid: DTXSID50158666
formula: C36H81O4PSn3
inchikey: RZEWQIHMSVDERH-UHFFFAOYSA-K
norman_susdat_id: NS00054345
pubchem_cid: NA
smiles: O=P(O[Sn](CCCC)(CCCC)CCCC)(O[Sn](CCCC)(CCCC)CCCC)O[Sn](CCCC)(CCCC)CCCC
inchi:
InChI=1/9C4H9.H3O4P.3Sn/c9*1-3-4-2;1-5(2,3)4;;;/h9*1,3-4H2,2H3;(H3,1,2,3,4);;;/q;;;;;;;;;;3*+1/p-3/rC36H81O4PSn3/c1-10-19-28-42(29-20-11-2,30-21-12-3)38-41(37,39-43(31-22-13-4,32-23-14-5)33-24-15-6)40-44(34-25-16-7,35-26-17-8)36-27-18-9/h10-36H2,1-9H3


name: Dexelvucitabine
cas: 134379-77-4
dtxsid: DTXSID20158678
formula: C9H10FN3O3
inchikey: HSBKFSPNDWWPSL-CAHLUQPWSA-N
norman_susdat_id: NS00068087
pubchem_cid: 64973
smiles: Nc1nc(=O)n([C@H]2C=C[C@@H](CO)O2)cc1F
inchi:
InChI=1S/C9H10FN3O3/c10-6-3-13(9(15)12-8(6)11)7-2-1-5(4-14)16-7/h1-3,5,7,14H,4H2,(H2,11,12,15)/t5-,7+/m0/s1


cas: 134404-52-7
dtxsid: DTXSID60869837
formula: C30H46O3
inchikey: LVLLALCJVJNGQQ-VCEWRGPYSA-N
norman_susdat_id: NS00072873
pubchem_cid: 20055510
smiles: C=C1/C(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/C=C/C(O)(CC)CC)C[C@@H](O)C[C@@H]1O
name:
5-{2-[1-(7-ethyl-7-hydroxynona-3,5-dien-2-yl)-7a-methyl-octahydro-1h-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol

inchi:
InChI=1S/C30H46O3/c1-6-30(33,7-2)18-9-8-11-21(3)26-15-16-27-23(12-10-17-29(26,27)5)13-14-24-19-25(31)20-28(32)22(24)4/h8-9,11,13-14,18,21,25-28,31-33H,4,6-7,10,12,15-17,19-20H2,1-3,5H3/b11-8+,18-9+,23-13+,24-14+/t21-,25-,26-,27+,28+,29-/m1/s1


name: 1-(1-phenylpentyl) hydrogen camphorate
cas: 13445-75-5
formula: C21H30O4
inchikey: PZYBFENHRQSYMJ-UHFFFAOYSA-N
norman_susdat_id: NS00086936
smiles: CCCCC(OC(=O)C1(C)CCC(C(=O)O)C1(C)C)c2ccccc2
inchi:
InChI=1/C21H30O4/c1-5-6-12-17(15-10-8-7-9-11-15)25-19(24)21(4)14-13-16(18(22)23)20(21,2)3/h7-11,16-17H,5-6,12-14H2,1-4H3,(H,22,23)


name: Aluminium potassium silicate(3:1:3)
cas: 1345-02-4
formula: Al.H4O4Si.1/3K
inchikey: TXNHBPNXKRTKOJ-UHFFFAOYSA-N
norman_susdat_id: NS00080828
smiles: [AlH3].[AlH3].[AlH3].[KH].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-]
inchi:
InChI=1/3Al.K.3O3Si.10H/c;;;;3*1-4(2)3;;;;;;;;;;/q3*+3;+1;3*-2;;;;;;;;;;/r3AlH3.HK.3O3Si/c;;;;3*1-4(2)3/h3*1H3;1H;;;/q3*+3;+1;3*-2


name: Methyl 3-[(4-fluorobenzoyl)oxy]-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
cas: 134507-62-3
dtxsid: DTXSID10928640
formula: C17H20FNO4
inchikey: JRPRINGETIYVSV-LJISPDSOSA-N
norman_susdat_id: NS00068011
smiles: [H][C@@]12CC[C@@]([H])(N1C)[C@@]([H])(C(=O)OC)[C@]([H])(C2)OC(=O)C1=CC=C(F)C=C1
inchi:
InChI=1S/C17H20FNO4/c1-19-12-7-8-13(19)15(17(21)22-2)14(9-12)23-16(20)10-3-5-11(18)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14-,15+/m0/s1


name: Atorvastatin
cas: 134523-00-5
chebiid: CHEBI:39548
chemspiderid: 54810
dtxsid: DTXSID8029868
formula: C33H35F1N2O5
inchikey: XUKUURHRXDUEBC-KAYWLYCHSA-N
norman_susdat_id: NS00009054
pubchem_cid: 60823
smiles: CC(C)c1c(C(=O)Nc2ccccc2)c(c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(O)=O)-c1ccccc1
inchi:
InChI=1S/C33H35FN2O5/c1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40/h3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40)/t26-,27-/m1/s1


name: Atorvastatin calcium
cas: 134523-03-8
chebiid: CHEBI:50686
dtxsid: DTXSID6044303
formula: C66H68CaF2N4O10
inchikey: FQCKMBLVYCEXJB-MNSAWQCASA-L
norman_susdat_id: NS00075355
inchi:
InChI=1S/2C33H35FN2O5.Ca/c2*1-21(2)31-30(33(41)35-25-11-7-4-8-12-25)29(22-9-5-3-6-10-22)32(23-13-15-24(34)16-14-23)36(31)18-17-26(37)19-27(38)20-28(39)40;/h2*3-16,21,26-27,37-38H,17-20H2,1-2H3,(H,35,41)(H,39,40);/q;;+2/p-2/t2*26-,27-;/m11./s1

smiles:
[Ca++].CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1.CC(C)C1=C(C(=O)NC2=CC=CC=C2)C(=C(N1CC[C@@H](O)C[C@@H](O)CC([O-])=O)C1=CC=C(F)C=C1)C1=CC=CC=C1


name: Dilead pyrophosphate
cas: 13453-66-2
formula: H4O7P2.2Pb
inchikey: CDZXKKXSZAMHFU-UHFFFAOYSA-J
norman_susdat_id: NS00086574
smiles: [Pb+2].[Pb+2].[O-]P([O-])(=O)OP([O-])([O-])=O
inchi:
InChI=1/H4O7P2.2Pb.4H/c1-8(2,3)7-9(4,5)6;;;;;;/h(H2,1,2,3)(H2,4,5,6);;;;;;/q;2*+4;;;;/p-4/rH4O7P2.2H2Pb/c1-8(2,3)7-9(4,5)6;;/h(H2,1,2,3)(H2,4,5,6);2*1H2/q;2*+4/p-4


name: Pyrazophos
cas: 13457-18-6
chebiid: CHEBI:81942
chemspiderid: 24247
dtxsid: DTXSID7042352
formula: C14H20N3O5P1S1
inchikey: JOOMJVFZQRQWKR-UHFFFAOYSA-N
norman_susdat_id: NS00010879
pubchem_cid: 26033
smiles: CCOC(=O)C1=CN2N=C(OP(=S)(OCC)OCC)C=C2N=C1C
eea_notation: CAS_13457-18-6
inchi:
InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3


name: 4-[(2-chloro-4-nitrophenyl)azo]-3-methyl-1-phenyl-2-pyrazolin-5-one
cas: 13458-81-6
dtxsid: DTXSID10884611
formula: C16H13ClN5O3
inchikey: DQQZSKXVLOLAOF-UHFFFAOYSA-N
norman_susdat_id: NS00054075
pubchem_cid: 114527
smiles: O=C1N(N=C(C)C1N=NC2=CC=C(C=C2Cl)[N+](=O)[O-])C=3C=CC=CC3
inchi:
InChI=1/C16H12ClN5O3/c1-10-15(16(23)21(20-10)11-5-3-2-4-6-11)19-18-14-8-7-12(22(24)25)9-13(14)17/h2-9,15H,1H3


cas: 1345817-52-8
dtxsid: DTXSID50882712
norman_susdat_id: NS00110636
name:
Butanedioic acid, polymers, 2-methylene-, polymer with 2-hydroxyethyl 2-methyl-2-propenoate, 2-methyl-2-propenoic acid and 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methyl-2-propenoate, sodium salt


name: RCS-4-C4-homolog
cas: 1345966-77-9
chemspiderid: 29341521
formula: C20H21N1O2
inchikey: INTUAOVLJFCJIP-UHFFFAOYSA-N
norman_susdat_id: NS00017575
pubchem_cid: 57507905
smiles: CCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=C(C=C3)OC
inchi:
InChI=1S/C20H21NO2/c1-3-4-13-21-14-18(17-7-5-6-8-19(17)21)20(22)15-9-11-16(23-2)12-10-15/h5-12,14H,3-4,13H2,1-2H3


name: RCS-4
cas: 1345966-78-0
chemspiderid: 24769418
dtxsid: DTXSID70158820
formula: C21H23N1O2
inchikey: OZCYJKDWRUIFFE-UHFFFAOYSA-N
norman_susdat_id: NS00003351
pubchem_cid: 56841530
smiles: CCCCCn1cc(C(=O)c2ccc(OC)cc2)c2ccccc12
inchi:
InChI=1S/C21H23NO2/c1-3-4-7-14-22-15-19(18-8-5-6-9-20(18)22)21(23)16-10-12-17(24-2)13-11-16/h5-6,8-13,15H,3-4,7,14H2,1-2H3


name: RCS-8
cas: 1345970-42-4
chemspiderid: 24751863
dtxsid: DTXSID30158821
formula: C25H29N1O2
inchikey: BSQFBMXCQIKYNI-UHFFFAOYSA-N
norman_susdat_id: NS00017900
pubchem_cid: 53394099
smiles: COC1=CC=CC=C1CC(=O)C2=CN(C3=CC=CC=C32)CCC4CCCCC4
inchi:
InChI=1S/C25H29NO2/c1-28-25-14-8-5-11-20(25)17-24(27)22-18-26(23-13-7-6-12-21(22)23)16-15-19-9-3-2-4-10-19/h5-8,11-14,18-19H,2-4,9-10,15-17H2,1H3


name: 2-(2-Methoxyphenyl)-1-{1-[(1-methylpiperidin-2-yl)methyl]-1H-indol-3-yl}ethan-1-one
cas: 1345970-43-5
chemspiderid: 27330303
dtxsid: DTXSID90705471
formula: C24H28N2O2
inchikey: AJSBNWAHEDVQJT-UHFFFAOYSA-N
norman_susdat_id: NS00017738
pubchem_cid: 53494930
smiles: CN1CCCCC1CN2C=C(C3=CC=CC=C32)C(=O)CC4=CC=CC=C4OC
inchi:
InChI=1S/C24H28N2O2/c1-25-14-8-7-10-19(25)16-26-17-21(20-11-4-5-12-22(20)26)23(27)15-18-9-3-6-13-24(18)28-2/h3-6,9,11-13,17,19H,7-8,10,14-16H2,1-2H3


name: AB-001
cas: 1345973-49-0
chemspiderid: 26286891
dtxsid: DTXSID90158822
formula: C24H31N1O1
inchikey: SHWDYCMMUPPWQM-UHFFFAOYSA-N
norman_susdat_id: NS00017656
pubchem_cid: 57404070
smiles: CCCCCN1C=C(C2=CC=CC=C21)C(=O)C34CC5CC(C3)CC(C5)C4
inchi:
InChI=1S/C24H31NO/c1-2-3-6-9-25-16-21(20-7-4-5-8-22(20)25)23(26)24-13-17-10-18(14-24)12-19(11-17)15-24/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3


name: 1-Pentyl-N-(tricyclo[3.3.1.1~3,7~]decan-1-yl)-1H-indole-3-carboxamide
cas: 1345973-50-3
chemspiderid: 29341717
dtxsid: DTXSID80745427
formula: C24H32N2O1
inchikey: MDJYHWLDDJBTMX-UHFFFAOYSA-N
norman_susdat_id: NS00018073
pubchem_cid: 71308155
smiles: CCCCCN1C=C(C2=CC=CC=C21)C(=O)NC34CC5CC(C3)CC(C5)C4
inchi:
InChI=1S/C24H32N2O/c1-2-3-6-9-26-16-21(20-7-4-5-8-22(20)26)23(27)25-24-13-17-10-18(14-24)12-19(11-17)15-24/h4-5,7-8,16-19H,2-3,6,9-15H2,1H3,(H,25,27)


name: AKB48
cas: 1345973-53-6
chemspiderid: 28189076
formula: C23H31N3O1
inchikey: UCTCCIPCJZKWEZ-UHFFFAOYSA-N
norman_susdat_id: NS00017903
pubchem_cid: 57404063
smiles: CCCCCN1C2=CC=CC=C2C(=N1)C(=O)NC34CC5CC(C3)CC(C5)C4
inchi:
InChI=1S/C23H31N3O/c1-2-3-6-9-26-20-8-5-4-7-19(20)21(25-26)22(27)24-23-13-16-10-17(14-23)12-18(11-16)15-23/h4-5,7-8,16-18H,2-3,6,9-15H2,1H3,(H,24,27)


cas: 1345982-69-5
formula: C28H38N2O7S
inchikey: CZGVOBIGEBDYTP-VSGBNLITSA-N
norman_susdat_id: NS00073125
pubchem_cid: 53492727
smiles: CCCC[C@]1(CC)CS(=O)(=O)c2cc(CNC(CC(=O)O)CC(=O)O)c(OC)cc2[C@@H](c2ccccc2)N1
name:
3-{[(3-butyl-3-ethyl-7-methoxy-1,1-dioxo-5-phenyl-2,3,4,5-tetrahydro-1??,4-benzothiazepin-8-yl)methyl]amino}pentanedioic acid

inchi:
InChI=1S/C28H38N2O7S/c1-4-6-12-28(5-2)18-38(35,36)24-13-20(17-29-21(14-25(31)32)15-26(33)34)23(37-3)16-22(24)27(30-28)19-10-8-7-9-11-19/h7-11,13,16,21,27,29-30H,4-6,12,14-15,17-18H2,1-3H3,(H,31,32)(H,33,34)/t27-,28-/m1/s1


name: Theodrenaline
cas: 13460-98-5
chebiid: CHEBI:135580
chemspiderid: 64874
formula: C17H21N5O5
inchikey: WMCMJIGLYZDKRN-UHFFFAOYSA-N
norman_susdat_id: NS00008078
pubchem_cid: 71857
smiles: Cn1c2ncn(CCNCC(O)c3ccc(O)c(O)c3)c2c(=O)n(C)c1=O
inchi:
InChI=1S/C17H21N5O5/c1-20-15-14(16(26)21(2)17(20)27)22(9-19-15)6-5-18-8-13(25)10-3-4-11(23)12(24)7-10/h3-4,7,9,13,18,23-25H,5-6,8H2,1-2H3


name: Butafenacil
cas: 134605-64-4
chebiid: CHEBI:143863
chemspiderid: 10001509
dtxsid: DTXSID9034365
formula: C20H18Cl1F3N2O6
inchikey: JEDYYFXHPAIBGR-UHFFFAOYSA-N
norman_susdat_id: NS00006629
pubchem_cid: 11826859
smiles: Cn1c(cc(=O)n(-c2ccc(Cl)c(c2)C(=O)OC(C)(C)C(=O)OCC=C)c1=O)C(F)(F)F
inchi:
InChI=1S/C20H18ClF3N2O6/c1-5-8-31-17(29)19(2,3)32-16(28)12-9-11(6-7-13(12)21)26-15(27)10-14(20(22,23)24)25(4)18(26)30/h5-7,9-10H,1,8H2,2-4H3


name: Aceprometazine
cas: 13461-01-3
chebiid: CHEBI:53770
chemspiderid: 24249
formula: C19H22N2O1S1
inchikey: XLOQNFNTQIRSOX-UHFFFAOYSA-N
norman_susdat_id: NS00001288
pubchem_cid: 26035
smiles: CC(CN1C2=CC=CC=C2SC3=C1C=C(C=C3)C(=O)C)N(C)C
inchi:
InChI=1S/C19H22N2OS/c1-13(20(3)4)12-21-16-7-5-6-8-18(16)23-19-10-9-15(14(2)22)11-17(19)21/h5-11,13H,12H2,1-4H3


name: Reveromycin A
cas: 134615-37-5
chemspiderid: 8115180
formula: C36H52O11
inchikey: ZESGNAJSBDILTB-OXVOKJAASA-N
norman_susdat_id: NS00011829
pubchem_cid: 9939559
inchi:
InChI=1S/C36H52O11/c1-6-7-19-35(47-34(44)17-16-32(40)41)21-22-36(46-30(35)14-10-25(3)23-33(42)43)20-18-27(5)29(45-36)13-9-24(2)8-12-28(37)26(4)11-15-31(38)39/h8-12,14-15,23,26-30,37H,6-7,13,16-22H2,1-5H3,(H,38,39)(H,40,41)(H,42,43)/b12-8+,14-10+,15-11+,24-9+,25-23+/t26-,27-,28-,29+,30-,35+,36-/m0/s1

smiles:
CCCC[C@]1(CC[C@]2(CC[C@@H]([C@H](O2)C/C=C(C)/C=C/[C@@H]([C@@H](C)/C=C/C(=O)O)O)C)O[C@H]1/C=C/C(=C/C(=O)O)/C)OC(=O)CCC(=O)O


cas: 1346175-94-7
dtxsid: DTXSID40896388
formula: C12H10F14O4S2
inchikey: HPDVSLLEEOBGCU-UHFFFAOYSA-N
norman_susdat_id: NS00110448
smiles: FC(F)(F)C(F)(CCC1S(=O)(=O)C(CCC(F)(C(F)(F)F)C(F)(F)F)S1(=O)=O)C(F)(F)F
name:
2,4-Bis[3,4,4,4-tetrafluoro-3-(trifluoromethyl)butyl]-1lambda~6~,3lambda~6~-dithietane-1,1,3,3-tetrone

inchi:
InChI=1S/C12H10F14O4S2/c13-7(9(15,16)17,10(18,19)20)3-1-5-31(27,28)6(32(5,29)30)2-4-8(14,11(21,22)23)12(24,25)26/h5-6H,1-4H2


cas: 1346242-81-6
formula: C25H30N6O2
inchikey: OLAHOMJCDNXHFI-UHFFFAOYSA-N
norman_susdat_id: NS00073477
pubchem_cid: 67462786
smiles: COc1cc(OC)cc(N(CCNC(C)C)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
name:
{2-[(3,5-dimethoxyphenyl)[3-(1-methyl-1h-pyrazol-4-yl)quinoxalin-6-yl]amino]ethyl}(propan-2-yl)amine

inchi:
InChI=1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3


name: Eriocitrin
cas: 13463-28-0
chebiid: CHEBI:28709
chemspiderid: 2801953
formula: C27H32O15
inchikey: OMQADRGFMLGFJF-MNPJBKLOSA-N
norman_susdat_id: NS00015084
pubchem_cid: 83489
smiles: CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=O)CC(OC4=C3)C5=CC(=C(C=C5)O)O)O)O)O)O)O)O)O
inchi:
InChI=1S/C27H32O15/c1-9-20(32)22(34)24(36)26(39-9)38-8-18-21(33)23(35)25(37)27(42-18)40-11-5-14(30)19-15(31)7-16(41-17(19)6-11)10-2-3-12(28)13(29)4-10/h2-6,9,16,18,20-30,32-37H,7-8H2,1H3/t9-,16-,18+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1


name: 1-[[3-methyl-4-[(2-methylphenyl)azo]phenyl]azo]-2-naphthol
cas: 13463-64-4
formula: C24H20N4O
inchikey: MADKRIPAQOHGQU-UHFFFAOYSA-N
norman_susdat_id: NS00054076
pubchem_cid: 3014742
smiles: OC=1C=CC=2C=CC=CC2C1N=NC3=CC=C(N=NC=4C=CC=CC4C)C(=C3)C
inchi:
InChI=1/C24H20N4O/c1-16-7-3-6-10-21(16)26-27-22-13-12-19(15-17(22)2)25-28-24-20-9-5-4-8-18(20)11-14-23(24)29/h3-15,29H,1-2H3


name: Calcium abietate
cas: 13463-98-4
formula: C20H30O2.1/2Ca
inchikey: DWPDSISGRAWLLV-JHZYRPMRSA-L
norman_susdat_id: NS00086609
inchi:
InChI=1/2C20H30O2.Ca/c2*1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h2*7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);/q;;+2/p-2

smiles:
[Ca+2].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)[O-])[C@H]2CC1.CC(C)C4=CC5=CC[C@@H]6[C@](C)(CCC[C@@]6(C)C(=O)[O-])[C@H]5CC4


name: Lamivudine
cas: 134678-17-4
chebiid: CHEBI:63577
chemspiderid: 54812
dtxsid: DTXSID7023194
formula: C8H11N3O3S1
inchikey: JTEGQNOMFQHVDC-NKWVEPMBSA-N
norman_susdat_id: NS00007004
pubchem_cid: 60825
smiles: Nc1ccn([C@@H]2CS[C@H](CO)O2)c(=O)n1
inchi:
InChI=1S/C8H11N3O3S/c9-5-1-2-11(8(13)10-5)6-4-15-7(3-12)14-6/h1-2,6-7,12H,3-4H2,(H2,9,10,13)/t6-,7+/m0/s1


name: 8,8-dibutyl-1,4-dioxa-7,9-dithia-8-stannacycloundecane-5,11-dione
cas: 13468-00-3
dtxsid: DTXSID4065492
formula: C14H26O4S2Sn
inchikey: OQPYRRNNMIEEPM-UHFFFAOYSA-L
norman_susdat_id: NS00054115
pubchem_cid: NA
smiles: O=C1OCCOC(=O)CS[Sn](SC1)(CCCC)CCCC
inchi:
InChI=1/C6H10O4S2.2C4H9.Sn/c7-5(3-11)9-1-2-10-6(8)4-12;2*1-3-4-2;/h11-12H,1-4H2;2*1,3-4H2,2H3;/q;;;+2/p-2/rC14H26O4S2Sn/c1-3-5-9-21(10-6-4-2)19-11-13(15)17-7-8-18-14(16)12-20-21/h3-12H2,1-2H3


name: 2(1H)-Quinolinone, 7-(dimethylamino)-1-ethyl-3-phenyl-
cas: 13468-27-4
chemspiderid: 75338
dtxsid: DTXSID9065493
formula: C19H20N2O1
inchikey: ONUKVSFEFHPRKD-UHFFFAOYSA-N
norman_susdat_id: NS00024352
pubchem_cid: 83503
smiles: CCn1c(=O)c(cc2ccc(cc12)N(C)C)c1ccccc1
inchi:
InChI=1S/C19H20N2O/c1-4-21-18-13-16(20(2)3)11-10-15(18)12-17(19(21)22)14-8-6-5-7-9-14/h5-13H,4H2,1-3H3


name: Tris(6-tert-butyl-m-tolyl) phosphite
cas: 13468-92-3
dtxsid: DTXSID40928714
formula: C33H45O3P
inchikey: BMHHAKYFQUVKJF-UHFFFAOYSA-N
norman_susdat_id: NS00053682
pubchem_cid: 83504
smiles: O(C1=CC(=CC=C1C(C)(C)C)C)P(OC2=CC(=CC=C2C(C)(C)C)C)OC3=CC(=CC=C3C(C)(C)C)C
inchi:
InChI=1/C33H45O3P/c1-22-13-16-25(31(4,5)6)28(19-22)34-37(35-29-20-23(2)14-17-26(29)32(7,8)9)36-30-21-24(3)15-18-27(30)33(10,11)12/h13-21H,1-12H3


name: Diytterbium trisulphate
cas: 13469-97-1
formula: H2O4S.2/3Yb
inchikey: LIJMSXLXEHQJNV-UHFFFAOYSA-H
norman_susdat_id: NS00087040
smiles: [Yb+2].[Yb+2].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]
inchi:
InChI=1/3H2O4S.2Yb.4H/c3*1-5(2,3)4;;;;;;/h3*(H2,1,2,3,4);;;;;;/q;;;2*+2;;;;/p-6/r3H2O4S.2H2Yb/c3*1-5(2,3)4;;/h3*(H2,1,2,3,4);2*1H2/q;;;2*+2/p-6


name: 2-(Hexadecan-2-yl)-4,6-dimethylphenol
cas: 134701-20-5
chemspiderid: 144106
dtxsid: DTXSID2051685
formula: C24H42O1
inchikey: TVWGHFVGFWIHFN-UHFFFAOYSA-N
norman_susdat_id: NS00007953
pubchem_cid: 164362
smiles: CCCCCCCCCCCCCCC(C)c1cc(C)cc(C)c1O
inchi:
InChI=1S/C24H42O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21(3)23-19-20(2)18-22(4)24(23)25/h18-19,21,25H,5-17H2,1-4H3


name: potenziell: N-Nitrosometoprolol
cas: 134720-05-1
chemspiderid: 136074
formula: C15H24N2O4
inchikey: CHTOBGHTYDROBB-UHFFFAOYSA-N
norman_susdat_id: NS00007485
pubchem_cid: 154449
smiles: COCCc1ccc(OCC(O)CN(N=O)C(C)C)cc1
inchi:
InChI=1S/C15H24N2O4/c1-12(2)17(16-19)10-14(18)11-21-15-6-4-13(5-7-15)8-9-20-3/h4-7,12,14,18H,8-11H2,1-3H3


name: 3-{4-[(Oxolan-2-yl)methoxy]phenyl}-7-phenylbenzo[1,2-b:4,5-b']difuran-2,6-dione
cas: 134724-55-3
chemspiderid: NA
dtxsid: DTXSID40568811
formula: C27H20O6
inchikey: PLILWZJQAUTHSW-UHFFFAOYSA-N
norman_susdat_id: NS00008349
pubchem_cid: 15135259
smiles: O=C1Oc2cc3=C(C(=O)Oc3cc2=C1c1ccccc1)c1ccc(OCC2CCCO2)cc1
inchi:
InChI=1S/C27H20O6/c28-26-24(16-5-2-1-3-6-16)20-13-23-21(14-22(20)32-26)25(27(29)33-23)17-8-10-18(11-9-17)31-15-19-7-4-12-30-19/h1-3,5-6,8-11,13-14,19H,4,7,12,15H2


name: D&C Red 27
cas: 13473-26-2
chebiid: CHEBI:156496
chemspiderid: 75346
dtxsid: DTXSID2031089
formula: C20H4Br4Cl4O5
inchikey: ZYIBVBKZZZDFOY-UHFFFAOYSA-N
norman_susdat_id: NS00009855
pubchem_cid: 83511
smiles: Oc1c(Br)cc2c(Oc3c(Br)c(O)c(Br)cc3C22OC(=O)c3c2c(Cl)c(Cl)c(Cl)c3Cl)c1Br
inchi:
InChI=1S/C20H4Br4Cl4O5/c21-5-1-3-17(9(23)15(5)29)32-18-4(2-6(22)16(30)10(18)24)20(3)8-7(19(31)33-20)11(25)13(27)14(28)12(8)26/h1-2,29-30H


name: Pipenzolate
cas: 13473-38-6
chebiid: CHEBI:95178
chemspiderid: 4666
dtxsid: DTXSID9048481
formula: C22H28N1O3
inchikey: WPUKUEMZZRVAKZ-UHFFFAOYSA-N
norman_susdat_id: NS00001167
pubchem_cid: 4832
smiles: CC[N+]1(C)CCCC(C1)OC(=O)C(O)(C1=CC=CC=C1)C1=CC=CC=C1
inchi:
InChI=1S/C22H28NO3/c1-3-23(2)16-10-15-20(17-23)26-21(24)22(25,18-11-6-4-7-12-18)19-13-8-5-9-14-19/h4-9,11-14,20,25H,3,10,15-17H2,1-2H3/q+1


cas: 13473-51-3
chebiid: CHEBI:176297
dtxsid: DTXSID40928734
formula: C35H52O15
inchikey: CAYUJEAJKPLCAV-TZOZDROWSA-N
norman_susdat_id: NS00054112
pubchem_cid: 114652
smiles: O=CC12CCC(OC3OC(C)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)CC2(O)CCC5C1CCC6(C)C(C7=CC(=O)OC7)CCC56O
name:
(3ß,5ß)-3-[(6-deoxy-4-O-ß-D-glucopyranosyl-a-L-mannopyranosyl)oxy]-5,14-dihydroxy-19-oxocard-20(22)-enolide

inchi:
InChI=1/C35H52O15/c1-16-29(50-31-27(42)25(40)24(39)22(13-36)49-31)26(41)28(43)30(47-16)48-18-3-8-33(15-37)20-4-7-32(2)19(17-11-23(38)46-14-17)6-10-35(32,45)21(20)5-9-34(33,44)12-18/h11,15-16,18-22,24-31,36,39-45H,3-10,12-14H2,1-2H3


name: Methylbenactyzium
cas: 13473-61-5
chemspiderid: 3991
dtxsid: DTXSID20158916
formula: C21H28N1O3
inchikey: HDAMOICMOAXFLJ-UHFFFAOYSA-N
norman_susdat_id: NS00009637
pubchem_cid: 4134
smiles: CC[N+](C)(CC)CCOC(=O)C(O)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C21H28NO3/c1-4-22(3,5-2)16-17-25-20(23)21(24,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,24H,4-5,16-17H2,1-3H3/q+1


cas: 13474-96-9
formula: C42H89O18P3
inchikey: AKMQCIVYHBOGHO-UHFFFAOYSA-N
norman_susdat_id: NS00055460
pubchem_cid: 102601623
smiles: OC(C)COCC(OP(OC(C)COCC(O)C)OC(C)COCC(P(C(C)COCC(O)C)C(C)COCC(OP(OC(C)COCC(O)C)OC(C)COCC(O)C)C)C)C
name:
Bis[13-hydroxy-7-[2-(2-hydroxypropoxy)-1-methylethoxy]-1,5,9-trimethyl-3,6,8,11-tetraoxa-7-phosphatetradec-1-yl][2-(2-hydroxypropoxy)-1-methylethyl]phosphine

inchi:
InChI=1/C42H89O18P3/c1-29(43)15-48-20-34(6)55-62(56-35(7)21-49-16-30(2)44)59-38(10)24-53-27-41(13)61(40(12)26-52-19-33(5)47)42(14)28-54-25-39(11)60-63(57-36(8)22-50-17-31(3)45)58-37(9)23-51-18-32(4)46/h29-47H,15-28H2,1-14H3


name: Didocosyl succinate
cas: 13475-47-3
chemspiderid: 75347
dtxsid: DTXSID80158932
formula: C48H94O4
inchikey: IKGRKXISYLAKAJ-UHFFFAOYSA-N
norman_susdat_id: NS00024355
pubchem_cid: 83512
smiles: CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C48H94O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-45-51-47(49)43-44-48(50)52-46-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-46H2,1-2H3


name: Niflumic acid met 32 -427
cas: 134826-49-6
chemspiderid: NA
formula: C18H16F3N3O6
inchikey: UTHYUKMXKUDFSO-UHFFFAOYSA-N
norman_susdat_id: NS00000851
pubchem_cid: NA
smiles: FC(F)(c1cc(Nc2ncc(O)cc2C(NC(CCC(O)=O)C(O)=O)=O)ccc1)F
inchi:
InChI=1S/C18H16F3N3O6/c19-18(20,21)9-2-1-3-10(6-9)23-15-12(7-11(25)8-22-15)16(28)24-13(17(29)30)4-5-14(26)27/h1-3,6-8,13,25H,4-5H2,(H,22,23)(H,24,28)(H,26,27)(H,29,30)


name: 9,10-Anthracenedione, 1-amino-4-(phenylthio)-
cas: 13483-52-8
chemspiderid: 75357
dtxsid: DTXSID6065507
formula: C20H13N1O2S1
inchikey: LTOKWJHRFGVTLE-UHFFFAOYSA-N
norman_susdat_id: NS00024360
pubchem_cid: 83523
smiles: Nc1c2C(=O)c3c(cccc3)C(=O)c2c(Sc2ccccc2)cc1
inchi:
InChI=1S/C20H13NO2S/c21-15-10-11-16(24-12-6-2-1-3-7-12)18-17(15)19(22)13-8-4-5-9-14(13)20(18)23/h1-11H,21H2


name: Octadecanamide, N,N'-[(methylimino)di-3,1-propanediyl]bis-
cas: 13483-58-4
chemspiderid: 75358
dtxsid: DTXSID1065508
formula: C43H87N3O2
inchikey: MYCSIFBJZVHBGE-UHFFFAOYSA-N
norman_susdat_id: NS00020263
pubchem_cid: 83524
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCCN(C)CCCNC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C43H87N3O2/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-42(47)44-38-34-40-46(3)41-35-39-45-43(48)37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-41H2,1-3H3,(H,44,47)(H,45,48)


name: 5a,6a-epoxy-3ß-hydroxypregn-16-en-20-one
cas: 13485-13-7
formula: C21H30O3
inchikey: FJOFXGFQXDZWJF-XQYCTUDZSA-N
norman_susdat_id: NS00087403
smiles: CC(=O)C1=CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C
inchi:
InChI=1/C21H30O3/c1-12(22)15-4-5-16-14-10-18-21(24-18)11-13(23)6-9-20(21,3)17(14)7-8-19(15,16)2/h4,13-14,16-18,23H,5-11H2,1-3H3


name: Benzenemethanamine, N-ethyl-N-[4-(1H-1,2,4-triazol-3-ylazo)phenyl]-
cas: 13486-13-0
dtxsid: DTXSID6065509
formula: NA
inchikey: CAAQCABQPNOOQQ-UHFFFAOYSA-N
norman_susdat_id: NS00053298
pubchem_cid: 83526
smiles: CCN(Cc1ccccc1)c2ccc(cc2)N=Nc3ncnn3
inchi:
InChI=1/C17H18N6/c1-2-23(12-14-6-4-3-5-7-14)16-10-8-15(9-11-16)20-22-17-18-13-19-21-17/h3-11,13H,2,12H2,1H3,(H,18,19,21)


name: Ethanol, 2-[ethyl[4-[(6-methoxy-2-benzothiazolyl)azo]phenyl]amino]-
cas: 13486-43-6
chemspiderid: 1510
dtxsid: DTXSID5065510
formula: C18H20N4O2S1
inchikey: UDACKEZLXLPHBN-UHFFFAOYSA-N
norman_susdat_id: NS00020998
pubchem_cid: 83527
smiles: CCN(CCO)c1ccc(cc1)N=Nc1nc2c(s1)cc(OC)cc2
inchi:
InChI=1S/C18H20N4O2S/c1-3-22(10-11-23)14-6-4-13(5-7-14)20-21-18-19-16-9-8-15(24-2)12-17(16)25-18/h4-9,12,23H,3,10-11H2,1-2H3/b21-20+


name: Dichlorohexylaluminium
cas: 13487-95-1
formula: C6H13AlCl2
inchikey: VMLUVDHAXSZZSR-UHFFFAOYSA-L
norman_susdat_id: NS00086377
smiles: CCCCCC[Al](Cl)Cl
inchi:
InChI=1/C6H13.Al.2ClH/c1-3-5-6-4-2;;;/h1,3-6H2,2H3;;2*1H/q;+2;;/p-2/rC6H13AlCl2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3


name: 3-(hexahydro-1H-azepin-1-yl)-3'-nitropropiophenone hydrochloride
cas: 13492-21-2
dtxsid: DTXSID70159079
formula: C15H21N2O3
inchikey: GZSMZOZGZVJTLF-UHFFFAOYSA-N
norman_susdat_id: NS00053322
pubchem_cid: NA
smiles: Cl.O=C(C1=CC=CC(=C1)[N+](=O)[O-])CCN2CCCCCC2
inchi:
InChI=1/C15H20N2O3.ClH/c18-15(8-11-16-9-3-1-2-4-10-16)13-6-5-7-14(12-13)17(19)20;/h5-7,12H,1-4,8-11H2;1H


cas: 134931-01-4
inchikey: KYTWXIARANQMCA-PGYIPVOXSA-N
norman_susdat_id: NS00077329
name:
(3R,4S,5S,6R,7R,9R,10Z,11S,12R,13S,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethy

smiles:
CN([C@@H]1[C@H]([C@@H](O[C@@H](C1)C)O[C@@H]1[C@H]([C@@H]([C@H](C(O[C@@H]([C@@]([C@@H]([C@H](C([C@@H](C[C@@]1(C)O)C)=N/O)C)O)(C)O)CC)=O)C)O[C@@H]1O[C@H]([C@@H]([C@](C1)(C)OC)O)C)C)O)C


name: (S)-5,6,6a,7-tetrahydro-1,2,9,10-tetramethoxy-6-methyl-4H-dibenzo[de,g]quinolinium chloride
cas: 134-93-6
formula: C21H25NO4.ClH
inchikey: KRMYOICRUJJKEZ-RSAXXLAASA-N
norman_susdat_id: NS00083511
smiles: [Cl-].COc1cc2C[C@@H]3[NH+](C)CCc4cc(OC)c(OC)c(c2cc1OC)c34
inchi:
InChI=1/C21H25NO4.ClH/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20;/h9-11,15H,6-8H2,1-5H3;1H


name: Piminodine
cas: 13495-09-5
chebiid: CHEBI:135546
chemspiderid: 20628
dtxsid: DTXSID60159149
formula: C23H30N2O2
inchikey: PXXKIYPSXYFATG-UHFFFAOYSA-N
norman_susdat_id: NS00010500
pubchem_cid: 21950
smiles: CCOC(=O)C1(CCN(CC1)CCCNc2ccccc2)c3ccccc3
inchi:
InChI=1S/C23H30N2O2/c1-2-27-22(26)23(20-10-5-3-6-11-20)14-18-25(19-15-23)17-9-16-24-21-12-7-4-8-13-21/h3-8,10-13,24H,2,9,14-19H2,1H3


name: AM-1220
cas: 134959-64-1
dtxsid: DTXSID40159162
formula: C26H26N2O
inchikey: URKVBEKZCMUTQC-HXUWFJFHSA-N
norman_susdat_id: NS00067956
smiles: CN1CCCC[C@@H]1CN1C=C(C(=O)C2=CC=CC3=CC=CC=C23)C2=CC=CC=C12
inchi:
InChI=1S/C26H26N2O/c1-27-16-7-6-11-20(27)17-28-18-24(22-13-4-5-15-25(22)28)26(29)23-14-8-10-19-9-2-3-12-21(19)23/h2-5,8-10,12-15,18,20H,6-7,11,16-17H2,1H3/t20-/m1/s1


name: Bis(triethoxysilylpropyl)amine
cas: 13497-18-2
dtxsid: DTXSID5065512
formula: C18H43NO6Si2
inchikey: OUESQCNQPJGGHJ-UHFFFAOYSA-N
norman_susdat_id: NS00053742
pubchem_cid: 83535
smiles: O(CC)[Si](OCC)(OCC)C(NC(CC)[Si](OCC)(OCC)OCC)CC
inchi:
InChI=1/C18H43NO6Si2/c1-9-17(26(20-11-3,21-12-4)22-13-5)19-18(10-2)27(23-14-6,24-15-7)25-16-8/h17-19H,9-16H2,1-8H3


name: Tetrabutyl 2,2'-[(dibutylstannylene)dithio]disuccinate
cas: 13497-25-1
formula: C32H60O8S2Sn
inchikey: VXTLEAISONEAJR-UHFFFAOYSA-L
norman_susdat_id: NS00053743
pubchem_cid: NA
smiles: O=C(OCCCC)CC(S[Sn](SC(C(=O)OCCCC)CC(=O)OCCCC)(CCCC)CCCC)C(=O)OCCCC
inchi:
InChI=1/2C12H22O4S.2C4H9.Sn/c2*1-3-5-7-15-11(13)9-10(17)12(14)16-8-6-4-2;2*1-3-4-2;/h2*10,17H,3-9H2,1-2H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC32H60O8S2Sn/c1-7-13-19-37-29(33)25-27(31(35)39-21-15-9-3)41-43(23-17-11-5,24-18-12-6)42-28(32(36)40-22-16-10-4)26-30(34)38-20-14-8-2/h27-28H,7-26H2,1-6H3


name: Ytterbium(3+) perchlorate
cas: 13498-08-3
formula: ClHO4.1/3Yb
inchikey: FLUCZZRGYSITMV-UHFFFAOYSA-K
norman_susdat_id: NS00086717
smiles: [Yb+3].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O
inchi:
InChI=1/3ClHO4.Yb.2H/c3*2-1(3,4)5;;;/h3*(H,2,3,4,5);;;/q;;;+3;;/p-3/r3ClHO4.H2Yb/c3*2-1(3,4)5;/h3*(H,2,3,4,5);1H2/q;;;+3/p-3


name: Methyclothiazide
cas: 135-07-9
chebiid: CHEBI:6847
chemspiderid: 3978
dtxsid: DTXSID6023313
formula: C9H11Cl2N3O4S2
inchikey: CESYKOGBSMNBPD-UHFFFAOYSA-N
norman_susdat_id: NS00010492
pubchem_cid: 4121
smiles: CN1C(Nc2cc(c(cc2S1(=O)=O)S(=O)(=O)N)Cl)CCl
inchi:
InChI=1S/C9H11Cl2N3O4S2/c1-14-9(4-10)13-6-2-5(11)7(19(12,15)16)3-8(6)20(14,17)18/h2-3,9,13H,4H2,1H3,(H2,12,15,16)


name: Hydroflumethiazide
cas: 135-09-1
chebiid: CHEBI:5784
chemspiderid: 3521
dtxsid: DTXSID3023132
formula: C8H8F3N3O4S2
inchikey: DMDGGSIALPNSEE-UHFFFAOYSA-N
norman_susdat_id: NS00004317
pubchem_cid: 3647
smiles: NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1C(F)(F)F
inchi:
InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)


name: Benzoic acid, 2-amino-5-[[(2-carboxyphenyl)amino]sulfonyl]-
cas: 135-10-4
chemspiderid: 60597
dtxsid: DTXSID2059645
formula: C14H12N2O6S1
inchikey: JRNYSJXPPZZAQR-UHFFFAOYSA-N
norman_susdat_id: NS00024373
pubchem_cid: 67263
smiles: Nc1c(cc(cc1)S(=O)(=O)Nc1c(cccc1)C(=O)O)C(=O)O
inchi:
InChI=1S/C14H12N2O6S/c15-11-6-5-8(7-10(11)14(19)20)23(21,22)16-12-4-2-1-3-9(12)13(17)18/h1-7,16H,15H2,(H,17,18)(H,19,20)


name: Benzenesulfonic acid, 4-[(4-aminophenyl)amino]-3-nitro-
cas: 135-11-5
chemspiderid: 4576553
dtxsid: DTXSID7059646
formula: C12H11N3O5S1
inchikey: IQXPRPSTZKBYER-UHFFFAOYSA-N
norman_susdat_id: NS00024375
pubchem_cid: 5464135
smiles: Nc1ccc(Nc2ccc(cc2[N+](=O)[O-])S(=O)(=O)O)cc1
inchi:
InChI=1S/C12H11N3O5S/c13-8-1-3-9(4-2-8)14-11-6-5-10(21(18,19)20)7-12(11)15(16)17/h1-7,14H,13H2,(H,18,19,20)


name: N-[4-[[(2-amino-1,4,5,6,7,8-hexahydro-4-oxo-6-pteridinyl)methyl]amino]benzoyl]-L-glutamic acid
cas: 135-16-0
chebiid: CHEBI:20506
dtxsid: DTXSID70897520
formula: C19H23N7O6
inchikey: MSTNYGQPCMXVAQ-KIYNQFGBSA-N
norman_susdat_id: NS00041901
pubchem_cid: NA
smiles: O=C1N=C(N)NC=2NCC(NC12)CNC3=CC=C(C=C3)C(=O)NC(C(=O)O)CCC(=O)O
inchi:
InChI=1/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)


name: Methapyrilene hydrochloride
cas: 135-23-9
chebiid: CHEBI:38213
formula: C14H19N3S.ClH
inchikey: BONORRGKLJBGRV-UHFFFAOYSA-N
norman_susdat_id: NS00079112
smiles: Cl.CN(C)CCN(Cc1cccs1)c2ccccn2
inchi:
InChI=1/C14H19N3S.ClH/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14;/h3-8,11H,9-10,12H2,1-2H3;1H


name: (1-phenylpentyl) hydrogen succinate
cas: 135-36-4
dtxsid: DTXSID10928847
formula: C15H20O4
inchikey: NIACDRXJTWKKRD-UHFFFAOYSA-N
norman_susdat_id: NS00041345
pubchem_cid: 101617
smiles: O=C(O)CCC(=O)OC(C=1C=CC=CC1)CCCC
inchi:
InChI=1/C15H20O4/c1-2-3-9-13(12-7-5-4-6-8-12)19-15(18)11-10-14(16)17/h4-8,13H,2-3,9-11H2,1H3,(H,16,17)


name: 2',5'-diethoxy-4'-nitrobenzanilide
cas: 135-41-1
dtxsid: DTXSID70928848
formula: C17H19N2O5
inchikey: BNPJJUAYGVZHHG-UHFFFAOYSA-N
norman_susdat_id: NS00041903
pubchem_cid: 67266
smiles: O=C(NC1=CC(OCC)=C(C=C1OCC)[N+](=O)[O-])C=2C=CC=CC2
inchi:
InChI=1/C17H18N2O5/c1-3-23-15-11-14(19(21)22)16(24-4-2)10-13(15)18-17(20)12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3,(H,18,20)


name: N,N'''-[4-(dodecyloxy)-1,3-phenylene]bisguanidine dihydrochloride
cas: 135-42-2
dtxsid: DTXSID70159195
formula: C20H36N6O
inchikey: ORNKTGGBEWOHQY-UHFFFAOYSA-N
norman_susdat_id: NS00041545
pubchem_cid: 3038489
smiles: Cl.Cl.N=C(N)NC1=CC=C(OCCCCCCCCCCCC)C(=C1)NC(=N)N
inchi:
InChI=1/C20H36N6O.2ClH/c1-2-3-4-5-6-7-8-9-10-11-14-27-18-13-12-16(25-19(21)22)15-17(18)26-20(23)24;;/h12-13,15H,2-11,14H2,1H3,(H4,21,22,25)(H4,23,24,26);2*1H


name: Disodium 3-aminonaphthalene-2,7-disulphonate
cas: 135-50-2
formula: C10H9NO6S2.2Na
inchikey: YCBINYVMSDDQKZ-UHFFFAOYSA-L
norman_susdat_id: NS00079295
smiles: [Na+].[Na+].Nc1cc2ccc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H9NO6S2.2Na/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2


name: Disodium 3-hydroxynaphthalene-2,7-disulphonate
cas: 135-51-3
formula: C10H8O7S2.2Na
inchikey: VNEBWJSWMVTSHK-UHFFFAOYSA-L
norman_susdat_id: NS00079296
smiles: [Na+].[Na+].Oc1cc2ccc(cc2cc1S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H8O7S2.2Na/c11-9-4-6-1-2-8(18(12,13)14)3-7(6)5-10(9)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2


name: 2-[1-(2-hydroxy-5-sulphophenyl)-3-phenyl-5-formazano]benzoic acid
cas: 135-52-4
dtxsid: DTXSID60861795
formula: C20H16N4O6S
inchikey: VSSGEDASAZNGHS-UHFFFAOYSA-N
norman_susdat_id: NS00041904
pubchem_cid: NA
smiles: O=C(O)C=1C=CC=CC1NN=C(N=NC2=CC(=CC=C2O)S(=O)(=O)O)C=3C=CC=CC3
inchi:
InChI=1/C20H16N4O6S/c25-18-11-10-14(31(28,29)30)12-17(18)22-24-19(13-6-2-1-3-7-13)23-21-16-9-5-4-8-15(16)20(26)27/h1-12,21,25H,(H,26,27)(H,28,29,30)


name: 2,2'-Dibenzoylaminodiphenyl disulfide
cas: 135-57-9
chemspiderid: 60603
dtxsid: DTXSID7041629
formula: C26H20N2O2S2
inchikey: ZHMIOPLMFZVSHY-UHFFFAOYSA-N
norman_susdat_id: NS00005491
pubchem_cid: 67271
smiles: O=C(Nc1ccccc1SSc1ccccc1NC(=O)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C26H20N2O2S2/c29-25(19-11-3-1-4-12-19)27-21-15-7-9-17-23(21)31-32-24-18-10-8-16-22(24)28-26(30)20-13-5-2-6-14-20/h1-18H,(H,27,29)(H,28,30)


name: 2-Naphthalenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-
cas: 135-61-5
chemspiderid: 60605
dtxsid: DTXSID6059653
formula: C18H15N1O2
inchikey: FBLAHUMENIHUGG-UHFFFAOYSA-N
norman_susdat_id: NS00005551
pubchem_cid: 67273
smiles: Cc1ccccc1NC(=O)c1cc2ccccc2cc1O
inchi:
InChI=1S/C18H15NO2/c1-12-6-2-5-9-16(12)19-18(21)15-10-13-7-3-4-8-14(13)11-17(15)20/h2-11,20H,1H3,(H,19,21)


name: 3-Hydroxy-2-naphthoic o-anisidide
cas: 135-62-6
chemspiderid: 60606
dtxsid: DTXSID6038877
formula: C18H15N1O3
inchikey: AQYMRQUYPFCXDM-UHFFFAOYSA-N
norman_susdat_id: NS00020056
pubchem_cid: 67274
smiles: COc1ccccc1NC(=O)c1cc2ccccc2cc1[O-]
inchi:
InChI=1S/C18H15NO3/c1-22-17-9-5-4-8-15(17)19-18(21)14-10-12-6-2-3-7-13(12)11-16(14)20/h2-11,20H,1H3,(H,19,21)


name: 2-Naphthalenecarboxamide, N-(5-chloro-2-methylphenyl)-3-hydroxy-
cas: 135-63-7
chemspiderid: 60607
dtxsid: DTXSID1059654
formula: C18H14Cl1N1O2
inchikey: XZOACPDZZYNJER-UHFFFAOYSA-N
norman_susdat_id: NS00007328
pubchem_cid: 67275
smiles: Cc1ccc(Cl)cc1NC(=O)c1cc2ccccc2cc1O
inchi:
InChI=1S/C18H14ClNO2/c1-11-6-7-14(19)10-16(11)20-18(22)15-8-12-4-2-3-5-13(12)9-17(15)21/h2-10,21H,1H3,(H,20,22)


name: 2-Naphthalenecarboxamide, 3-hydroxy-N-2-naphthalenyl-
cas: 135-64-8
chemspiderid: 60608
dtxsid: DTXSID6059655
formula: C21H15N1O2
inchikey: PMYDPQQPEAYXKD-UHFFFAOYSA-N
norman_susdat_id: NS00021000
pubchem_cid: 67276
smiles: Oc1c(cc2ccccc2c1)C(=O)Nc1ccc2ccccc2c1
inchi:
InChI=1S/C21H15NO2/c23-20-13-17-8-4-3-7-16(17)12-19(20)21(24)22-18-10-9-14-5-1-2-6-15(14)11-18/h1-13,23H,(H,22,24)


name: 3-Hydroxy-N-(3-nitrophenyl)naphthalene-2-carboxamide
cas: 135-65-9
chemspiderid: 60609
dtxsid: DTXSID3044544
formula: C17H12N2O4
inchikey: YZJSKRBKHCLMQC-UHFFFAOYSA-N
norman_susdat_id: NS00021001
pubchem_cid: 67277
smiles: Oc1c(cc2ccccc2c1)C(=O)Nc1cc(ccc1)[N+](=O)[O-]
inchi:
InChI=1S/C17H12N2O4/c20-16-9-12-5-2-1-4-11(12)8-15(16)17(21)18-13-6-3-7-14(10-13)19(22)23/h1-10,20H,(H,18,21)


name: Disodium 4',4'''-azobis[1,1'-biphenyl]-4-carboxylate
cas: 135-71-7
formula: C26H18N2O4.2Na
inchikey: HRBWETPTZZACJP-UHFFFAOYSA-L
norman_susdat_id: NS00079214
smiles: [Na+].[Na+].[O-]C(=O)c1ccc(cc1)c4ccc(N=Nc2ccc(cc2)c3ccc(cc3)C([O-])=O)cc4
inchi:
InChI=1/C26H18N2O4.2Na/c29-25(30)21-5-1-17(2-6-21)19-9-13-23(14-10-19)27-28-24-15-11-20(12-16-24)18-3-7-22(8-4-18)26(31)32;;/h1-16H,(H,29,30)(H,31,32);;/q;2*+1/p-2


name: 1-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]piperidinium chloride
cas: 135-87-5
dtxsid: DTXSID00928851
formula: C14H19NO2
inchikey: BITRJBQGQMGGQI-UHFFFAOYSA-N
norman_susdat_id: NS00041436
pubchem_cid: 6040
smiles: [Cl-].O1C=2C=CC=CC2OC(C1)C[NH+]3CCCCC3
inchi:
InChI=1/C14H19NO2.ClH/c1-4-8-15(9-5-1)10-12-11-16-13-6-2-3-7-14(13)17-12;/h2-3,6-7,12H,1,4-5,8-11H2;1H


name: Benzenamine, 4,4'-methylenebis[N,N-diethyl-
cas: 135-91-1
chemspiderid: 60620
dtxsid: DTXSID5059662
formula: C21H30N2
inchikey: MIERBLCDXYWVTF-UHFFFAOYSA-N
norman_susdat_id: NS00019944
pubchem_cid: 67288
smiles: CCN(CC)c1ccc(Cc2ccc(cc2)N(CC)CC)cc1
inchi:
InChI=1S/C21H30N2/c1-5-22(6-2)20-13-9-18(10-14-20)17-19-11-15-21(16-12-19)23(7-3)8-4/h9-16H,5-8,17H2,1-4H3


name: Sodium tetradecene-1-sulphonate
cas: 13502-13-1
dtxsid: DTXSID5065514
formula: C14H28O3S
inchikey: RUTSRVMUIGMTHJ-UHFFFAOYSA-M
norman_susdat_id: NS00053844
pubchem_cid: 114655
smiles: [Na+].O=S(=O)([O-])C=CCCCCCCCCCCCC
inchi:
InChI=1/C14H28O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18(15,16)17;/h13-14H,2-12H2,1H3,(H,15,16,17);/q;+1/p-1


name: 1-benzyl hydrogen (2S-trans)-4-hydroxypyrrolidine-1,2-dicarboxylate
cas: 13504-85-3
dtxsid: DTXSID10928867
formula: C13H15NO5
inchikey: WWVCWLBEARZMAH-MNOVXSKESA-N
norman_susdat_id: NS00053763
pubchem_cid: 391517
smiles: O=C(O)C1N(C(=O)OCC=2C=CC=CC2)CC(O)C1
inchi:
InChI=1/C13H15NO5/c15-10-6-11(12(16)17)14(7-10)13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11,15H,6-8H2,(H,16,17)


name: Grazoprevir
cas: 1350514-68-9
chebiid: CHEBI:132975
dtxsid: DTXSID50159234
formula: C38H50N6O9S
inchikey: OBMNJSNZOWALQB-NCQNOWPTSA-N
norman_susdat_id: NS00073062
pubchem_cid: 44603531
inchi:
InChI=1S/C38H50N6O9S/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47)/t21-,22-,24-,29+,30-,31-,38-/m1/s1

smiles:
C=C[C@@H]1C[C@]1(NC(=O)[C@@H]1C[C@@H]2CN1C(=O)[C@H](C(C)(C)C)NC(=O)O[C@@H]1C[C@H]1CCCCCc1nc3ccc(OC)cc3nc1O2)/C(O)=N/S(=O)(=O)C1CC1


name: Repaglinide
cas: 135062-02-1
chemspiderid: 4388
dtxsid: DTXSID3023552
formula: C27H36N2O4
inchikey: FAEKWTJYAYMJKF-UHFFFAOYSA-N
norman_susdat_id: NS00000620
pubchem_cid: 4547
smiles: CCOC1=C(C=CC(=C1)CC(=O)NC(CC(C)C)C2=CC=CC=C2N3CCCCC3)C(=O)O
inchi:
InChI=1S/C27H36N2O4/c1-4-33-25-17-20(12-13-22(25)27(31)32)18-26(30)28-23(16-19(2)3)21-10-6-7-11-24(21)29-14-8-5-9-15-29/h6-7,10-13,17,19,23H,4-5,8-9,14-16,18H2,1-3H3,(H,28,30)(H,31,32)


name: bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl) hydrogen phosphate
cas: 135098-69-0
chemspiderid: NA
formula: C12H9F18O4P1
inchikey: VWCCNJKABGONRR-UHFFFAOYSA-N
norman_susdat_id: NS00010960
pubchem_cid: 87950237
smiles: FC(F)(C(F)(C(F)(C(F)(F)CCOP(O)(OCCC(F)(C(F)(F)C(F)(F)C(F)(F)F)F)=O)F)F)F
inchi:
InChI=1S/C12H9F18O4P/c13-5(14,7(17,18)9(21,22)11(25,26)27)1-3-33-35(31,32)34-4-2-6(15,16)8(19,20)10(23,24)12(28,29)30/h1-4H2,(H,31,32)


name: 4-nitrophenyl O-benzyl-N-[(tert-butoxy)carbonyl]-L-tyrosinate
cas: 13512-59-9
dtxsid: DTXSID40928890
formula: C27H29N2O7
inchikey: VTUXNRKFFGSUAE-DEOSSOPVSA-N
norman_susdat_id: NS00054657
pubchem_cid: 13453746
smiles: O=C(OC(C)(C)C)NC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])CC2=CC=C(OCC=3C=CC=CC3)C=C2
inchi:
InChI=1/C27H28N2O7/c1-27(2,3)36-26(31)28-24(25(30)35-23-15-11-21(12-16-23)29(32)33)17-19-9-13-22(14-10-19)34-18-20-7-5-4-6-8-20/h4-16,24H,17-18H2,1-3H3,(H,28,31)


name: 2'-(p-Tosyl)(3,4,5-trimethoxybenzo)hydrazide
cas: 13513-93-4
chemspiderid: 75375
dtxsid: DTXSID20159261
formula: C17H20N2O6S1
inchikey: ACDYWAIEHULRGT-UHFFFAOYSA-N
norman_susdat_id: NS00024378
pubchem_cid: 83543
smiles: COc1cc(cc(OC)c1OC)C(=O)NNS(=O)(=O)c1ccc(C)cc1
inchi:
InChI=1S/C17H20N2O6S/c1-11-5-7-13(8-6-11)26(21,22)19-18-17(20)12-9-14(23-2)16(25-4)15(10-12)24-3/h5-10,19H,1-4H3,(H,18,20)


name: (10E)-12,12,13,13,14,14,15,15,16,16,17,17,17-Tridecafluoroheptadec-10-en-1-ol
cas: 135131-53-2
dtxsid: DTXSID30896690
formula: C17H21F13O
inchikey: OCVCPUQNCRNBAZ-CSKARUKUSA-N
norman_susdat_id: NS00110135
smiles: OCCCCCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C17H21F13O/c18-12(19,10-8-6-4-2-1-3-5-7-9-11-31)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h8,10,31H,1-7,9,11H2/b10-8+


name: C.I. Pigment Yellow 73
cas: 13515-40-7
chemspiderid: 55545
dtxsid: DTXSID6051691
formula: C17H15Cl1N4O5
inchikey: QPHCXDDGQQLPIM-UHFFFAOYSA-N
norman_susdat_id: NS00001172
pubchem_cid: 61637
smiles: COc1ccccc1NC(=O)C(N=Nc1ccc(Cl)cc1[N+]([O-])=O)C(C)=O
inchi:
InChI=1S/C17H15ClN4O5/c1-10(23)16(17(24)19-13-5-3-4-6-15(13)27-2)21-20-12-8-7-11(18)9-14(12)22(25)26/h3-9,16H,1-2H3,(H,19,24)


name: Diphosphoric acid, compound with 1,3,5-triazine-2,4,6-triamine (1:2)
cas: 13518-93-9
formula: C3H6N6.1/2H4O7P2
inchikey: CZQYVJUCYIRDFR-UHFFFAOYSA-N
norman_susdat_id: NS00086836
smiles: Nc1nc(N)nc(N)n1.Nc2nc(N)nc(N)n2.OP(=O)(O)OP(=O)(O)O
inchi:
InChI=1/2C3H6N6.H4O7P2/c2*4-1-7-2(5)9-3(6)8-1;1-8(2,3)7-9(4,5)6/h2*(H6,4,5,6,7,8,9);(H2,1,2,3)(H2,4,5,6)


name: 3ß-hydroxy-2ß,16ß-dipiperidino-5-a-androstan-17-one
cas: 13522-14-0
dtxsid: DTXSID70928909
formula: C29H48N2O2
inchikey: KUCISTFXMDQUHG-UHFFFAOYSA-N
norman_susdat_id: NS00054659
pubchem_cid: NA
smiles: O=C1C(N2CCCCC2)CC3C4CCC5CC(O)C(N6CCCCC6)CC5(C)C4CCC13C
inchi:
InChI=1/C29H48N2O2/c1-28-12-11-22-21(23(28)18-24(27(28)33)30-13-5-3-6-14-30)10-9-20-17-26(32)25(19-29(20,22)2)31-15-7-4-8-16-31/h20-26,32H,3-19H2,1-2H3


name: (2ß,3a,5a,16ß,17ß)-2,16-dipiperidin-1-ylandrosta-3,17 diol
cas: 13522-16-2
dtxsid: DTXSID80928910
formula: C29H50N2O2
inchikey: SMEIBKQQBOLIMJ-UHFFFAOYSA-N
norman_susdat_id: NS00052353
pubchem_cid: NA
smiles: OC1CC2CCC3C(CCC4(C)C(O)C(N5CCCCC5)CC34)C2(C)CC1N6CCCCC6
inchi:
InChI=1/C29H50N2O2/c1-28-12-11-22-21(23(28)18-24(27(28)33)30-13-5-3-6-14-30)10-9-20-17-26(32)25(19-29(20,22)2)31-15-7-4-8-16-31/h20-27,32-33H,3-19H2,1-2H3


name: Pindolol
cas: 13523-86-9
chebiid: CHEBI:8214
chemspiderid: 4662
dtxsid: DTXSID8023476
formula: C14H20N2O2
inchikey: JZQKKSLKJUAGIC-UHFFFAOYSA-N
norman_susdat_id: NS00007947
pubchem_cid: 4828
smiles: CC(C)NCC(O)COc1cccc2[nH]ccc12
inchi:
InChI=1S/C14H20N2O2/c1-10(2)16-8-11(17)9-18-14-5-3-4-13-12(14)6-7-15-13/h3-7,10-11,15-17H,8-9H2,1-2H3


name: 2-{[3-(4-cyanonaphthalen-1-yl)pyridin-4-yl]sulfanyl}-2-methylpropanoic acid
cas: 1352792-74-5
formula: C20H16N2O2S
inchikey: YYBOLPLTQDKXPM-UHFFFAOYSA-N
norman_susdat_id: NS00073591
pubchem_cid: 54767229
smiles: CC(C)(Sc1ccncc1-c1ccc(C#N)c2ccccc12)C(=O)O
inchi:
InChI=1S/C20H16N2O2S/c1-20(2,19(23)24)25-18-9-10-22-12-17(18)16-8-7-13(11-21)14-5-3-4-6-15(14)16/h3-10,12H,1-2H3,(H,23,24)


name: 2-Hydroxypropyl nortadalafil
cas: 1353020-85-5
chemspiderid: 48059950
formula: C24H23N3O5
inchikey: YGRCGCUDAOLEEX-GOYXPVIASA-N
norman_susdat_id: NS00015862
pubchem_cid: 10113712
smiles: CC(CN1CC(=O)N2C(C1=O)CC3=C(C2C4=CC5=C(C=C4)OCO5)NC6=CC=CC=C36)O
inchi:
InChI=1S/C24H23N3O5/c1-13(28)10-26-11-21(29)27-18(24(26)30)9-16-15-4-2-3-5-17(15)25-22(16)23(27)14-6-7-19-20(8-14)32-12-31-19/h2-8,13,18,23,25,28H,9-12H2,1H3/t13-,18-,23-/m1/s1


name: N,O-Didesmethylvenlafaxine
cas: 135308-74-6
chebiid: CHEBI:83529
chemspiderid: 2693701
dtxsid: DTXSID10891441
formula: C15H23N1O2
inchikey: MMSWXJSQCAEDLK-UHFFFAOYSA-N
norman_susdat_id: NS00000347
pubchem_cid: 3451347
smiles: OC2(C(c1ccc(O)cc1)CNC)CCCCC2
inchi:
InChI=1S/C15H23NO2/c1-16-11-14(12-5-7-13(17)8-6-12)15(18)9-3-2-4-10-15/h5-8,14,16-18H,2-4,9-11H2,1H3


name: 4-(ethyl(2-hydroxyethyl)amino)benzenediazonium zinc chloride
cas: 13532-96-2
formula: C10H14N3O.xCl2Zn.Cl
inchikey: YCCMROKJAZCBJX-UHFFFAOYSA-M
norman_susdat_id: NS00086412
smiles: [Cl-].[Zn+2].CCN(CCO)c1ccc(cc1)[N+]#N
inchi:
InChI=1/C10H14N3O.ClH.Zn/c1-2-13(7-8-14)10-5-3-9(12-11)4-6-10;;/h3-6,14H,2,7-8H2,1H3;1H;/q+1;;+2/p-1


name: GADOXETIC ACID
cas: 135326-11-3
chemspiderid: 164557
formula: C23H33N3O11
inchikey: AQOXEJNYXXLRQQ-UHFFFAOYSA-N
norman_susdat_id: NS00014337
pubchem_cid: 450097
inchi:
InChI=1S/C23H33N3O11/c1-2-37-18-5-3-16(4-6-18)9-17(26(14-22(33)34)15-23(35)36)10-24(11-19(27)28)7-8-25(12-20(29)30)13-21(31)32/h3-6,17H,2,7-15H2,1H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)(H,35,36)/t17-/m0/s1

smiles:
[Gd+3]|1|2|N(CCN|1(CC([O-])=O)CC([O-])=O)(C[C@H](Cc3ccc(OCC)cc3)N|2(CC([O-])=O)CC([O-])=O)CC([O-])=O.[H+].[H+]


name: Oleyl methacrylate
cas: 13533-08-9
dtxsid: DTXSID60883492
formula: C22H40O2
inchikey: BXOBFMUWVVHLFK-QXMHVHEDSA-N
norman_susdat_id: NS00052438
pubchem_cid: 6436390
smiles: O=C(OCCCCCCCCC=CCCCCCCCC)C(=C)C
inchi:
InChI=1/C22H40O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-22(23)21(2)3/h11-12H,2,4-10,13-20H2,1,3H3


name: Oleyl acrylate
cas: 13533-18-1
dtxsid: DTXSID20883493
formula: C21H38O2
inchikey: ASAPXSLRMDUMFX-QXMHVHEDSA-N
norman_susdat_id: NS00052035
pubchem_cid: 6436391
smiles: O=C(OCCCCCCCCC=CCCCCCCCC)C=C
inchi:
InChI=1/C21H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-21(22)4-2/h4,11-12H,2-3,5-10,13-20H2,1H3


name: Ethyl 2-(pentadecafluoroheptyl)imidazo[1,2-a]pyridine-3-carboxylate
cas: 135339-05-8
dtxsid: DTXSID50896278
formula: C17H9F15N2O2
inchikey: AILIUGSCIINIHV-UHFFFAOYSA-N
norman_susdat_id: NS00110778
smiles: CCOC(=O)c1c(nc2ccccn12)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C17H9F15N2O2/c1-2-36-10(35)8-9(33-7-5-3-4-6-34(7)8)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h3-6H,2H2,1H3


name: Xaliproden
cas: 135354-02-8
chebiid: CHEBI:48520
dtxsid: DTXSID9048306
formula: C24H22F3N
inchikey: WJJYZXPHLSLMGE-UHFFFAOYSA-N
norman_susdat_id: NS00068312
pubchem_cid: 128919
smiles: FC(F)(F)c1cccc(C2=CCN(CCc3ccc4ccccc4c3)CC2)c1
inchi:
InChI=1S/C24H22F3N/c25-24(26,27)23-7-3-6-22(17-23)20-11-14-28(15-12-20)13-10-18-8-9-19-4-1-2-5-21(19)16-18/h1-9,11,16-17H,10,12-15H2


cas: 1353550-13-6
formula: C26H26N6O2S
inchikey: FDMQDKQUTRLUBU-UHFFFAOYSA-N
norman_susdat_id: NS00073590
pubchem_cid: 54758501
smiles: C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)nc3ccsc23)c1
name:
N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}thieno[3,2-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamide

inchi:
InChI=1S/C26H26N6O2S/c1-3-23(33)27-19-5-4-6-21(17-19)34-25-24-22(11-16-35-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32/h3-11,16-17H,1,12-15H2,2H3,(H,27,33)(H,28,29,30)


cas: 1353625-73-6
formula: C24H30ClN7O3S
inchikey: GOFXWTVKPWJNGD-UWJYYQICSA-N
norman_susdat_id: NS00073435
pubchem_cid: 58029842
smiles: Cc1cn2nc([C@@H]3CCCCN3C(=O)c3cc(Cl)ccc3NS(C)(=O)=O)cc2nc1N1CC[C@H](N)C1
name:
N-(2-{2-[5-(3-aminopyrrolidin-1-yl)-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidine-1-carbonyl}-4-chlorophenyl)methanesulfonamide

inchi:
InChI=1S/C24H30ClN7O3S/c1-15-13-32-22(27-23(15)30-10-8-17(26)14-30)12-20(28-32)21-5-3-4-9-31(21)24(33)18-11-16(25)6-7-19(18)29-36(2,34)35/h6-7,11-13,17,21,29H,3-5,8-10,14,26H2,1-2H3/t17-,21-/m0/s1


name: 2,5-Bis(dodecyldithio)-1,3,4-thiadiazole
cas: 13539-12-3
chemspiderid: 75292
dtxsid: DTXSID80159328
formula: C26H50N2S5
inchikey: ZBADMMCYTSORHN-UHFFFAOYSA-N
norman_susdat_id: NS00024385
pubchem_cid: 83567
smiles: CCCCCCCCCCCCSSc1nnc(SSCCCCCCCCCCCC)s1
inchi:
InChI=1S/C26H50N2S5/c1-3-5-7-9-11-13-15-17-19-21-23-29-32-25-27-28-26(31-25)33-30-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3


name: 1,3,4-Thiadiazole, 2,5-bis(octyldithio)-
cas: 13539-13-4
chemspiderid: 75398
dtxsid: DTXSID0074001
formula: C18H34N2S5
inchikey: ZFOMEJJNWNWWIB-UHFFFAOYSA-N
norman_susdat_id: NS00019547
pubchem_cid: 83568
smiles: CCCCCCCCSSc1nnc(SSCCCCCCCC)s1
inchi:
InChI=1S/C18H34N2S5/c1-3-5-7-9-11-13-15-21-24-17-19-20-18(23-17)25-22-16-14-12-10-8-6-4-2/h3-16H2,1-2H3


name: Azapropazone
cas: 13539-59-8
chebiid: CHEBI:38010
chemspiderid: 24310
dtxsid: DTXSID6045408
formula: C16H20N4O2
inchikey: MPHPHYZQRGLTBO-UHFFFAOYSA-N
norman_susdat_id: NS00009426
pubchem_cid: 26098
smiles: CCCC1C(=O)N2N(C1=O)c1cc(C)ccc1N=C2N(C)C
inchi:
InChI=1S/C16H20N4O2/c1-5-6-11-14(21)19-13-9-10(2)7-8-12(13)17-16(18(3)4)20(19)15(11)22/h7-9,11H,5-6H2,1-4H3


name: Ethyl 3-(2-amino-1-cyanoeth-1-en-1-yl)-6,7-dichloro-1-methyl-1h-indole-2-carboxylate
cas: 1354037-26-5
formula: C15H13Cl2N3O2
inchikey: CXJCGSPAPOTTSF-VURMDHGXSA-N
norman_susdat_id: NS00071958
pubchem_cid: 44237094
smiles: CCOC(=O)c1c(/C(C#N)=CN)c2ccc(Cl)c(Cl)c2n1C
inchi:
InChI=1S/C15H13Cl2N3O2/c1-3-22-15(21)14-11(8(6-18)7-19)9-4-5-10(16)12(17)13(9)20(14)2/h4-6H,3,18H2,1-2H3/b8-6-


name: 2-(Heptadecafluorooctyl)butane-1,4-diol
cas: 135440-42-5
dtxsid: DTXSID90895563
formula: C12H9F17O2
inchikey: HHXFCKYGOIQRBI-UHFFFAOYSA-N
norman_susdat_id: NS00112101
smiles: OCCC(CO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C12H9F17O2/c13-5(14,4(3-31)1-2-30)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h4,30-31H,1-3H2


name: Ethyl orange
cas: 13545-67-0
dtxsid: DTXSID3065530
formula: C16H19N3O3S
inchikey: OORQUAGUOJMPCS-UHFFFAOYSA-N
norman_susdat_id: NS00052078
pubchem_cid: 83571
smiles: O=S(=O)(O)C1=CC=C(N=NC2=CC=C(C=C2)N(CC)CC)C=C1
inchi:
InChI=1/C16H19N3O3S/c1-3-19(4-2)15-9-5-13(6-10-15)17-18-14-7-11-16(12-8-14)23(20,21)22/h5-12H,3-4H2,1-2H3,(H,20,21,22)


cas: 135452-42-5
chemspiderid: 13542183
formula: C26H32O4
inchikey: AVZGRVCEWBPUNN-UHFFFAOYSA-N
norman_susdat_id: NS00004538
pubchem_cid: 18362422
smiles: CC(C)(O)C(=O)c1ccc(cc1)C1(C)CC(C)(C)c2ccc(cc12)C(=O)C(C)(C)O
name:
2-Hydroxy-1-{3-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-1,1,3-trimethyl-2,3-dihydro-1H-inden-5-yl}-2-methylpropan-1-one

inchi:
InChI=1S/C26H32O4/c1-23(2)15-26(7,18-11-8-16(9-12-18)21(27)24(3,4)29)20-14-17(10-13-19(20)23)22(28)25(5,6)30/h8-14,29-30H,15H2,1-7H3


cas: 135452-43-6
chemspiderid: 14572246
formula: C26H32O4
inchikey: MRBZZNMTRWISRD-UHFFFAOYSA-N
norman_susdat_id: NS00008055
pubchem_cid: 15724700
smiles: CC(C)(O)C(=O)c1ccc(cc1)C1(C)CC(C)(C)c2cc(ccc12)C(=O)C(C)(C)O
name:
2-hydroxy-1-{1-[4-(2-hydroxy-2-methylpropanoyl)phenyl]-1,3,3-trimethyl-2,3-dihydro-1H-inden-5-yl}-2-methylpropan-1-one

inchi:
InChI=1S/C26H32O4/c1-23(2)15-26(7,18-11-8-16(9-12-18)21(27)24(3,4)29)19-13-10-17(14-20(19)23)22(28)25(5,6)30/h8-14,29-30H,15H2,1-7H3


name: Ranelic acid
cas: 135459-90-4
chemspiderid: 2314551
dtxsid: DTXSID3048237
formula: C12H10N2O8S1
inchikey: DJSXNILVACEBLP-UHFFFAOYSA-N
norman_susdat_id: NS00008161
pubchem_cid: 3052774
smiles: OC(=O)CN(CC(O)=O)c1sc(C(O)=O)c(CC(O)=O)c1C#N
inchi:
InChI=1S/C12H10N2O8S/c13-2-6-5(1-7(15)16)10(12(21)22)23-11(6)14(3-8(17)18)4-9(19)20/h1,3-4H2,(H,15,16)(H,17,18)(H,19,20)(H,21,22)


name: Coluracetam
cas: 135463-81-9
dtxsid: DTXSID60159386
formula: C19H23N3O3
inchikey: PSPGQHXMUKWNDI-UHFFFAOYSA-N
norman_susdat_id: NS00067957
smiles: CC1=C(C)C2=C(NC(=O)CN3CCCC3=O)C3=C(CCCC3)N=C2O1
inchi:
InChI=1S/C19H23N3O3/c1-11-12(2)25-19-17(11)18(13-6-3-4-7-14(13)20-19)21-15(23)10-22-9-5-8-16(22)24/h3-10H2,1-2H3,(H,20,21,23)


name: (1-butyl-1H-indol-3-yl)(4-methylnaphthalen-1-yl)methanone (JWH 073 4-methylnaphthyl analog)
cas: 1354631-21-2
chemspiderid: 29341457
dtxsid: DTXSID601017183
formula: C24H23N1O1
inchikey: DOKBVCMQPGKQGV-UHFFFAOYSA-N
norman_susdat_id: NS00017645
pubchem_cid: 91743259
smiles: CCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)C
inchi:
InChI=1S/C24H23NO/c1-3-4-15-25-16-22(20-11-7-8-12-23(20)25)24(26)21-14-13-17(2)18-9-5-6-10-19(18)21/h5-14,16H,3-4,15H2,1-2H3


name: MAM-2201 (JWH-122-F-Pentyl)
cas: 1354631-24-5
chemspiderid: 28289977
dtxsid: DTXSID20159387
formula: C25H24FNO
inchikey: IGBHZHCGWLHBAE-UHFFFAOYSA-N
norman_susdat_id: NS00098697
pubchem_cid: 66570720
smiles: Cc1ccc(c2c1cccc2)C(=O)c3cn(c4c3cccc4)CCCCCF
inchi:
InChI=1S/C25H24FNO/c1-18-13-14-22(20-10-4-3-9-19(18)20)25(28)23-17-27(16-8-2-7-15-26)24-12-6-5-11-21(23)24/h3-6,9-14,17H,2,7-8,15-16H2,1H3


name: 1-(5-Fluoropentyl)-N-(tricyclo[3.3.1.1~3,7~]decan-1-yl)-1H-indole-3-carboxamide
cas: 1354631-26-7
chemspiderid: 28189067
dtxsid: DTXSID40725427
formula: C24H31F1N2O1
inchikey: COYHGVCHRRXECF-UHFFFAOYSA-N
norman_susdat_id: NS00017341
pubchem_cid: 57404059
smiles: C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CN(C5=CC=CC=C54)CCCCCF
inchi:
InChI=1S/C24H31FN2O/c25-8-4-1-5-9-27-16-21(20-6-2-3-7-22(20)27)23(28)26-24-13-17-10-18(14-24)12-19(11-17)15-24/h2-3,6-7,16-19H,1,4-5,8-15H2,(H,26,28)


name: 2-aminooctadecane-1,3-diol
cas: 13552-09-5
chebiid: CHEBI:46968
formula: C18H39NO2
inchikey: OTKJDMGTUTTYMP-UHFFFAOYSA-N
norman_susdat_id: NS00085670
smiles: CCCCCCCCCCCCCCCC(O)C(N)CO
inchi:
InChI=1/C18H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)17(19)16-20/h17-18,20-21H,2-16,19H2,1H3


name: Undecanoic acid, 1,2,3-propanetriyl ester
cas: 13552-80-2
chebiid: CHEBI:172766
chemspiderid: 75404
dtxsid: DTXSID3065532
formula: C36H68O6
inchikey: MBXVIRZWSHICAV-UHFFFAOYSA-N
norman_susdat_id: NS00014190
pubchem_cid: 83574
smiles: CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCC)OC(=O)CCCCCCCCCC
inchi:
InChI=1S/C36H68O6/c1-4-7-10-13-16-19-22-25-28-34(37)40-31-33(42-36(39)30-27-24-21-18-15-12-9-6-3)32-41-35(38)29-26-23-20-17-14-11-8-5-2/h33H,4-32H2,1-3H3


name: Rifamycin, 1,4-dideoxy-1,4-dihydro-1,4-dioxo-
cas: 13553-79-2
formula: C37H37NO12
inchikey: WMJMYCRTJMPEGE-UHFFFAOYSA-N
norman_susdat_id: NS00053411
pubchem_cid: NA
inchi:
InChI=1/C37H37NO12/c1-16-11-10-12-17(2)36(46)38-23-15-24(40)26-27(32(23)44)31(43)21(6)34-28(26)35(45)37(8,50-34)48-14-13-25(47-9)18(3)33(49-22(7)39)20(5)30(42)19(4)29(16)41/h10-15,41-43H,1-9H3,(H,38,46)

smiles:
O=C1C=C2NC(=O)C(=CC=CC(=C(O)C(=C(O)C(=C(OC(=O)C)C(=C(OC)C=COC3(OC4=C(C3=O)C1=C(C2=O)C(O)=C4C)C)C)C)C)C)C


name: 2-[(2-cyanoethyl)[4-[(2-cyano-4-nitrophenyl)azo]phenyl]amino]ethyl phenoxyacetate
cas: 13555-64-1
formula: C26H23N6O5
inchikey: NNTORMOUOAPPSO-UHFFFAOYSA-N
norman_susdat_id: NS00052391
pubchem_cid: 83575
smiles: N#CC1=CC(=CC=C1N=NC2=CC=C(C=C2)N(CCC#N)CCOC(=O)COC=3C=CC=CC3)[N+](=O)[O-]
inchi:
InChI=1/C26H22N6O5/c27-13-4-14-31(15-16-36-26(33)19-37-24-5-2-1-3-6-24)22-9-7-21(8-10-22)29-30-25-12-11-23(32(34)35)17-20(25)18-28/h1-3,5-12,17H,4,14-16,19H2


name: 4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methyl-3-(methylsulfanyl)benzoic acid
cas: 1355553-97-7
dtxsid: DTXSID00896389
formula: C12H9F7O2S
inchikey: BWHCIIWTBRIJMZ-UHFFFAOYSA-N
norman_susdat_id: NS00109054
smiles: CSc1c(C)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C12H9F7O2S/c1-5-6(9(20)21)3-4-7(8(5)22-2)10(13,11(14,15)16)12(17,18)19/h3-4H,1-2H3,(H,20,21)


name: 3-(Ethylsulfanyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylbenzoic acid
cas: 1355553-99-9
dtxsid: DTXSID10896390
formula: C13H11F7O2S
inchikey: HCUYGOAWRHDYLA-UHFFFAOYSA-N
norman_susdat_id: NS00109417
smiles: CCSc1c(C)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C13H11F7O2S/c1-3-23-9-6(2)7(10(21)22)4-5-8(9)11(14,12(15,16)17)13(18,19)20/h4-5H,3H2,1-2H3,(H,21,22)


name: 4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methyl-3-(propylsulfanyl)benzoic acid
cas: 1355554-03-8
dtxsid: DTXSID90896398
formula: C14H13F7O2S
inchikey: TYRUJIWJMQTQAU-UHFFFAOYSA-N
norman_susdat_id: NS00112169
smiles: CCCSc1c(C)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C14H13F7O2S/c1-3-6-24-10-7(2)8(11(22)23)4-5-9(10)12(15,13(16,17)18)14(19,20)21/h4-5H,3,6H2,1-2H3,(H,22,23)


name: 4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methyl-3-[(propan-2-yl)sulfanyl]benzoic acid
cas: 1355554-05-0
dtxsid: DTXSID10896395
formula: C14H13F7O2S
inchikey: LJQYAZUPTSCPSX-UHFFFAOYSA-N
norman_susdat_id: NS00109418
smiles: CC(C)Sc1c(C)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C14H13F7O2S/c1-6(2)24-10-7(3)8(11(22)23)4-5-9(10)12(15,13(16,17)18)14(19,20)21/h4-6H,1-3H3,(H,22,23)


name: 3-(Butylsulfanyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylbenzoic acid
cas: 1355554-07-2
dtxsid: DTXSID60896406
formula: C15H15F7O2S
inchikey: UYFUBWJKEUQVTN-UHFFFAOYSA-N
norman_susdat_id: NS00111126
smiles: CCCCSc1c(C)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C15H15F7O2S/c1-3-4-7-25-11-8(2)9(12(23)24)5-6-10(11)13(16,14(17,18)19)15(20,21)22/h5-6H,3-4,7H2,1-2H3,(H,23,24)


name: 4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methyl-3-[(2-methylpropyl)sulfanyl]benzoic acid
cas: 1355554-12-9
dtxsid: DTXSID60896401
formula: C15H15F7O2S
inchikey: TZRKRIPOSNUFSS-UHFFFAOYSA-N
norman_susdat_id: NS00111125
smiles: CC(C)CSc1c(C)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C15H15F7O2S/c1-7(2)6-25-11-8(3)9(12(23)24)4-5-10(11)13(16,14(17,18)19)15(20,21)22/h4-5,7H,6H2,1-3H3,(H,23,24)


name: 3-[(Butan-2-yl)sulfanyl]-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylbenzoic acid
cas: 1355554-14-1
dtxsid: DTXSID40896404
formula: C15H15F7O2S
inchikey: DMUDOWYIYPORNE-UHFFFAOYSA-N
norman_susdat_id: NS00110449
smiles: CCC(C)Sc1c(C)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1/C15H15F7O2S/c1-4-7(2)25-11-8(3)9(12(23)24)5-6-10(11)13(16,14(17,18)19)15(20,21)22/h5-7H,4H2,1-3H3,(H,23,24)


name: 3-(tert-Butylsulfanyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylbenzoic acid
cas: 1355554-16-3
dtxsid: DTXSID00896400
formula: C15H15F7O2S
inchikey: CYBKWPNQAIVNCQ-UHFFFAOYSA-N
norman_susdat_id: NS00109055
smiles: Cc1c(ccc(c1SC(C)(C)C)C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C15H15F7O2S/c1-7-8(11(23)24)5-6-9(10(7)25-12(2,3)4)13(16,14(17,18)19)15(20,21)22/h5-6H,1-4H3,(H,23,24)


name: 4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-3-(methanesulfinyl)-2-methylbenzoic acid
cas: 1355554-19-6
dtxsid: DTXSID80896408
formula: C12H9F7O3S
inchikey: UMLXVOGCYVWMHN-UHFFFAOYSA-N
norman_susdat_id: NS00111818
smiles: Cc1c(ccc(c1S(C)=O)C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1/C12H9F7O3S/c1-5-6(9(20)21)3-4-7(8(5)23(2)22)10(13,11(14,15)16)12(17,18)19/h3-4H,1-2H3,(H,20,21)


name: 3-(Ethanesulfinyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylbenzoic acid
cas: 1355554-21-0
dtxsid: DTXSID10896416
formula: C13H11F7O3S
inchikey: ZGWWTUUDEMTZJF-UHFFFAOYSA-N
norman_susdat_id: NS00109420
smiles: CCS(=O)c1c(C)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1/C13H11F7O3S/c1-3-24(23)9-6(2)7(10(21)22)4-5-8(9)11(14,12(15,16)17)13(18,19)20/h4-5H,3H2,1-2H3,(H,21,22)


name: 4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methyl-3-(propane-1-sulfinyl)benzoic acid
cas: 1355554-25-4
dtxsid: DTXSID60896426
formula: C14H13F7O3S
inchikey: PHRLHSJILRHISJ-UHFFFAOYSA-N
norman_susdat_id: NS00111128
smiles: CCCS(=O)c1c(C)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1/C14H13F7O3S/c1-3-6-25(24)10-7(2)8(11(22)23)4-5-9(10)12(15,13(16,17)18)14(19,20)21/h4-5H,3,6H2,1-2H3,(H,22,23)


name: 4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methyl-3-(propane-2-sulfinyl)benzoic acid
cas: 1355554-27-6
dtxsid: DTXSID90896419
formula: C14H13F7O3S
inchikey: YKMRUYHMRZBFEE-UHFFFAOYSA-N
norman_susdat_id: NS00112171
smiles: CC(C)S(=O)c1c(C)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1/C14H13F7O3S/c1-6(2)25(24)10-7(3)8(11(22)23)4-5-9(10)12(15,13(16,17)18)14(19,20)21/h4-6H,1-3H3,(H,22,23)


name: 3-(Butane-1-sulfinyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylbenzoic acid
cas: 1355554-30-1
dtxsid: DTXSID70896437
formula: C15H15F7O3S
inchikey: NOCFTMQAASCYOT-UHFFFAOYSA-N
norman_susdat_id: NS00111488
smiles: CCCCS(=O)c1c(C)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1/C15H15F7O3S/c1-3-4-7-26(25)11-8(2)9(12(23)24)5-6-10(11)13(16,14(17,18)19)15(20,21)22/h5-6H,3-4,7H2,1-2H3,(H,23,24)


name: 4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methyl-3-(2-methylpropane-1-sulfinyl)benzoic acid
cas: 1355554-32-3
dtxsid: DTXSID40896429
formula: C15H15F7O3S
inchikey: NPKUTOKUMQVOQM-UHFFFAOYSA-N
norman_susdat_id: NS00110452
smiles: CC(C)CS(=O)c1c(C)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1/C15H15F7O3S/c1-7(2)6-26(25)11-8(3)9(12(23)24)4-5-10(11)13(16,14(17,18)19)15(20,21)22/h4-5,7H,6H2,1-3H3,(H,23,24)


name: 3-(Butane-2-sulfinyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylbenzoic acid
cas: 1355554-34-5
dtxsid: DTXSID70896432
formula: C15H15F7O3S
inchikey: OLNXGOQWYCILBL-UHFFFAOYSA-N
norman_susdat_id: NS00111487
smiles: CCC(C)S(=O)c1c(C)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1/C15H15F7O3S/c1-4-7(2)26(25)11-8(3)9(12(23)24)5-6-10(11)13(16,14(17,18)19)15(20,21)22/h5-7H,4H2,1-3H3,(H,23,24)


name: 4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methyl-3-(2-methylpropane-2-sulfinyl)benzoic acid
cas: 1355554-39-0
dtxsid: DTXSID00896425
formula: C15H15F7O3S
inchikey: OWMOEIOYKZKBPX-UHFFFAOYSA-N
norman_susdat_id: NS00109058
smiles: Cc1c(ccc(c1S(=O)C(C)(C)C)C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1/C15H15F7O3S/c1-7-8(11(23)24)5-6-9(10(7)26(25)12(2,3)4)13(16,14(17,18)19)15(20,21)22/h5-6H,1-4H3,(H,23,24)


name: 4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-3-(methanesulfonyl)-2-methylbenzoic acid
cas: 1355554-41-4
dtxsid: DTXSID70896417
formula: C12H9F7O4S
inchikey: YLRHMZZOLAUGTI-UHFFFAOYSA-N
norman_susdat_id: NS00111486
smiles: Cc1c(ccc(c1S(C)(=O)=O)C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C12H9F7O4S/c1-5-6(9(20)21)3-4-7(8(5)24(2,22)23)10(13,11(14,15)16)12(17,18)19/h3-4H,1-2H3,(H,20,21)


name: 3-(Ethanesulfonyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylbenzoic acid
cas: 1355554-44-7
dtxsid: DTXSID80896423
formula: C13H11F7O4S
inchikey: YGNLFPZAYHGIFN-UHFFFAOYSA-N
norman_susdat_id: NS00111819
smiles: CCS(=O)(=O)c1c(C)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C13H11F7O4S/c1-3-25(23,24)9-6(2)7(10(21)22)4-5-8(9)11(14,12(15,16)17)13(18,19)20/h4-5H,3H2,1-2H3,(H,21,22)


name: 4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methyl-3-(propane-1-sulfonyl)benzoic acid
cas: 1355554-46-9
dtxsid: DTXSID30896438
formula: C14H13F7O4S
inchikey: MOMULFNXMSGBHM-UHFFFAOYSA-N
norman_susdat_id: NS00110111
smiles: CCCS(=O)(=O)c1c(C)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C14H13F7O4S/c1-3-6-26(24,25)10-7(2)8(11(22)23)4-5-9(10)12(15,13(16,17)18)14(19,20)21/h4-5H,3,6H2,1-2H3,(H,22,23)


name: 4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methyl-3-(propane-2-sulfonyl)benzoic acid
cas: 1355554-50-5
dtxsid: DTXSID20896427
formula: C14H13F7O4S
inchikey: DHRYMCIAADJXIM-UHFFFAOYSA-N
norman_susdat_id: NS00109765
smiles: CC(C)S(=O)(=O)c1c(C)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C14H13F7O4S/c1-6(2)26(24,25)10-7(3)8(11(22)23)4-5-9(10)12(15,13(16,17)18)14(19,20)21/h4-6H,1-3H3,(H,22,23)


name: 3-(Butane-1-sulfonyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylbenzoic acid
cas: 1355554-53-8
dtxsid: DTXSID60896446
formula: C15H15F7O4S
inchikey: AWMKZRNAKWGQAT-UHFFFAOYSA-N
norman_susdat_id: NS00111130
smiles: CCCCS(=O)(=O)c1c(C)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C15H15F7O4S/c1-3-4-7-27(25,26)11-8(2)9(12(23)24)5-6-10(11)13(16,14(17,18)19)15(20,21)22/h5-6H,3-4,7H2,1-2H3,(H,23,24)


name: 4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methyl-3-(2-methylpropane-1-sulfonyl)benzoic acid
cas: 1355554-54-9
dtxsid: DTXSID00896440
formula: C15H15F7O4S
inchikey: YBVHCEZVUUHBRF-UHFFFAOYSA-N
norman_susdat_id: NS00109059
smiles: CC(C)CS(=O)(=O)c1c(C)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C15H15F7O4S/c1-7(2)6-27(25,26)11-8(3)9(12(23)24)4-5-10(11)13(16,14(17,18)19)15(20,21)22/h4-5,7H,6H2,1-3H3,(H,23,24)


name: 3-(Butane-2-sulfonyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylbenzoic acid
cas: 1355554-57-2
dtxsid: DTXSID60896441
formula: C15H15F7O4S
inchikey: YTTVATTUNZLFSZ-UHFFFAOYSA-N
norman_susdat_id: NS00111129
smiles: CCC(C)S(=O)(=O)c1c(C)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1/C15H15F7O4S/c1-4-7(2)27(25,26)11-8(3)9(12(23)24)5-6-10(11)13(16,14(17,18)19)15(20,21)22/h5-7H,4H2,1-3H3,(H,23,24)


name: 4-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-2-methyl-3-(2-methylpropane-2-sulfonyl)benzoic acid
cas: 1355554-59-4
dtxsid: DTXSID90896434
formula: C15H15F7O4S
inchikey: SVXFKLALCWALDG-UHFFFAOYSA-N
norman_susdat_id: NS00112172
smiles: Cc1c(ccc(c1S(=O)(=O)C(C)(C)C)C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C15H15F7O4S/c1-7-8(11(23)24)5-6-9(10(7)27(25,26)12(2,3)4)13(16,14(17,18)19)15(20,21)22/h5-6H,1-4H3,(H,23,24)


name: 2-Ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(methylsulfanyl)benzoic acid
cas: 1355554-62-9
dtxsid: DTXSID70896391
formula: C13H11F7O2S
inchikey: MKXUBDUGXDCTII-UHFFFAOYSA-N
norman_susdat_id: NS00111483
smiles: CCc1c(SC)c(ccc1C(O)=O)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C13H11F7O2S/c1-3-6-7(10(21)22)4-5-8(9(6)23-2)11(14,12(15,16)17)13(18,19)20/h4-5H,3H2,1-2H3,(H,21,22)


name: 2-Ethyl-3-(ethylsulfanyl)-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzoic acid
cas: 1355554-66-3
dtxsid: DTXSID70896396
formula: C14H13F7O2S
inchikey: NAHRLDLWXIFVMJ-UHFFFAOYSA-N
norman_susdat_id: NS00111484
smiles: CCSc1c(CC)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C14H13F7O2S/c1-3-7-8(11(22)23)5-6-9(10(7)24-4-2)12(15,13(16,17)18)14(19,20)21/h5-6H,3-4H2,1-2H3,(H,22,23)


name: 2-Ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(propylsulfanyl)benzoic acid
cas: 1355554-68-5
dtxsid: DTXSID00896405
formula: C15H15F7O2S
inchikey: DBHZHJRABYVYDT-UHFFFAOYSA-N
norman_susdat_id: NS00109056
smiles: CCCSc1c(CC)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C15H15F7O2S/c1-3-7-25-11-8(4-2)9(12(23)24)5-6-10(11)13(16,14(17,18)19)15(20,21)22/h5-6H,3-4,7H2,1-2H3,(H,23,24)


name: 2-Ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-[(propan-2-yl)sulfanyl]benzoic acid
cas: 1355554-70-9
dtxsid: DTXSID50896399
formula: C15H15F7O2S
inchikey: UWANKTMJFLSJKU-UHFFFAOYSA-N
norman_susdat_id: NS00110790
smiles: CCc1c(ccc(c1SC(C)C)C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C15H15F7O2S/c1-4-8-9(12(23)24)5-6-10(11(8)25-7(2)3)13(16,14(17,18)19)15(20,21)22/h5-7H,4H2,1-3H3,(H,23,24)


name: 3-(Butylsulfanyl)-2-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzoic acid
cas: 1355554-72-1
dtxsid: DTXSID30896413
formula: C16H17F7O2S
inchikey: IBHZZLZFWFTURK-UHFFFAOYSA-N
norman_susdat_id: NS00110108
smiles: CCCCSc1c(CC)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C16H17F7O2S/c1-3-5-8-26-12-9(4-2)10(13(24)25)6-7-11(12)14(17,15(18,19)20)16(21,22)23/h6-7H,3-5,8H2,1-2H3,(H,24,25)


name: 2-Ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-[(2-methylpropyl)sulfanyl]benzoic acid
cas: 1355554-74-3
dtxsid: DTXSID10896411
formula: C16H17F7O2S
inchikey: LUCAYPQGWNVYFO-UHFFFAOYSA-N
norman_susdat_id: NS00109419
smiles: CCc1c(ccc(c1SCC(C)C)C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C16H17F7O2S/c1-4-9-10(13(24)25)5-6-11(12(9)26-7-8(2)3)14(17,15(18,19)20)16(21,22)23/h5-6,8H,4,7H2,1-3H3,(H,24,25)


name: 3-[(Butan-2-yl)sulfanyl]-2-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzoic acid
cas: 1355554-79-8
dtxsid: DTXSID70896412
formula: C16H17F7O2S
inchikey: NMXPNPXHWNDRTQ-UHFFFAOYSA-N
norman_susdat_id: NS00111485
smiles: CCC(C)Sc1c(CC)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1/C16H17F7O2S/c1-4-8(3)26-12-9(5-2)10(13(24)25)6-7-11(12)14(17,15(18,19)20)16(21,22)23/h6-8H,4-5H2,1-3H3,(H,24,25)


name: 3-(tert-Butylsulfanyl)-2-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzoic acid
cas: 1355554-81-2
dtxsid: DTXSID40896409
formula: C16H17F7O2S
inchikey: ISKZCAFAIREMLK-UHFFFAOYSA-N
norman_susdat_id: NS00110450
smiles: CCc1c(SC(C)(C)C)c(ccc1C(O)=O)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C16H17F7O2S/c1-5-8-9(12(24)25)6-7-10(11(8)26-13(2,3)4)14(17,15(18,19)20)16(21,22)23/h6-7H,5H2,1-4H3,(H,24,25)


name: 2-Ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(methanesulfinyl)benzoic acid
cas: 1355554-84-5
dtxsid: DTXSID90896414
formula: C13H11F7O3S
inchikey: YLKVZAFTIYTNFW-UHFFFAOYSA-N
norman_susdat_id: NS00112170
smiles: CCc1c(ccc(c1S(C)=O)C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1/C13H11F7O3S/c1-3-6-7(10(21)22)4-5-8(9(6)24(2)23)11(14,12(15,16)17)13(18,19)20/h4-5H,3H2,1-2H3,(H,21,22)


name: 3-(Ethanesulfinyl)-2-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzoic acid
cas: 1355554-87-8
dtxsid: DTXSID60896421
formula: C14H13F7O3S
inchikey: DPJOHDGIIXCPLJ-UHFFFAOYSA-N
norman_susdat_id: NS00111127
smiles: CCc1c(ccc(c1S(=O)CC)C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1/C14H13F7O3S/c1-3-7-8(11(22)23)5-6-9(10(7)25(24)4-2)12(15,13(16,17)18)14(19,20)21/h5-6H,3-4H2,1-2H3,(H,22,23)


name: 2-Ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(propane-1-sulfinyl)benzoic acid
cas: 1355554-90-3
dtxsid: DTXSID30896433
formula: C15H15F7O3S
inchikey: KCAOHFXHRQVGFR-UHFFFAOYSA-N
norman_susdat_id: NS00110110
smiles: CCCS(=O)c1c(CC)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1/C15H15F7O3S/c1-3-7-26(25)11-8(4-2)9(12(23)24)5-6-10(11)13(16,14(17,18)19)15(20,21)22/h5-6H,3-4,7H2,1-2H3,(H,23,24)


name: 2-Ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(propane-2-sulfinyl)benzoic acid
cas: 1355554-94-7
dtxsid: DTXSID40896424
formula: C15H15F7O3S
inchikey: QPHRSUKAALEXCT-UHFFFAOYSA-N
norman_susdat_id: NS00110451
smiles: CCc1c(ccc(c1S(=O)C(C)C)C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1/C15H15F7O3S/c1-4-8-9(12(23)24)5-6-10(11(8)26(25)7(2)3)13(16,14(17,18)19)15(20,21)22/h5-7H,4H2,1-3H3,(H,23,24)


name: 3-(Butane-1-sulfinyl)-2-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzoic acid
cas: 1355554-97-0
dtxsid: DTXSID00896445
formula: C16H17F7O3S
inchikey: MGDNOIZUFPTLFP-UHFFFAOYSA-N
norman_susdat_id: NS00109060
smiles: CCCCS(=O)c1c(CC)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1/C16H17F7O3S/c1-3-5-8-27(26)12-9(4-2)10(13(24)25)6-7-11(12)14(17,15(18,19)20)16(21,22)23/h6-7H,3-5,8H2,1-2H3,(H,24,25)


name: 2-Ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(2-methylpropane-1-sulfinyl)benzoic acid
cas: 1355554-99-2
dtxsid: DTXSID10896436
formula: C16H17F7O3S
inchikey: SSVYLSFHMOYLBO-UHFFFAOYSA-N
norman_susdat_id: NS00109422
smiles: CCc1c(ccc(c1S(=O)CC(C)C)C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1/C16H17F7O3S/c1-4-9-10(13(24)25)5-6-11(12(9)27(26)7-8(2)3)14(17,15(18,19)20)16(21,22)23/h5-6,8H,4,7H2,1-3H3,(H,24,25)


name: 3-(Butane-2-sulfinyl)-2-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzoic acid
cas: 1355555-01-9
dtxsid: DTXSID90896439
formula: C16H17F7O3S
inchikey: FIOBMHPGQOLBAX-UHFFFAOYSA-N
norman_susdat_id: NS00112173
smiles: CCC(C)S(=O)c1c(CC)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1/C16H17F7O3S/c1-4-8(3)27(26)12-9(5-2)10(13(24)25)6-7-11(12)14(17,15(18,19)20)16(21,22)23/h6-8H,4-5H2,1-3H3,(H,24,25)


name: 2-Ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(2-methylpropane-2-sulfinyl)benzoic acid
cas: 1355555-05-3
dtxsid: DTXSID50896430
formula: C16H17F7O3S
inchikey: RAEYMZSRWYHJQP-UHFFFAOYSA-N
norman_susdat_id: NS00110793
smiles: CCc1c(ccc(c1S(=O)C(C)(C)C)C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1/C16H17F7O3S/c1-5-8-9(12(24)25)6-7-10(11(8)27(26)13(2,3)4)14(17,15(18,19)20)16(21,22)23/h6-7H,5H2,1-4H3,(H,24,25)


name: 2-Ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(methanesulfonyl)benzoic acid
cas: 1355555-09-7
dtxsid: DTXSID20896422
formula: C13H11F7O4S
inchikey: GQADKNZFMBVXHH-UHFFFAOYSA-N
norman_susdat_id: NS00109764
smiles: CCc1c(ccc(c1S(C)(=O)=O)C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C13H11F7O4S/c1-3-6-7(10(21)22)4-5-8(9(6)25(2,23)24)11(14,12(15,16)17)13(18,19)20/h4-5H,3H2,1-2H3,(H,21,22)


name: 3-(Ethanesulfonyl)-2-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzoic acid
cas: 1355555-11-1
dtxsid: DTXSID80896428
formula: C14H13F7O4S
inchikey: ILBDMKGZYGQOLP-UHFFFAOYSA-N
norman_susdat_id: NS00111820
smiles: CCc1c(ccc(c1S(=O)(=O)CC)C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C14H13F7O4S/c1-3-7-8(11(22)23)5-6-9(10(7)26(24,25)4-2)12(15,13(16,17)18)14(19,20)21/h5-6H,3-4H2,1-2H3,(H,22,23)


name: 2-Ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(propane-1-sulfonyl)benzoic acid
cas: 1355555-13-3
dtxsid: DTXSID20896442
formula: C15H15F7O4S
inchikey: NRFZIUTWAUXCMQ-UHFFFAOYSA-N
norman_susdat_id: NS00109766
smiles: CCCS(=O)(=O)c1c(CC)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C15H15F7O4S/c1-3-7-27(25,26)11-8(4-2)9(12(23)24)5-6-10(11)13(16,14(17,18)19)15(20,21)22/h5-6H,3-4,7H2,1-2H3,(H,23,24)


name: 2-Ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(propane-2-sulfonyl)benzoic acid
cas: 1355555-15-5
dtxsid: DTXSID10896431
formula: C15H15F7O4S
inchikey: PXNMPRLSQFHPTD-UHFFFAOYSA-N
norman_susdat_id: NS00109421
smiles: CCc1c(ccc(c1S(=O)(=O)C(C)C)C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C15H15F7O4S/c1-4-8-9(12(23)24)5-6-10(11(8)27(25,26)7(2)3)13(16,14(17,18)19)15(20,21)22/h5-7H,4H2,1-3H3,(H,23,24)


name: 3-(Butane-1-sulfonyl)-2-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzoic acid
cas: 1355555-19-9
dtxsid: DTXSID40896449
formula: C16H17F7O4S
inchikey: JODFZVVSUNPHKW-UHFFFAOYSA-N
norman_susdat_id: NS00110454
smiles: CCCCS(=O)(=O)c1c(CC)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C16H17F7O4S/c1-3-5-8-28(26,27)12-9(4-2)10(13(24)25)6-7-11(12)14(17,15(18,19)20)16(21,22)23/h6-7H,3-5,8H2,1-2H3,(H,24,25)


name: 2-Ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(2-methylpropane-1-sulfonyl)benzoic acid
cas: 1355555-21-3
dtxsid: DTXSID20896447
formula: C16H17F7O4S
inchikey: TTYMXZBACADDNW-UHFFFAOYSA-N
norman_susdat_id: NS00109767
smiles: CCc1c(ccc(c1S(=O)(=O)CC(C)C)C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C16H17F7O4S/c1-4-9-10(13(24)25)5-6-11(12(9)28(26,27)7-8(2)3)14(17,15(18,19)20)16(21,22)23/h5-6,8H,4,7H2,1-3H3,(H,24,25)


name: 3-(Butane-2-sulfonyl)-2-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)benzoic acid
cas: 1355555-25-7
dtxsid: DTXSID80896448
formula: C16H17F7O4S
inchikey: XZAVKYNSLWXFDI-UHFFFAOYSA-N
norman_susdat_id: NS00111822
smiles: CCC(C)S(=O)(=O)c1c(CC)c(ccc1C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1/C16H17F7O4S/c1-4-8(3)28(26,27)12-9(5-2)10(13(24)25)6-7-11(12)14(17,15(18,19)20)16(21,22)23/h6-8H,4-5H2,1-3H3,(H,24,25)


name: 2-Ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-(2-methylpropane-2-sulfonyl)benzoic acid
cas: 1355555-26-8
dtxsid: DTXSID80896443
formula: C16H17F7O4S
inchikey: JERIDHIJIGOGPJ-UHFFFAOYSA-N
norman_susdat_id: NS00111821
smiles: CCc1c(ccc(c1S(=O)(=O)C(C)(C)C)C(F)(C(F)(F)F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C16H17F7O4S/c1-5-8-9(12(24)25)6-7-10(11(8)28(26,27)13(2,3)4)14(17,15(18,19)20)16(21,22)23/h6-7H,5H2,1-4H3,(H,24,25)


cas: 1355646-97-7
inchikey: IBGMDKHTDOHIKB-UHFFFAOYSA-N
norman_susdat_id: NS00077331
name:
6-[3-tert-butyl-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-2-methoxyphenyl]-2-naphthyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

smiles:
FC(C(C(C(F)(F)F)(F)F)(F)F)(S(=O)(=O)OC1=CC2=CC=C(C=C2C=C1)C1=C(C(=CC(=C1)N1C(NC(C=C1)=O)=O)C(C)(C)C)OC)F


name: Sodium 2-(1-carboxylatoethoxy)-1-methyl-2-oxoethyl laurate
cas: 13557-75-0
chemspiderid: 8126669
dtxsid: DTXSID90891888
formula: C18H32O6
inchikey: AOHBGMDQHXJADT-UHFFFAOYSA-N
norman_susdat_id: NS00014066
pubchem_cid: 9951058
smiles: [Na+].CCCCCCCCCCCC(=O)OC(C)C(=O)OC(C)C([O-])=O
inchi:
InChI=1S/C18H32O6.Na/c1-4-5-6-7-8-9-10-11-12-13-16(19)23-15(3)18(22)24-14(2)17(20)21;/h14-15H,4-13H2,1-3H3,(H,20,21);/q;+1/p-1


name: 3,6-diamino-9-(2-carboxyphenyl)xanthylium chloride
cas: 13558-31-1
dtxsid: DTXSID10884515
formula: C20H15N2O3
inchikey: VDOWACIWFRCYML-UHFFFAOYSA-M
norman_susdat_id: NS00052097
pubchem_cid: NA
smiles: [Cl-].O=C(O)C=1C=CC=CC1C=2C=3C=CC(N)=CC3[O+]=C4C=C(N)C=CC42
inchi:
InChI=1/C20H14N2O3.ClH/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24;/h1-10H,21-22H2;1H


name: 1-(3,3,4,4,5,5,6,6,6-Nonafluoro-1-iodohexyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane
cas: 135587-13-2
dtxsid: DTXSID60895999
formula: C12H15F9INO3Si
inchikey: LZXRMBONGPXFCO-UHFFFAOYSA-N
norman_susdat_id: NS00111084
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(I)[Si]12OCCN(CCO1)CCO2
inchi:
InChI=1/C12H15F9INO3Si/c13-9(14,10(15,16)11(17,18)12(19,20)21)7-8(22)27-24-4-1-23(2-5-25-27)3-6-26-27/h8H,1-7H2


cas: 135587-15-4
dtxsid: DTXSID60896027
formula: C14H15F13INO3Si
inchikey: XBDVKTKILQXMOM-UHFFFAOYSA-N
norman_susdat_id: NS00111088
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(I)[Si]12OCCN(CCO1)CCO2
name:
1-(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-iodooctyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane

inchi:
InChI=1/C14H15F13INO3Si/c15-9(16,7-8(28)33-30-4-1-29(2-5-31-33)3-6-32-33)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h8H,1-7H2


cas: 135587-17-6
dtxsid: DTXSID40896045
formula: C16H15F17INO3Si
inchikey: AENHPCRNEPBZQL-UHFFFAOYSA-N
norman_susdat_id: NS00110414
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(I)[Si]12OCCN(CCO1)CCO2
name:
1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-1-iododecyl)-2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane

inchi:
InChI=1/C16H15F17INO3Si/c17-9(18,7-8(34)39-36-4-1-35(2-5-37-39)3-6-38-39)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h8H,1-7H2


cas: 135588-58-8
dtxsid: DTXSID50895549
formula: C30H20F42
inchikey: IMGWTCMULAUXKG-UHFFFAOYSA-N
norman_susdat_id: NS00110722
name:
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,29,29,30,30,30-Dotetracontafluorotriacontane

inchi:
InChI=1S/C30H20F42/c31-11(32,13(35,36)15(39,40)17(43,44)19(47,48)21(51,52)23(55,56)25(59,60)27(63,64)29(67,68)69)9-7-5-3-1-2-4-6-8-10-12(33,34)14(37,38)16(41,42)18(45,46)20(49,50)22(53,54)24(57,58)26(61,62)28(65,66)30(70,71)72/h1-10H2

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Mefenpyr-diethyl
cas: 135590-91-9
chemspiderid: 9112846
dtxsid: DTXSID6037564
formula: C16H18Cl2N2O4
inchikey: OPGCOAPTHCZZIW-UHFFFAOYSA-N
norman_susdat_id: NS00000557
pubchem_cid: 10937610
smiles: Clc1cc(Cl)c(cc1)N2/N=C(/C(=O)OCC)CC2(C(=O)OCC)C
inchi:
InChI=1S/C16H18Cl2N2O4/c1-4-23-14(21)12-9-16(3,15(22)24-5-2)20(19-12)13-7-6-10(17)8-11(13)18/h6-8H,4-5,9H2,1-3H3


name: 1-(2,4-Dichlorophenyl)-5-methyl-4,5-dihydro-1H-pyrazole-3,5-dicarboxylic acid
cas: 135591-00-3
chebiid: CHEBI:133764
chemspiderid: 3344523
dtxsid: DTXSID10869847
formula: C12H10Cl2N2O4
inchikey: XEJNEDVTJPXRSM-UHFFFAOYSA-N
norman_susdat_id: NS00006877
pubchem_cid: 4131668
smiles: CC1(CC(=NN1c1ccc(Cl)cc1Cl)C(O)=O)C(O)=O
inchi:
InChI=1S/C12H10Cl2N2O4/c1-12(11(19)20)5-8(10(17)18)15-16(12)9-3-2-6(13)4-7(9)14/h2-4H,5H2,1H3,(H,17,18)(H,19,20)


name: Cndac
cas: 135598-68-4
chebiid: CHEBI:145435
dtxsid: DTXSID30159474
formula: C10H12N4O4
inchikey: DCYBPMFXJCWXNB-JWIUVKOKSA-N
norman_susdat_id: NS00069241
pubchem_cid: 119184
smiles: N#C[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O
inchi:
InChI=1S/C10H12N4O4/c11-3-5-8(16)6(4-15)18-9(5)14-2-1-7(12)13-10(14)17/h1-2,5-6,8-9,15-16H,4H2,(H2,12,13,17)/t5-,6+,8-,9+/m0/s1


name: Methyllycaconitine
cas: 1356-60-1
chemspiderid: 4450894
dtxsid: DTXSID30333252
formula: C37H50N2O10
inchikey: XLTANAWLDBYGFU-UHFFFAOYSA-N
norman_susdat_id: NS00094684
pubchem_cid: 5288811
inchi:
InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3

smiles:
[H]C12CC3C([H])(C1OC)C(O)(CC2OC)C1(O)C(OC)C2([H])C33C(CCC2(COC(=O)C2=CC=CC=C2N2C(=O)CC(C)C2=O)CN(CC)C13[H])OC


name: Bis(hexachlorocyclopentadieno)cyclooctane
cas: 13560-89-9
chemspiderid: 24323
dtxsid: DTXSID7027750
formula: C18H12Cl12
inchikey: UGQQAJOWXNCOPY-UHFFFAOYSA-N
norman_susdat_id: NS00004487
pubchem_cid: 26111
smiles: ClC1=C(Cl)C2(Cl)C3CCC4C(CCC3C1(Cl)C2(Cl)Cl)C1(Cl)C(Cl)=C(Cl)C4(Cl)C1(Cl)Cl
inchi:
InChI=1S/C18H12Cl12/c19-9-10(20)15(25)7-3-4-8-6(2-1-5(7)13(9,23)17(15,27)28)14(24)11(21)12(22)16(8,26)18(14,29)30/h5-8H,1-4H2


cas: 13560-92-4
chemspiderid: 28549525
dtxsid: DTXSID30108225
formula: C17H8Cl12
inchikey: UMNZVNMWVZXNBM-UHFFFAOYSA-N
norman_susdat_id: NS00006579
pubchem_cid: 44152444
smiles: ClC1=C(Cl)C2(Cl)CC1(Cl)C1C3C4C(C(C21)C3(Cl)Cl)C1(Cl)C(Cl)=C(Cl)C4(Cl)C1(Cl)Cl
name:
1,4:5,8:9,10-Trimethanoanthracene, 1,2,3,4,5,6,7,8,12,12,13,13-dodecachloro-1,4,4a,5,8,8a,9,9a,10,10a-decahydro-

inchi:
InChI=1S/C17H8Cl12/c18-8-9(19)13(23)1-12(8,22)2-3(13)7-5-4(6(2)16(7,26)27)14(24)10(20)11(21)15(5,25)17(14,28)29/h2-7H,1H2


name: a-cyclohexyl-a-[2-(diethylamino)ethyl]benzyl alcohol hydrochloride
cas: 13562-21-5
dtxsid: DTXSID80929088
formula: C19H31NO
inchikey: IZTHVPMGJIGDKL-UHFFFAOYSA-N
norman_susdat_id: NS00053413
pubchem_cid: 114547
smiles: Cl.OC(C=1C=CC=CC1)(CCN(CC)CC)C2CCCCC2
inchi:
InChI=1/C19H31NO.ClH/c1-3-20(4-2)16-15-19(21,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5,7-8,11-12,18,21H,3-4,6,9-10,13-16H2,1-2H3;1H


name: Norgesterone
cas: 13563-60-5
chebiid: CHEBI:135271
chemspiderid: 59047
dtxsid: DTXSID60159482
formula: C20H28O2
inchikey: YPVUHOBTCWJYNQ-SLHNCBLASA-N
norman_susdat_id: NS00010331
pubchem_cid: 65606
smiles: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@]2(C=C)O)CCC4=C3CCC(=O)C4
inchi:
InChI=1S/C20H28O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h3,16-18,22H,1,4-12H2,2H3/t16-,17-,18+,19+,20+/m1/s1


name: Verussurinine
cas: 135636-53-2
chemspiderid: 101596431
formula: C32H51NO9
inchikey: KBTBHGPSEWACMW-TUXHAYILSA-N
norman_susdat_id: NS00094315
smiles:
CCC(C)C(=O)O[C@@H]1[C@H]2[C@@H](CN3C[C@H](CC[C@H]3C2(C)O)C)[C@@H]4C[C@@]56[C@H]([C@@]4([C@H]1O)O)[C@@H](C[C@H]7[C@@]5(CC[C@@H]([C@]7(O6)O)O)C)O


name: N-tert-butyloxycarbonyl-L-threonine, compound with dicyclohexylamine
cas: 13564-70-0
formula: C12H23N.C9H17NO5
inchikey: BBZZIJOSFVOUGF-LVDJIYQJSA-N
norman_susdat_id: NS00085804
smiles: CC(O)[C@H](NC(=O)OC(C)(C)C)C(=O)O.C1CCC(CC1)NC2CCCCC2
inchi:
InChI=1/C12H23N.C9H17NO5/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-5(11)6(7(12)13)10-8(14)15-9(2,3)4/h11-13H,1-10H2;5-6,11H,1-4H3,(H,10,14)(H,12,13)


name: Diammonium lanthanum pentanitrate
cas: 13566-21-7
formula: H3N.5/2HNO3.1/2La
inchi: InChI=1/La.5NO3.2H3N/c;5*2-1(3)4;;/h;;;;;;2*1H3/q+3;5*-1;;/p+2
inchikey: KFCCHBLLEVQUJO-UHFFFAOYSA-P
norman_susdat_id: NS00085676
smiles:
[NH4+].[NH4+].[La+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]


name: Thevetin C
cas: 1357089-32-7
chemspiderid: 101570752
formula: C42H66O19
inchikey: GRAPNMOWHGCRLX-PPVIYJMXSA-N
norman_susdat_id: NS00093830
pubchem_cid: 52085558
smiles:
C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@@]56[C@@]4(CC[C@@H]5[C@@]7(CC(=O)OC7)OC6)O)C)O)OC)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)O)O


name: URB937
cas: 1357160-72-5
chemspiderid: 26458662
formula: C20H22N2O4
inchikey: CMEQHOXCIGFZNJ-UHFFFAOYSA-N
norman_susdat_id: NS00017276
pubchem_cid: 53394762
smiles: C1CCC(CC1)NC(=O)OC2=CC(=C(C=C2)O)C3=CC(=CC=C3)C(=O)N
inchi:
InChI=1S/C20H22N2O4/c21-19(24)14-6-4-5-13(11-14)17-12-16(9-10-18(17)23)26-20(25)22-15-7-2-1-3-8-15/h4-6,9-12,15,23H,1-3,7-8H2,(H2,21,24)(H,22,25)


name: Palonosetron
cas: 135729-61-2
chemspiderid: 130656
dtxsid: DTXSID5048342
formula: C19H24N2O1
inchikey: CPZBLNMUGSZIPR-DOTOQJQBSA-N
norman_susdat_id: NS00005395
pubchem_cid: 148211
smiles: O=C1N(C[C@@H]2CCCc3cccc1c23)[C@@H]1CN2CCC1CC2
inchi:
InChI=1S/C19H24N2O/c22-19-16-6-2-4-14-3-1-5-15(18(14)16)11-21(19)17-12-20-9-7-13(17)8-10-20/h2,4,6,13,15,17H,1,3,5,7-12H2/t15-,17+/m0/s1


name: Calcium magnesium silicate(1:2:1)
cas: 13573-15-4
formula: Ca.1/2H6O7Si2.1/2Mg
inchikey: MTHGIPCZWLJNAA-UHFFFAOYSA-N
norman_susdat_id: NS00085395
smiles: [MgH2].[MgH2].[CaH2].[O-][Si](=O)[O-]
inchi:
InChI=1/Ca.2Mg.O3Si.6H/c;;;1-4(2)3;;;;;;/q3*+2;-2;;;;;;/rCaH2.2H2Mg.O3Si/c;;;1-4(2)3/h3*1H2;/q3*+2;-2


name: 5-benzyl N-[(1,1-dimethylethoxy)carbonyl]-L-glutamate
cas: 13574-13-5
dtxsid: DTXSID40883495
formula: C17H23NO6
inchikey: AJDUMMXHVCMISJ-ZDUSSCGKSA-M
norman_susdat_id: NS00052741
pubchem_cid: 6993442
smiles: O=C(OC(C)(C)C)NC(C(=O)[O-])CCC(=O)OCC=1C=CC=CC1
inchi:
InChI=1/C17H23NO6/c1-17(2,3)24-16(22)18-13(15(20)21)9-10-14(19)23-11-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,20,21)/p-1


name: Carbamic acid, diethyldithio-, diester with 1,3-bis(mercaptomethyl)urea
cas: 13575-60-5
chemspiderid: 75421
dtxsid: DTXSID2065545
formula: C13H26N4O1S4
inchikey: SKCIXVXNJSASNY-UHFFFAOYSA-N
norman_susdat_id: NS00024399
pubchem_cid: 83591
smiles: CCN(CC)C(=S)SCNC(=O)NCSC(=S)N(CC)CC
inchi:
InChI=1S/C13H26N4OS4/c1-5-16(6-2)12(19)21-9-14-11(18)15-10-22-13(20)17(7-3)8-4/h5-10H2,1-4H3,(H2,14,15,18)


name: 4,5,6,7-tetrahydro-2-imino-a-(p-mesylphenyl)benzothiazoline-3-ethanol
cas: 13581-52-7
dtxsid: DTXSID00883496
formula: C16H20N2O3S2
inchikey: JOBSHVWSLVXORP-UHFFFAOYSA-N
norman_susdat_id: NS00053772
pubchem_cid: 114548
smiles: O=S(=O)(C1=CC=C(C=C1)C(O)CN2C(=N)SC3=C2CCCC3)C
inchi:
InChI=1/C16H20N2O3S2/c1-23(20,21)12-8-6-11(7-9-12)14(19)10-18-13-4-2-3-5-15(13)22-16(18)17/h6-9,14,17,19H,2-5,10H2,1H3


name: NSC 615985
cas: 135812-04-3
dtxsid: DTXSID70159539
formula: C16H18ClNO4S
inchikey: FMQGUMRNTBJHEA-UHFFFAOYSA-N
norman_susdat_id: NS00068501
pubchem_cid: 1385
smiles: CC1=C(C(=O)Nc2ccc(Cl)c(C(=O)OC(C)C)c2)SCCO1
inchi:
InChI=1S/C16H18ClNO4S/c1-9(2)22-16(20)12-8-11(4-5-13(12)17)18-15(19)14-10(3)21-6-7-23-14/h4-5,8-9H,6-7H2,1-3H3,(H,18,19)


name: Stearic acid, cobalt salt
cas: 13586-84-0
formula: C18H36O2.xCo
inchikey: OPAGYJJCQOCJBW-UHFFFAOYSA-M
norman_susdat_id: NS00086125
smiles: [Co+2].CCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H36O2.Co/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+2/p-1


name: Cefcapene
cas: 135889-00-8
chebiid: CHEBI:131729
chemspiderid: 4940731
formula: C17H19N5O6S2
inchikey: HJJRIJDTIPFROI-NVKITGPLSA-N
norman_susdat_id: NS00011577
pubchem_cid: 6436055
smiles: CC/C=C(/c1csc(n1)N)C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O
inchi:
InChI=1S/C17H19N5O6S2/c1-2-3-8(9-6-30-16(18)20-9)12(23)21-10-13(24)22-11(15(25)26)7(4-28-17(19)27)5-29-14(10)22/h3,6,10,14H,2,4-5H2,1H3,(H2,18,20)(H2,19,27)(H,21,23)(H,25,26)/b8-3-/t10-,14-/m1/s1


name: Sb218078
cas: 135897-06-2
dtxsid: DTXSID10392024
formula: C24H15N3O3
inchikey: OTPNDVKVEAIXTI-IYBDPMFKSA-N
norman_susdat_id: NS00071574
pubchem_cid: 447446
smiles: O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1[C@H]1CC[C@@H]3O1
inchi:
InChI=1S/C24H15N3O3/c28-23-19-17-11-5-1-3-7-13(11)26-15-9-10-16(30-15)27-14-8-4-2-6-12(14)18(22(27)21(17)26)20(19)24(29)25-23/h1-8,15-16H,9-10H2,(H,25,28,29)/t15-,16+


name: Name confidential or not available_20148
cas: 135934-43-9
chemspiderid: NA
formula: C27H16N2O7S1
inchikey: QIASJYHBBFRSDC-UHFFFAOYSA-N
norman_susdat_id: NS00020148
pubchem_cid: 14833079
smiles: CN1C(=O)c2ccc3c4ccc5C(=O)N(CCS(=O)(=O)O)C(=O)c6ccc(c7ccc(C1=O)c2c37)c4c56
inchi:
InChI=1S/C27H16N2O7S/c1-28-24(30)16-6-2-12-14-4-8-18-23-19(27(33)29(26(18)32)10-11-37(34,35)36)9-5-15(21(14)23)13-3-7-17(25(28)31)22(16)20(12)13/h2-9H,10-11H2,1H3,(H,34,35,36)


cas: 135937-20-1
chemspiderid: NA
dtxsid: DTXSID60595806
formula: C40H48N2O9S2
inchikey: ADEHPEDTWPPVHI-UHFFFAOYSA-N
norman_susdat_id: NS00002745
pubchem_cid: 18716640
name:
2-[4-(4-Hydroxybenzene-1-sulfonyl)phenoxy]-N-{5-[(methanesulfonyl)amino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]phenyl}-4,4-dimethyl-3-oxopentanamide

inchi:
InChI=1S/C40H48N2O9S2/c1-38(2,3)25-40(7,8)26-10-15-29(16-11-26)50-34-23-12-27(42-52(9,46)47)24-33(34)41-37(45)35(36(44)39(4,5)6)51-30-17-21-32(22-18-30)53(48,49)31-19-13-28(43)14-20-31/h10-24,35,42-43H,25H2,1-9H3,(H,41,45)

smiles:
CC(C)(C)CC(C)(C)c1ccc(Oc2ccc(NS(C)(=O)=O)cc2NC(=O)C(Oc2ccc(cc2)S(=O)(=O)c2ccc(O)cc2)C(=O)C(C)(C)C)cc1


name: Phenol, 4,4'-[1,3-phenylenebis(1-methylethylidene)]bis-
cas: 13595-25-0
chemspiderid: 2540817
dtxsid: DTXSID7065548
formula: C24H26O2
inchikey: PVFQHGDIOXNKIC-UHFFFAOYSA-N
norman_susdat_id: NS00006040
pubchem_cid: 3292100
smiles: CC(C)(c1ccc(O)cc1)c1cccc(c1)C(C)(C)c1ccc(O)cc1
inchi:
InChI=1S/C24H26O2/c1-23(2,17-8-12-21(25)13-9-17)19-6-5-7-20(16-19)24(3,4)18-10-14-22(26)15-11-18/h5-16,25-26H,1-4H3


name: 8:2 Fluorotelomer aldehyde
cas: 135984-68-8
chemspiderid: 8271401
formula: C10H3F17O1
inchikey: KDGIOTBLYAPNRR-UHFFFAOYSA-N
norman_susdat_id: NS00011077
pubchem_cid: 10095866
smiles: FC(F)(C(F)(F)CC=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10H3F17O/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h2H,1H2


name: Triflusulfuron
cas: 135990-29-3
chebiid: CHEBI:142847
chemspiderid: 77932
dtxsid: DTXSID10159614
formula: C16H17F3N6O6S1
inchikey: AKTQJCBOGPBERP-UHFFFAOYSA-N
norman_susdat_id: NS00001864
pubchem_cid: 86416
smiles: CN(C)c1nc(NC(=O)NS(=O)(=O)c2c(C)cccc2C(O)=O)nc(OCC(F)(F)F)n1
inchi:
InChI=1S/C16H17F3N6O6S/c1-8-5-4-6-9(11(26)27)10(8)32(29,30)24-14(28)21-12-20-13(25(2)3)23-15(22-12)31-7-16(17,18)19/h4-6H,7H2,1-3H3,(H,26,27)(H2,20,21,22,23,24,28)


name: Mci 225
cas: 135991-48-9
dtxsid: DTXSID70159615
formula: C17H17FN4S
inchikey: FVIVKIGLBDRWNR-UHFFFAOYSA-N
norman_susdat_id: NS00068110
pubchem_cid: 131927
smiles: Cc1cc2c(-c3ccccc3F)nc(N3CCNCC3)nc2s1
inchi:
InChI=1S/C17H17FN4S/c1-11-10-13-15(12-4-2-3-5-14(12)18)20-17(21-16(13)23-11)22-8-6-19-7-9-22/h2-5,10,19H,6-9H2,1H3


name: Tetracaine hydrochloride
cas: 136-47-0
chebiid: CHEBI:9469
formula: C15H24N2O2.ClH
inchikey: PPWHTZKZQNXVAE-UHFFFAOYSA-N
norman_susdat_id: NS00079216
smiles: Cl.CCCCNc1ccc(cc1)C(=O)OCCN(C)C
inchi:
InChI=1/C15H24N2O2.ClH/c1-4-5-10-16-14-8-6-13(7-9-14)15(18)19-12-11-17(2)3;/h6-9,16H,4-5,10-12H2,1-3H3;1H


name: Bucarpolate
cas: 136-63-0
chemspiderid: 60625
dtxsid: DTXSID6041686
formula: C16H22O6
inchikey: ZYVTYOMVFLAPLX-UHFFFAOYSA-N
norman_susdat_id: NS00010485
pubchem_cid: 67293
smiles: CCCCOCCOCCOC(=O)c1ccc2c(c1)OCO2
inchi:
InChI=1S/C16H22O6/c1-2-3-6-18-7-8-19-9-10-20-16(17)13-4-5-14-15(11-13)22-12-21-14/h4-5,11H,2-3,6-10,12H2,1H3


name: Protokylol hydrochloride
cas: 136-69-6
formula: C18H21NO5.ClH
inchikey: LOVXREQUMZKFCM-UHFFFAOYSA-N
norman_susdat_id: NS00079652
smiles: Cl.CC(Cc1ccc2OCOc2c1)NCC(O)c3ccc(O)c(O)c3
inchi:
InChI=1/C18H21NO5.ClH/c1-11(6-12-2-5-17-18(7-12)24-10-23-17)19-9-16(22)13-3-4-14(20)15(21)8-13;/h2-5,7-8,11,16,19-22H,6,9-10H2,1H3;1H


name: protokylol
cas: 136-70-9
chebiid: CHEBI:135413
chemspiderid: 4798
formula: C18H21N1O5
inchikey: LUMAEVHDZXIGEP-UHFFFAOYSA-N
norman_susdat_id: NS00007265
pubchem_cid: 4969
smiles: CC(Cc1ccc2OCOc2c1)NCC(O)c1ccc(O)c(O)c1
inchi:
InChI=1S/C18H21NO5/c1-11(6-12-2-5-17-18(7-12)24-10-23-17)19-9-16(22)13-3-4-14(20)15(21)8-13/h2-5,7-8,11,16,19-22H,6,9-10H2,1H3


name: Piperocaine
cas: 136-82-3
chebiid: CHEBI:34925
chemspiderid: 10326
dtxsid: DTXSID8048315
formula: C16H23N1O2
inchikey: YQKAVWCGQQXBGW-UHFFFAOYSA-N
norman_susdat_id: NS00007711
pubchem_cid: 10782
smiles: CC1CCCCN1CCCOC(=O)c1ccccc1
inchi:
InChI=1S/C16H23NO2/c1-14-8-5-6-11-17(14)12-7-13-19-16(18)15-9-3-2-4-10-15/h2-4,9-10,14H,5-8,11-13H2,1H3


name: 6-[2-(diethylamino)ethoxy]-N,N-dimethylbenzothiazol-2-amine dihydrochloride
cas: 136-96-9
chebiid: CHEBI:31474
formula: C15H23N3OS.2ClH
inchikey: FZNXAQMQVKBXDR-UHFFFAOYSA-N
norman_susdat_id: NS00079391
smiles: Cl.Cl.CCN(CC)CCOc1ccc2nc(sc2c1)N(C)C
inchi:
InChI=1/C15H23N3OS.2ClH/c1-5-18(6-2)9-10-19-12-7-8-13-14(11-12)20-15(16-13)17(3)4;;/h7-8,11H,5-6,9-10H2,1-4H3;2*1H


cas: 13601-88-2
dtxsid: DTXSID70880715
formula: C20H28O
inchikey: YCLCHPWRGSDZKL-UHFFFAOYSA-N
norman_susdat_id: NS00095931
smiles: CC(C)c1ccc2c(CCC3C(C)(CCCC23C)C=O)c1
name:
1-phenanthrenecarboxaldehyde, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1r-(1.alpha.,4a.beta.,10a.alpha.)]-

inchi:
InChI=1/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3


name: 2-Ethyl-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanal (2,4-dinitrophenyl)hydrazone
cas: 136022-83-8
dtxsid: DTXSID20897196
formula: C16H11F13N4O4
inchikey: YFSDHUFAFMHXNT-KSJARQFSSA-N
norman_susdat_id: NS00109809
smiles: CCC(C=NNC1=C(C=C(C=C1)[N+]([O-])=O)[N+]([O-])=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C16H11F13N4O4/c1-2-7(6-30-31-9-4-3-8(32(34)35)5-10(9)33(36)37)11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h3-7,31H,2H2,1H3/b30-6+


name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-2-methyldecanoic acid
cas: 136022-86-1
dtxsid: DTXSID20895637
formula: C11H5F17O2
inchikey: LYZCGZWGQVKVSU-UHFFFAOYSA-N
norman_susdat_id: NS00109700
smiles: CC(C(O)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C11H5F17O2/c1-2(3(29)30)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h2H,1H3,(H,29,30)


name: 2-Ethyl-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanoic acid
cas: 136022-87-2
dtxsid: DTXSID50895584
formula: C10H7F13O2
inchikey: AYYYDLPIWJFWNG-UHFFFAOYSA-N
norman_susdat_id: NS00110725
smiles: CCC(C(O)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C10H7F13O2/c1-2-3(4(24)25)5(11,12)6(13,14)7(15,16)8(17,18)9(19,20)10(21,22)23/h3H,2H2,1H3,(H,24,25)


name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-2-methyldecan-1-ol
cas: 136022-91-8
dtxsid: DTXSID70895480
formula: C11H7F17O
inchikey: VPNWMJAVJKPMOO-UHFFFAOYSA-N
norman_susdat_id: NS00111408
smiles: CC(CO)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C11H7F17O/c1-3(2-29)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h3,29H,2H2,1H3


cas: 1360463-21-3
dtxsid: DTXSID30882715
norman_susdat_id: NS00109956
name:
3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 2-methyl-2-propenoate polymer with oxiranylmethyl 2-methyl-2-propenoate, 2-hydroxyethyl 2-methyl-2-propenoate, octadecyl 2-propenoate and 1,1-dichloroethene


cas: 1360540-27-7
inchikey: WEUWFRDNDXSBGB-UHFFFAOYSA-L
norman_susdat_id: NS00078140
name:
potassium sodium hydrogen 7-[{2-acetamido-4-[(4-ammonio-5-sulfonato-1-naphthyl)diazenyl]-5-methoxyphenyl}diazenyl]naphthalene-1,3,6-trisulfonate

smiles:
C(C)(=O)NC1=C(C=C(C(=C1)N=NC1=CC=C(C2=C(C=CC=C12)S(=O)(=O)[O-])[NH3+])OC)N=NC1=C(C=C2C=C(C=C(C2=C1)S(=O)(=O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[K+]


name: Fidarestat
cas: 136087-85-9
dtxsid: DTXSID4046654
formula: C12H10FN3O4
inchikey: WAAPEIZFCHNLKK-UFBFGSQYSA-N
norman_susdat_id: NS00069198
pubchem_cid: 160024
smiles: NC(=O)[C@@H]1C[C@]2(NC(=O)NC2=O)c2cc(F)ccc2O1
inchi:
InChI=1S/C12H10FN3O4/c13-5-1-2-7-6(3-5)12(4-8(20-7)9(14)17)10(18)15-11(19)16-12/h1-3,8H,4H2,(H2,14,17)(H2,15,16,18,19)/t8-,12-/m0/s1


name: Hydrocortisone 17-butyrate
cas: 13609-67-1
chebiid: CHEBI:31674
chemspiderid: 24344
dtxsid: DTXSID4045896
formula: C25H36O6
inchikey: BMCQMVFGOVHVNG-TUFAYURCSA-N
norman_susdat_id: NS00015430
pubchem_cid: 26133
smiles: CCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)C(=O)CO
inchi:
InChI=1S/C25H36O6/c1-4-5-21(30)31-25(20(29)14-26)11-9-18-17-7-6-15-12-16(27)8-10-23(15,2)22(17)19(28)13-24(18,25)3/h12,17-19,22,26,28H,4-11,13-14H2,1-3H3/t17-,18-,19-,22+,23-,24-,25-/m0/s1


name: Taxine A
cas: 1361-49-5
chebiid: CHEBI:9417
chemspiderid: 5281829
formula: C35H47NO10
inchikey: KOTXAHKUCAQPQA-MCBQMXOVSA-N
norman_susdat_id: NS00093879
pubchem_cid: 4445136
smiles:
CC1=C2[C@H](C(=O)[C@]3(C/C(=C[C@@H]([C@@H](C2(C)C)C[C@@H]1OC(=O)C)OC(=O)C)/[C@H](C[C@@H]3O)OC(=O)[C@@H]([C@H](C4=CC=CC=C4)N(C)C)O)C)O


name: Taxine B
cas: 1361-50-8
chemspiderid: 8113891
dtxsid: DTXSID40276247
formula: C33H45NO8
inchikey: XMZFIBDTPOUHMW-UHFFFAOYSA-N
norman_susdat_id: NS00094709
pubchem_cid: 9938266
smiles: CN(C)C(CC(=O)OC1CCC2(C)C(C(O)C3(O)CC(=O)C(C)=C(C(OC(C)=O)C2O)C3(C)C)C1=C)C1=CC=CC=C1
inchi:
InChI=1S/C33H45NO8/c1-18-23(36)17-33(40)29(38)27-19(2)24(42-25(37)16-22(34(7)8)21-12-10-9-11-13-21)14-15-32(27,6)30(39)28(41-20(3)35)26(18)31(33,4)5/h9-13,22,24,27-30,38-40H,2,14-17H2,1,3-8H3


name: 4-((10-Methylphenothiazin-2-yl)thioacetyl)morpholine
cas: 13611-85-3
chemspiderid: 75440
dtxsid: DTXSID80159661
formula: C19H20N2O1S2
inchikey: XGNWSASAYPRWCT-UHFFFAOYSA-N
norman_susdat_id: NS00024409
pubchem_cid: 83614
smiles: CN1c2cc(CC(=S)N3CCOCC3)ccc2Sc2c1cccc2
inchi:
InChI=1S/C19H20N2OS2/c1-20-15-4-2-3-5-17(15)24-18-7-6-14(12-16(18)20)13-19(23)21-8-10-22-11-9-21/h2-7,12H,8-11,13H2,1H3


name: Furoylleucin
cas: 1361143-17-0
formula: C11H15NO4
inchikey: LXBURZIESWDWIV-QMMMGPOBSA-N
norman_susdat_id: NS00068255
pubchem_cid: 774282
smiles: CC(C)C[C@H](NC(=O)c1ccco1)C(=O)O
inchi:
InChI=1S/C11H15NO4/c1-7(2)6-8(11(14)15)12-10(13)9-4-3-5-16-9/h3-5,7-8H,6H2,1-2H3,(H,12,13)(H,14,15)/t8-/m0/s1


name: Ethyl 4,4-difluoro-5-[(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)oxy]pentanoate
cas: 1361253-41-9
dtxsid: DTXSID90896075
formula: C11H11F11O5S
inchikey: VWTZJHIQIGBHCX-UHFFFAOYSA-N
norman_susdat_id: NS00112137
smiles: CCOC(=O)CCC(F)(F)COS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H11F11O5S/c1-2-26-6(23)3-4-7(12,13)5-27-28(24,25)11(21,22)9(16,17)8(14,15)10(18,19)20/h2-5H2,1H3


name: 4-hydroxy-3-[(4-sulpho-1-naphthyl)azo]naphthalene-1-sulphonic acid
cas: 13613-55-3
formula: C20H14N2O7S2
inchikey: TVWOWDDBXAFQDG-UHFFFAOYSA-N
norman_susdat_id: NS00085799
smiles: OS(=O)(=O)c4ccc(N=Nc2cc(c1ccccc1c2O)S(O)(=O)=O)c3ccccc34
inchi:
InChI=1/C20H14N2O7S2/c23-20-15-8-4-3-7-14(15)19(31(27,28)29)11-17(20)22-21-16-9-10-18(30(24,25)26)13-6-2-1-5-12(13)16/h1-11,23H,(H,24,25,26)(H,27,28,29)


name: Dodecyl-2-aminohexanol-1-phosphoglycol
cas: 136134-09-3
dtxsid: DTXSID30159691
formula: C20H42NO6P
inchikey: SLLQAGCLXXPCKZ-LJQANCHMSA-N
norman_susdat_id: NS00071773
pubchem_cid: 131505
smiles: CCCCCCCCCCCC(=O)N[C@H](CCCC)CO[P@@](=O)(O)OCCO
inchi:
InChI=1S/C20H42NO6P/c1-3-5-7-8-9-10-11-12-13-15-20(23)21-19(14-6-4-2)18-27-28(24,25)26-17-16-22/h19,22H,3-18H2,1-2H3,(H,21,23)(H,24,25)/t19-/m1/s1


name: Minocycline hydrochloride
cas: 13614-98-7
chebiid: CHEBI:50697
dtxsid: DTXSID8044545
formula: C23H28ClN3O7
inchikey: GLMUAFMGXXHGLU-VQAITOIOSA-N
norman_susdat_id: NS00076430
smiles: Cl.CN(C)[C@H]1[C@@H]2C[C@@H]3CC4=C(C(O)=CC=C4N(C)C)C(=O)C3=C(O)[C@]2(O)C(=O)C(C(N)=O)=C1O
inchi:
InChI=1S/C23H27N3O7.ClH/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28;/h5-6,9,11,17,27,29-30,33H,7-8H2,1-4H3,(H2,24,32);1H/t9-,11-,17-,23-;/m0./s1


name: Arofylline
cas: 136145-07-8
chemspiderid: 145757
dtxsid: DTXSID30159696
formula: C14H13Cl1N4O2
inchikey: GVTLDPJNRVMCAL-UHFFFAOYSA-N
norman_susdat_id: NS00016656
pubchem_cid: 166553
smiles: CCCN1C(=O)C2=C(N=CN2)N(C1=O)C3=CC=C(C=C3)Cl
inchi:
InChI=1S/C14H13ClN4O2/c1-2-7-18-13(20)11-12(17-8-16-11)19(14(18)21)10-5-3-9(15)4-6-10/h3-6,8H,2,7H2,1H3,(H,16,17)


cas: 136152-82-4
formula: C20H36O12
inchikey: AWSYOWHJNGZJGU-OASARBKBSA-N
norman_susdat_id: NS00071288
pubchem_cid: 447970
smiles: CCCCCCCC(=O)OC[C@H]1O[C@@](CO)(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
name:
[3,4-dihydroxy-5-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxolan-2-yl]methyl octanoate

inchi:
InChI=1S/C20H36O12/c1-2-3-4-5-6-7-13(23)29-9-12-15(25)18(28)20(10-22,31-12)32-19-17(27)16(26)14(24)11(8-21)30-19/h11-12,14-19,21-22,24-28H,2-10H2,1H3/t11-,12-,14-,15-,16+,17-,18+,19-,20+/m1/s1


name: Aldoxorubicin
cas: 1361644-26-9
formula: C37H42N4O13
inchikey: OBMJQRLIQQTJLR-USGQOSEYSA-N
norman_susdat_id: NS00073019
pubchem_cid: 9810709
inchi:
InChI=1S/C37H42N4O13/c1-17-32(46)20(38)13-27(53-17)54-22-15-37(51,23(16-42)39-40-24(43)9-4-3-5-12-41-25(44)10-11-26(41)45)14-19-29(22)36(50)31-30(34(19)48)33(47)18-7-6-8-21(52-2)28(18)35(31)49/h6-8,10-11,17,20,22,27,32,42,46,48,50-51H,3-5,9,12-16,38H2,1-2H3,(H,40,43)/b39-23+/t17-,20-,22-,27-,32+,37-/m0/s1

smiles:
COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(/C(CO)=N/NC(=O)CCCCCN1C(=O)C=CC1=O)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1


name: Monoethanolamine oleate
cas: 136-18-5
formula: C18H34O2.C2H7NO
inchikey: KGWDUNBJIMUFAP-KVVVOXFISA-N
norman_susdat_id: NS00083164
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.NCCO
inchi:
InChI=1/C18H34O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h9-10H,2-8,11-17H2,1H3,(H,19,20);4H,1-3H2


name: Pyriminobac-methyl
cas: 136191-64-5
chemspiderid: 16738654
dtxsid: DTXSID5058307
formula: C17H19N3O6
inchikey: USSIUIGPBLPCDF-UHFFFAOYSA-N
norman_susdat_id: NS00021618
pubchem_cid: 20056438
smiles: CON=C(C)c1cccc(Oc2nc(OC)cc(OC)n2)c1C(=O)OC
inchi:
InChI=1S/C17H19N3O6/c1-10(20-25-5)11-7-6-8-12(15(11)16(21)24-4)26-17-18-13(22-2)9-14(19-17)23-3/h6-9H,1-5H3/b20-10+


name: Absinthin
cas: 1362-42-1
chebiid: CHEBI:2366
chemspiderid: 442138
formula: C30H40O6
inchikey: PZHWYURJZAPXAN-ILOFNVQHSA-N
norman_susdat_id: NS00093995
pubchem_cid: 10425847
smiles:
C[C@H]1[C@@H]2CC[C@]([C@@H]3[C@H]4[C@H]5C=C([C@@]6([C@H]4C(=C3[C@H]2OC1=O)C)[C@@H]5[C@@](CC[C@@H]7[C@@H]6OC(=O)[C@H]7C)(C)O)C)(C)O


name: Desmophen LS 2973
cas: 136210-30-5
chemspiderid: 9447890
dtxsid: DTXSID40869855
formula: C29H50N2O8
inchikey: VLJCQQPKCXJKKM-UHFFFAOYSA-N
norman_susdat_id: NS00002505
pubchem_cid: 11272882
smiles: CCOC(=O)CC(NC1CCC(CC2CCC(CC2)NC(CC(=O)OCC)C(=O)OCC)CC1)C(=O)OCC
inchi:
InChI=1S/C29H50N2O8/c1-5-36-26(32)18-24(28(34)38-7-3)30-22-13-9-20(10-14-22)17-21-11-15-23(16-12-21)31-25(29(35)39-8-4)19-27(33)37-6-2/h20-25,30-31H,5-19H2,1-4H3


name: Aspartic acid, N,N'-(methylenebis(2-methyl-4,1-cyclohexanediyl))bis-, 1,1',4,4'-tetraethyl ester
cas: 136210-32-7
chemspiderid: 77784
dtxsid: DTXSID00869856
formula: C31H54N2O8
inchikey: YHVVJCQIMRGPPE-UHFFFAOYSA-N
norman_susdat_id: NS00010123
pubchem_cid: 86237
smiles: CCOC(=O)CC(NC1CCC(CC2CCC(NC(CC(=O)OCC)C(=O)OCC)C(C)C2)CC1C)C(=O)OCC
inchi:
InChI=1S/C31H54N2O8/c1-7-38-28(34)18-26(30(36)40-9-3)32-24-13-11-22(15-20(24)5)17-23-12-14-25(21(6)16-23)33-27(31(37)41-10-4)19-29(35)39-8-2/h20-27,32-33H,7-19H2,1-6H3


name: 11-Nor-delta9-THC-9-carboxylic acid glucuronideÂ
cas: 1362113-32-3
chemspiderid: NA
formula: C27H36O10
inchikey: UWXZAZRSQQLWKH-LYPYQWGBSA-N
norman_susdat_id: NS00040959
pubchem_cid: NA
smiles: CCCCCc1cc(O)c2[C@@H]3C=C(CC[C@H]3C(C)(C)Oc2c1)C(=O)OC1OC(C(O)C(O)C1O)C(O)=O
inchi:
InChI=1S/C27H36O10/c1-4-5-6-7-13-10-17(28)19-15-12-14(8-9-16(15)27(2,3)37-18(19)11-13)25(34)36-26-22(31)20(29)21(30)23(35-26)24(32)33/h10-12,15-16,20-23,26,28-31H,4-9H2,1-3H3,(H,32,33)/t15-,16-,20?,21?,22?,23?,26?/m1/s1


cas: 136213-75-7
chemspiderid: NA
formula: C27H23Cl2N9O4S1
inchikey: UHDZDQJVHIAUHE-XAHDOWKMSA-N
norman_susdat_id: NS00006028
pubchem_cid: NA
smiles: CCN(c1ccccc1)c1nc(Cl)nc(Nc2ccc(c(c2)N=Nc2c(C)nn(c2O)-c2ccccc2Cl)S(O)(=O)=O)n1
name:
4-(4-chloro-6-(N-ethylanilino)-1,3,5-triazin-2-ylamino)-2-(1-(2-chlorophenyl)-5-hydroxy-3-methyl-1H-pyrazol-4-ylazo)benzenesulfonic acid

inchi:
InChI=1S/C27H23Cl2N9O4S/c1-3-37(18-9-5-4-6-10-18)27-32-25(29)31-26(33-27)30-17-13-14-22(43(40,41)42)20(15-17)34-35-23-16(2)36-38(24(23)39)21-12-8-7-11-19(21)28/h4-15,39H,3H2,1-2H3,(H,40,41,42)(H,30,31,32,33)/b35-34+


name: Dodecyltrimethylammonium methyl sulphate
cas: 13623-06-8
formula: C15H34N.CH3O4S
inchikey: ODGXMRVMAFAHQH-UHFFFAOYSA-M
norman_susdat_id: NS00085173
smiles: CCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-]
inchi:
InChI=1/C15H34N.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;1-5-6(2,3)4/h5-15H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


name: Diammonium gadolinium pentanitrate
cas: 13628-49-4
formula: Gd.2H3N.5HNO3
inchi: InChI=1/Gd.5NO3.2H3N/c;5*2-1(3)4;;/h;;;;;;2*1H3/q+3;5*-1;;/p+2
inchikey: ATINIWORWZUEEJ-UHFFFAOYSA-P
norman_susdat_id: NS00086271
smiles:
[NH4+].[NH4+].[Gd+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]


cas: 1362850-20-1
formula: C23H14ClF3N6O
inchikey: LNLJHGXOFYUARS-OAQYLSRUSA-N
norman_susdat_id: NS00073427
pubchem_cid: 56928390
smiles: [O-][n+]1cccc(-c2nc3c(Cl)cccc3cc2[C@@H](Nc2ncnc3cccnc23)C(F)(F)F)c1
name:
3-{8-chloro-3-[2,2,2-trifluoro-1-({pyrido[3,2-d]pyrimidin-4-yl}amino)ethyl]quinolin-2-yl}pyridin-1-ium-1-olate

inchi:
InChI=1S/C23H14ClF3N6O/c24-16-6-1-4-13-10-15(18(31-19(13)16)14-5-3-9-33(34)11-14)21(23(25,26)27)32-22-20-17(29-12-30-22)7-2-8-28-20/h1-12,21H,(H,29,30,32)/t21-/m1/s1


name: Trisodium 2-[(E)-(6-amino-1-hydroxy-3-sulfonato-2-naphthyl)diazenyl]benzene-1,4-disulfonate
cas: 1363332-65-3
inchikey: SMCSFAKGCJARLT-HRBIVCMLSA-K
norman_susdat_id: NS00078143
smiles:
NC=1C=C2C=C(C(=C(C2=CC1)O)/N=N/C1=C(C=CC(=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]


name: 4,5-Dihydro-2-phenyl-α-((perfluorohexyl)ethyloxy)methyl-1H-Imidazole-1-ethanol
cas: 1363391-48-3
dtxsid: DTXSID80897475
formula: C20H19F13N2O2
inchikey: RRBZUUUVOKHTLH-UHFFFAOYSA-N
norman_susdat_id: NS00111865
smiles: OC(COCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CN1CCN=C1C1=CC=CC=C1
inchi:
InChI=1/C20H19F13N2O2/c21-15(22,16(23,24)17(25,26)18(27,28)19(29,30)20(31,32)33)6-9-37-11-13(36)10-35-8-7-34-14(35)12-4-2-1-3-5-12/h1-5,13,36H,6-11H2


name: (3,3-diphenylpropyl)(1-phenylethyl)ammonium chloride
cas: 13636-18-5
formula: C23H25N.ClH
inchikey: NJXWZWXCHBNOOG-UHFFFAOYSA-N
norman_susdat_id: NS00085175
smiles: [Cl-].CC([NH2+]CCC(c1ccccc1)c2ccccc2)c3ccccc3
inchi:
InChI=1/C23H25N.ClH/c1-19(20-11-5-2-6-12-20)24-18-17-23(21-13-7-3-8-14-21)22-15-9-4-10-16-22;/h2-16,19,23-24H,17-18H2,1H3;1H


name: Lead diperchlorate
cas: 13637-76-8
formula: ClHO4.1/2Pb
inchikey: XOYUVEPYBYHIFZ-UHFFFAOYSA-L
norman_susdat_id: NS00085176
smiles: [Pb+2].O=Cl(=O)(=O)[O-].[O-]Cl(=O)(=O)=O
inchi:
InChI=1/2ClHO4.Pb.2H/c2*2-1(3,4)5;;;/h2*(H,2,3,4,5);;;/q;;+4;;/p-2/r2ClHO4.H2Pb/c2*2-1(3,4)5;/h2*(H,2,3,4,5);1H2/q;;+4/p-2


name: Fumonisin B3
cas: 136379-59-4
dtxsid: DTXSID20891856
formula: C34H59NO14
inchikey: CPCRJSQNWHCGOP-UHFFFAOYSA-N
norman_susdat_id: NS00067048
smiles: CCCCC(C)C(C(CC(C)CC(CCCCCCC(C(C)N)O)O)OC(=O)CC(CC(=O)O)C(=O)O)OC(=O)CC(CC(=O)O)C(=O)O
inchi:
InChI=1S/C34H59NO14/c1-5-6-11-21(3)32(49-31(43)19-24(34(46)47)17-29(40)41)27(48-30(42)18-23(33(44)45)16-28(38)39)15-20(2)14-25(36)12-9-7-8-10-13-26(37)22(4)35/h20-27,32,36-37H,5-19,35H2,1-4H3,(H,38,39)(H,40,41)(H,44,45)(H,46,47)


name: Fumonisin B4
cas: 136379-60-7
chebiid: CHEBI:133832
chemspiderid: 22913871
dtxsid: DTXSID40893271
formula: C34H59NO13
inchikey: WYYKRDVIBOEORL-JLCKPESSSA-N
norman_susdat_id: NS00094921
pubchem_cid: 42608359
inchi:
InChI=1S/C34H59NO13/c1-5-6-14-22(3)32(48-31(42)20-25(34(45)46)18-29(39)40)27(47-30(41)19-24(33(43)44)17-28(37)38)16-21(2)13-11-9-7-8-10-12-15-26(36)23(4)35/h21-27,32,36H,5-20,35H2,1-4H3,(H,37,38)(H,39,40)(H,43,44)(H,45,46)/t21-,22+,23-,24+,25+,26-,27-,32+/m0/s1

smiles:
CCCC[C@@H](C)[C@H]([C@H](C[C@@H](C)CCCCCCCC[C@@H]([C@H](C)N)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O)OC(=O)C[C@@H](CC(=O)O)C(=O)O


name: Lintitript
cas: 136381-85-6
chebiid: CHEBI:92624
dtxsid: DTXSID9046738
formula: C20H14ClN3O3S
inchikey: ILNRQFBVVQUOLP-UHFFFAOYSA-N
norman_susdat_id: NS00068299
pubchem_cid: 122077
smiles: O=C(O)Cn1c(C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc2ccccc21
inchi:
InChI=1S/C20H14ClN3O3S/c21-14-7-3-2-6-13(14)15-11-28-20(22-15)23-19(27)17-9-12-5-1-4-8-16(12)24(17)10-18(25)26/h1-9,11H,10H2,(H,25,26)(H,22,23,27)


name: 1-thio-ß-D-glucose pentaacetate
cas: 13639-50-4
dtxsid: DTXSID70929370
formula: C16H22O10S
inchikey: CFAJEDWNNGFOQV-LJIZCISZSA-N
norman_susdat_id: NS00052293
pubchem_cid: 112967
smiles: O=C(OCC1OC(SC(=O)C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C
inchi:
InChI=1/C16H22O10S/c1-7(17)22-6-12-13(23-8(2)18)14(24-9(3)19)15(25-10(4)20)16(26-12)27-11(5)21/h12-16H,6H2,1-5H3


name: 3-[Hydroxy(phenyl)methyl]-4-[(1-methyl-1H-imidazol-5-yl)methyl]tetrahydrofuran-2-one
cas: 13640-28-3
chemspiderid: 102604
formula: C16H18N2O3
inchikey: DZOVBAVEJYPSLL-UHFFFAOYSA-N
norman_susdat_id: NS00016148
pubchem_cid: 114553
smiles: CN1C=NC=C1CC2COC(=O)C2C(C3=CC=CC=C3)O
inchi:
InChI=1S/C16H18N2O3/c1-18-10-17-8-13(18)7-12-9-21-16(20)14(12)15(19)11-5-3-2-4-6-11/h2-6,8,10,12,14-15,19H,7,9H2,1H3


name: Fluquinconazole
cas: 136426-54-5
chebiid: CHEBI:83923
chemspiderid: 77933
dtxsid: DTXSID5057965
formula: C16H8Cl2F1N5O1
inchikey: IJJVMEJXYNJXOJ-UHFFFAOYSA-N
norman_susdat_id: NS00004084
pubchem_cid: 86417
smiles: Fc1ccc2nc(-n3cncn3)n(-c3ccc(Cl)cc3Cl)c(=O)c2c1
eea_notation: CAS_136426-54-5
inchi:
InChI=1S/C16H8Cl2FN5O/c17-9-1-4-14(12(18)5-9)24-15(25)11-6-10(19)2-3-13(11)22-16(24)23-8-20-7-21-23/h1-8H


name: 9,10-Anthracenedione, 1-amino-4,8-dihydroxy-5-(methylamino)-
cas: 13643-37-3
chemspiderid: 75457
dtxsid: DTXSID5065568
formula: C15H12N2O4
inchikey: NGNLGMGUWBMKHI-UHFFFAOYSA-N
norman_susdat_id: NS00024423
pubchem_cid: 83633
smiles: CNc1ccc(O)c2c1C(=O)c1c(c(N)ccc1O)C2=O
inchi:
InChI=1S/C15H12N2O4/c1-17-7-3-5-9(19)13-11(7)15(21)12-8(18)4-2-6(16)10(12)14(13)20/h2-5,17-19H,16H2,1H3


name: Duloxetine hydrochloride
cas: 136434-34-9
chebiid: CHEBI:31526
dtxsid: DTXSID9046443
formula: C18H20ClNOS
inchikey: BFFSMCNJSOPUAY-LMOVPXPDSA-N
norman_susdat_id: NS00076463
smiles: Cl.CNCC[C@H](OC1=C2C=CC=CC2=CC=C1)C1=CC=CS1
inchi:
InChI=1S/C18H19NOS.ClH/c1-19-12-11-17(18-10-5-13-21-18)20-16-9-4-7-14-6-2-3-8-15(14)16;/h2-10,13,17,19H,11-12H2,1H3;1H/t17-;/m0./s1


name: N-(3-Acetyl-2-hydroxyphenyl)-4-(4-phenylbutoxy)benzamide
cas: 136450-06-1
chemspiderid: 54823
dtxsid: DTXSID50275660
formula: C25H25N1O4
inchikey: NTUBQTVFDLDHRH-UHFFFAOYSA-N
norman_susdat_id: NS00007773
pubchem_cid: 60836
smiles: CC(=O)c1cccc(NC(=O)c2ccc(OCCCCc3ccccc3)cc2)c1O
inchi:
InChI=1S/C25H25NO4/c1-18(27)22-11-7-12-23(24(22)28)26-25(29)20-13-15-21(16-14-20)30-17-6-5-10-19-8-3-2-4-9-19/h2-4,7-9,11-16,28H,5-6,10,17H2,1H3,(H,26,29)


name: (3S,4aS,8aS)-N-tert-butyldecahydro-3-isoquinolinecarboxamide
cas: 136465-81-1
chemspiderid: 2900940
formula: C14H26N2O1
inchikey: UPZBXVBPICTBDP-UHFFFAOYSA-N
norman_susdat_id: NS00007097
pubchem_cid: 3667935
smiles: CC(C)(C)NC(=O)C1CC2CCCCC2CN1
inchi:
InChI=1S/C14H26N2O/c1-14(2,3)16-13(17)12-8-10-6-4-5-7-11(10)9-15-12/h10-12,15H,4-9H2,1-3H3,(H,16,17)


name: Trilostane
cas: 13647-35-3
chebiid: CHEBI:32260
chemspiderid: 24374
dtxsid: DTXSID9023706
formula: C20H27N1O3
inchikey: KVJXBPDAXMEYOA-CXANFOAXSA-N
norman_susdat_id: NS00018304
pubchem_cid: 656583
smiles: CC12CCC3C(C1CCC2O)CCC45C3(CC(=C(C4O5)O)C#N)C
inchi:
InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1


name: Banoxantrone
cas: 136470-65-0
dtxsid: DTXSID90869860
formula: C22H28N4O6
inchikey: YZBAXVICWUUHGG-UHFFFAOYSA-N
norman_susdat_id: NS00069174
pubchem_cid: 9955116
smiles: C[N+](C)([O-])CCNc1ccc(NCC[N+](C)(C)[O-])c2c1C(=O)c1c(O)ccc(O)c1C2=O
inchi:
InChI=1S/C22H28N4O6/c1-25(2,31)11-9-23-13-5-6-14(24-10-12-26(3,4)32)18-17(13)21(29)19-15(27)7-8-16(28)20(19)22(18)30/h5-8,23-24,27-28H,9-12H2,1-4H3


name: Abacavir
cas: 136470-78-5
chebiid: CHEBI:421707
chemspiderid: 390063
dtxsid: DTXSID4046444
formula: C14H18N6O1
inchikey: MCGSCOLBFJQGHM-SCZZXKLOSA-N
norman_susdat_id: NS00007385
pubchem_cid: 441300
smiles: Nc1nc(NC2CC2)c2ncn([C@@H]3C[C@H](CO)C=C3)c2n1
inchi:
InChI=1S/C14H18N6O/c15-14-18-12(17-9-2-3-9)11-13(19-14)20(7-16-11)10-4-1-8(5-10)6-21/h1,4,7-10,21H,2-3,5-6H2,(H3,15,17,18,19)/t8-,10+/m1/s1


name: XLR-11
cas: 1364933-54-9
chemspiderid: 28537382
dtxsid: DTXSID00159825
formula: C21H28F1N1O1
inchikey: PXLDPUUMIHVLEC-UHFFFAOYSA-N
norman_susdat_id: NS00017237
pubchem_cid: 57501498
smiles: CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CCCCCF)C
inchi:
InChI=1S/C21H28FNO/c1-20(2)19(21(20,3)4)18(24)16-14-23(13-9-5-8-12-22)17-11-7-6-10-15(16)17/h6-7,10-11,14,19H,5,8-9,12-13H2,1-4H3


name: THJ 018
cas: 1364933-55-0
chemspiderid: 29341702
formula: C23H22N2O1
inchikey: VAKGBPSFDNTMDJ-UHFFFAOYSA-N
norman_susdat_id: NS00017565
pubchem_cid: 124518671
smiles: O=C(C1=NN(CCCCC)C2=C1C=CC=C2)C3=C4C(C=CC=C4)=CC=C3
inchi:
InChI=1S/C23H22N2O/c1-2-3-8-16-25-21-15-7-6-13-20(21)22(24-25)23(26)19-14-9-11-17-10-4-5-12-18(17)19/h4-7,9-15H,2-3,8,16H2,1H3


name: JWH 412
cas: 1364933-59-4
chemspiderid: 28647803
formula: C24H22F1N1O1
inchikey: HDWMKVHXWFNFQW-UHFFFAOYSA-N
norman_susdat_id: NS00017687
pubchem_cid: 71454236
smiles: CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)F
inchi:
InChI=1S/C24H22FNO/c1-2-3-8-15-26-16-21(19-11-6-7-12-23(19)26)24(27)20-13-14-22(25)18-10-5-4-9-17(18)20/h4-7,9-14,16H,2-3,8,15H2,1H3


name: (4-Ethylnaphthalen-1-yl)[1-(5-fluoropentyl)-1H-indol-3-yl]methanone
cas: 1364933-60-7
chemspiderid: 29341514
dtxsid: DTXSID50745434
formula: C26H26F1N1O1
inchikey: NSCXPXDWLZORPX-UHFFFAOYSA-N
norman_susdat_id: NS00017562
pubchem_cid: 71308187
smiles: CCC1=CC=C(C2=CC=CC=C12)C(=O)C3=CN(C4=CC=CC=C43)CCCCCF
inchi:
InChI=1S/C26H26FNO/c1-2-19-14-15-23(21-11-5-4-10-20(19)21)26(29)24-18-28(17-9-3-8-16-27)25-13-7-6-12-22(24)25/h4-7,10-15,18H,2-3,8-9,16-17H2,1H3


name: 5-Fluoro JWH 018 adamantyl analog
cas: 1364933-62-9
chemspiderid: 29341569
formula: C24H30F1N1O1
inchikey: WBLLMFXPGHZFFP-UHFFFAOYSA-N
norman_susdat_id: NS00017408
pubchem_cid: 91885143
smiles: C1C2CC3CC1CC(C2)(C3)C(=O)C4=CN(C5=CC=CC=C54)CCCCCF
inchi:
InChI=1S/C24H30FNO/c25-8-4-1-5-9-26-16-21(20-6-2-3-7-22(20)26)23(27)24-13-17-10-18(14-24)12-19(11-17)15-24/h2-3,6-7,16-19H,1,4-5,8-15H2


name: Azidoindolene 1
cas: 1364933-69-6
chemspiderid: 34450866
formula: C21H28F1N3O2
inchikey: PRXCXNXDBMJFFC-KQWNVCNZSA-N
norman_susdat_id: NS00017277
pubchem_cid: 125280570
smiles: O=C1/C(C2=CC=CC=C2N1CCCCCF)=NNC(C3C(C)(C)C3(C)C)=O
inchi:
InChI=1S/C21H28FN3O2/c1-20(2)17(21(20,3)4)18(26)24-23-16-14-10-6-7-11-15(14)25(19(16)27)13-9-5-8-12-22/h6-7,10-11,17H,5,8-9,12-13H2,1-4H3,(H,24,26)/b23-16-


cas: 136522-17-3
chemspiderid: 8041495
dtxsid: DTXSID90628696
formula: C24H39N3O2
inchikey: YJRJYYPXNAHNMD-LILSUDLASA-N
norman_susdat_id: NS00006279
pubchem_cid: 9865804
smiles: CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@@H](N)Cc1ccccc1
name:
(3S,4aS,8aS)-2-[(3S)-3-Amino-2-hydroxy-4-phenylbutyl]-N-tert-butyldecahydroisoquinoline-3-carboxamide

inchi:
InChI=1S/C24H39N3O2/c1-24(2,3)26-23(29)21-14-18-11-7-8-12-19(18)15-27(21)16-22(28)20(25)13-17-9-5-4-6-10-17/h4-6,9-10,18-22,28H,7-8,11-16,25H2,1-3H3,(H,26,29)/t18-,19+,20-,21-,22+/m0/s1


cas: 1365267-27-1
formula: C25H25Cl2FN6O3
inchikey: ONPGOSVDVDPBCY-CQSZACIVSA-N
norman_susdat_id: NS00073124
pubchem_cid: 56960447
smiles: C[C@@H](Oc1cc(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)nnc1N)c1c(Cl)ccc(F)c1Cl
name:
6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-n-[4-(4-methylpiperazine-1-carbonyl)phenyl]pyridazine-3-carboxamide

inchi:
InChI=1S/C25H25Cl2FN6O3/c1-14(21-17(26)7-8-18(28)22(21)27)37-20-13-19(31-32-23(20)29)24(35)30-16-5-3-15(4-6-16)25(36)34-11-9-33(2)10-12-34/h3-8,13-14H,9-12H2,1-2H3,(H2,29,32)(H,30,35)/t14-/m1/s1


name: (Z)-N,N-diethyl-9-octadecenamide
cas: 13653-23-1
formula: C22H43NO
inchikey: ANBZTKMYPDMODS-YPKPFQOOSA-N
norman_susdat_id: NS00052206
pubchem_cid: 6197971
smiles: O=C(N(CC)CC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C22H43NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(24)23(5-2)6-3/h13-14H,4-12,15-21H2,1-3H3


name: Nickel(2+) palmitate
cas: 13654-40-5
formula: C16H32O2.1/2Ni
inchikey: LXHKZDOLHOQBTR-UHFFFAOYSA-L
norman_susdat_id: NS00093471
smiles: [Ni+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C16H32O2.Ni/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2


name: Aluminium tetrabromophthalate (3:2)
cas: 13654-74-5
formula: C8H2Br4O4.2/3Al
inchikey: GXSSJPSDGQDCLF-UHFFFAOYSA-J
norman_susdat_id: NS00085467
inchi:
InChI=1/2C8H2Br4O4.3Al.9H/c2*9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;;;;;;;;;;;;/h2*(H,13,14)(H,15,16);;;;;;;;;;;;/q;;3*+3;;;;;;;;;/p-4/r2C8H2Br4O4.3AlH3/c2*9-3-1(7(13)14)2(8(15)16)4(10)6(12)5(3)11;;;/h2*(H,13,14)(H,15,16);3*1H3/q;;3*+3/p-4

smiles:
[AlH3].[AlH3].[AlH3].[O-]C(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)[O-].[O-]C(=O)c2c(Br)c(Br)c(Br)c(Br)c2C(=O)[O-]


name: Alprenolol
cas: 13655-52-2
chebiid: CHEBI:51211
chemspiderid: 2035
dtxsid: DTXSID0045127
formula: C15H23N1O2
inchikey: PAZJSJFMUHDSTF-UHFFFAOYSA-N
norman_susdat_id: NS00008745
pubchem_cid: 2119
smiles: CC(C)NCC(O)COc1ccccc1CC=C
inchi:
InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3


cas: 136553-81-6
chebiid: CHEBI:2965
dtxsid: DTXSID70929476
formula: C31H42N6O7
inchikey: VYCMAAOURFJIHD-PJNXIOHISA-N
norman_susdat_id: NS00069585
pubchem_cid: 443289
name:
2-[9-(1h-indol-3-ylmethyl)-6-(2-methylpropyl)-1,4,7,10,13-pentaoxo-3-(propan-2-yl)-hexadecahydro-1h-pyrrolo[1,2-a]1,4,7,10,13-pentaazacyclopentadecan-12-yl]acetic acid

inchi:
InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23+,24-,26+/m0/s1

smiles:
CC(C)C[C@@H]1NC(=O)[C@@H](C(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O


name: 17-hydroxy-16ß-methyl-5ß-pregn-9(11)-ene-3,20-dione
cas: 13656-78-5
dtxsid: DTXSID30929477
formula: C22H32O3
inchikey: SYVXMCCIFBTGFR-RJZNOWKXSA-N
norman_susdat_id: NS00053525
pubchem_cid: 114664
smiles: O=C1CCC2(C3=CCC4(C)C(CC(C)C4(O)C(=O)C)C3CCC2C1)C
inchi:
InChI=1/C22H32O3/c1-13-11-19-17-6-5-15-12-16(24)7-9-20(15,3)18(17)8-10-21(19,4)22(13,25)14(2)23/h8,13,15,17,19,25H,5-7,9-12H2,1-4H3


name: 1-(3,3-diphenylpropyl)hexahydro-1H-azepinium chloride
cas: 13657-24-4
formula: C21H27N.ClH
inchikey: FQPKTVQUKHWXFF-UHFFFAOYSA-N
norman_susdat_id: NS00085476
smiles: [Cl-].C(C[NH+]1CCCCCC1)C(c2ccccc2)c3ccccc3
inchi:
InChI=1/C21H27N.ClH/c1-2-10-17-22(16-9-1)18-15-21(19-11-5-3-6-12-19)20-13-7-4-8-14-20;/h3-8,11-14,21H,1-2,9-10,15-18H2;1H


name: 3-{4-[2-(2-chloro-4-fluorophenyl)-1-(1h-indazol-5-yl)but-1-en-1-yl]phenyl}prop-2-enoic acid
cas: 1365888-06-7
formula: C26H20ClFN2O2
inchikey: BURHGPHDEVGCEZ-KJGLQBJMSA-N
norman_susdat_id: NS00073368
pubchem_cid: 56941241
smiles: CC/C(=C(/c1ccc(/C=C/C(=O)O)cc1)c1ccc2[nH]ncc2c1)c1ccc(F)cc1Cl
inchi:
InChI=1S/C26H20ClFN2O2/c1-2-21(22-10-9-20(28)14-23(22)27)26(18-8-11-24-19(13-18)15-29-30-24)17-6-3-16(4-7-17)5-12-25(31)32/h3-15H,2H2,1H3,(H,29,30)(H,31,32)/b12-5+,26-21+


name: Ibutilide
cas: 136591-58-7
dtxsid: DTXSID00159845
formula: C20H36N2O3S
inchikey: ALOBUEHUHMBRLE-FQEVSTJZSA-N
norman_susdat_id: NS00070420
pubchem_cid: 24848689
smiles: CCCCCCCN(CC)CCC[C@H](O)c1ccc(NS(C)(=O)=O)cc1
inchi:
InChI=1S/C20H36N2O3S/c1-4-6-7-8-9-16-22(5-2)17-10-11-20(23)18-12-14-19(15-13-18)21-26(3,24)25/h12-15,20-21,23H,4-11,16-17H2,1-3H3/t20-/m0/s1


name: JWH 387
cas: 1366067-59-5
chemspiderid: 28647837
formula: C24H22Br1N1O1
inchikey: GRWSWDKSCZKGSY-UHFFFAOYSA-N
norman_susdat_id: NS00017347
pubchem_cid: 71454233
smiles: CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)Br
inchi:
InChI=1S/C24H22BrNO/c1-2-3-8-15-26-16-21(19-11-6-7-12-23(19)26)24(27)20-13-14-22(25)18-10-5-4-9-17(18)20/h4-7,9-14,16H,2-3,8,15H2,1H3


name: JWH-424
cas: 1366068-04-3
chemspiderid: 28645324
dtxsid: DTXSID50159855
formula: C24H22Br1N1O1
inchikey: QXZYVJRMQVOOEQ-UHFFFAOYSA-N
norman_susdat_id: NS00017641
pubchem_cid: 57458937
smiles: CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=C3C(=CC=C4)Br
inchi:
InChI=1S/C24H22BrNO/c1-2-3-6-15-26-16-20(18-11-4-5-14-22(18)26)24(27)19-12-7-9-17-10-8-13-21(25)23(17)19/h4-5,7-14,16H,2-3,6,15H2,1H3


name: (4S)-4-Benzyl-2-(heptafluoropropyl)-4,5-dihydro-1,3-oxazole
cas: 1366341-52-7
dtxsid: DTXSID80896160
formula: C13H10F7NO
inchikey: QYFVACRNVSGUMV-VIFPVBQESA-N
norman_susdat_id: NS00111793
smiles: FC(F)(F)C(F)(F)C(F)(F)C1=N[C@@H](Cc2ccccc2)CO1
inchi:
InChI=1S/C13H10F7NO/c14-11(15,12(16,17)13(18,19)20)10-21-9(7-22-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2/t9-/m0/s1


name: 4-[(Diphenylmethoxy)methyl]piperidine
cas: 136647-21-7
chemspiderid: 2043137
dtxsid: DTXSID20376198
formula: C19H23N1O1
inchikey: BSSMSDMDCCVWTE-UHFFFAOYSA-N
norman_susdat_id: NS00006737
pubchem_cid: 2762420
smiles: C(OC(c1ccccc1)c1ccccc1)C1CCNCC1
inchi:
InChI=1S/C19H23NO/c1-3-7-17(8-4-1)19(18-9-5-2-6-10-18)21-15-16-11-13-20-14-12-16/h1-10,16,19-20H,11-15H2


name: Mopidamol
cas: 13665-88-8
chebiid: CHEBI:135682
chemspiderid: 24383
dtxsid: DTXSID30159878
formula: C19H31N7O4
inchikey: FOYWNSCCNCUEPU-UHFFFAOYSA-N
norman_susdat_id: NS00005622
pubchem_cid: 26172
smiles: OCCN(CCO)c1ncc2nc(nc(N3CCCCC3)c2n1)N(CCO)CCO
inchi:
InChI=1S/C19H31N7O4/c27-10-6-25(7-11-28)18-20-14-15-16(22-18)17(24-4-2-1-3-5-24)23-19(21-15)26(8-12-29)9-13-30/h14,27-30H,1-13H2


name: 2-Methyl-2-propylpropane-1,3-diyl dinicotinate
cas: 13671-63-1
chemspiderid: 75387
dtxsid: DTXSID90159894
formula: C19H22N2O4
inchikey: XVBCWIBXVAJLPL-UHFFFAOYSA-N
norman_susdat_id: NS00024432
pubchem_cid: 83644
smiles: CCCC(C)(COC(=O)c1cnccc1)COC(=O)c1cccnc1
inchi:
InChI=1S/C19H22N2O4/c1-3-8-19(2,13-24-17(22)15-6-4-9-20-11-15)14-25-18(23)16-7-5-10-21-12-16/h4-7,9-12H,3,8,13-14H2,1-2H3


name: N2-Benzyl pentachlorophenyl N2-carboxy-L-(2-aminoglutaramate)
cas: 13673-51-3
chemspiderid: 14788081
dtxsid: DTXSID00159906
formula: C19H15Cl5N2O5
inchikey: GUYCMAYBPDXYPY-JTQLQIEISA-N
norman_susdat_id: NS00024433
pubchem_cid: 117402
smiles: NC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
inchi:
InChI=1S/C19H15Cl5N2O5/c20-12-13(21)15(23)17(16(24)14(12)22)31-18(28)10(6-7-11(25)27)26-19(29)30-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,25,27)(H,26,29)/t10-/m0/s1


name: Perchlorophenyl N-(benzyloxycarbonyl)-L-isoleucinate
cas: 13673-53-5
chemspiderid: 21160164
dtxsid: DTXSID60159907
formula: C20H18Cl5N1O4
inchikey: PPNLLOVLDBYAFE-BTDLBPIBSA-N
norman_susdat_id: NS00024434
pubchem_cid: 114665
smiles: CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
inchi:
InChI=1S/C20H18Cl5NO4/c1-3-10(2)17(26-20(28)29-9-11-7-5-4-6-8-11)19(27)30-18-15(24)13(22)12(21)14(23)16(18)25/h4-8,10,17H,3,9H2,1-2H3,(H,26,28)/t10-,17-/m0/s1


name: Perchlorophenyl S-benzyl-N-(benzyloxycarbonyl)-L-cysteinate
cas: 13673-54-6
chemspiderid: 21160165
dtxsid: DTXSID20159908
formula: C24H18Cl5N1O4S1
inchikey: KHJLTTGEVZUKSI-INIZCTEOSA-N
norman_susdat_id: NS00024435
pubchem_cid: 114666
smiles: Clc1c(Cl)c(Cl)c(OC(=O)[C@H](CSCc2ccccc2)NC(=O)OCc2ccccc2)c(Cl)c1Cl
inchi:
InChI=1S/C24H18Cl5NO4S/c25-17-18(26)20(28)22(21(29)19(17)27)34-23(31)16(13-35-12-15-9-5-2-6-10-15)30-24(32)33-11-14-7-3-1-4-8-14/h1-10,16H,11-13H2,(H,30,32)/t16-/m0/s1


name: Bismaleimide
cas: 13676-54-5
chemspiderid: 75472
dtxsid: DTXSID8044381
formula: C21H14N2O4
inchikey: XQUPVDVFXZDTLT-UHFFFAOYSA-N
norman_susdat_id: NS00001722
pubchem_cid: 83648
smiles: O=C1C=CC(=O)N1c1ccc(Cc2ccc(cc2)N2C(=O)C=CC2=O)cc1
inchi:
InChI=1S/C21H14N2O4/c24-18-9-10-19(25)22(18)16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)23-20(26)11-12-21(23)27/h1-12H,13H2


name: Phenol, 4,4'-(1-methylethylidene)bis[2,6-bis(1,1-dimethylethyl)-
cas: 13676-82-9
chemspiderid: 75473
dtxsid: DTXSID4065575
formula: C31H48O2
inchikey: QHPKIUDQDCWRKO-UHFFFAOYSA-N
norman_susdat_id: NS00019377
pubchem_cid: 83649
smiles: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)C(C)(C)C1=CC(=C(O)C(=C1)C(C)(C)C)C(C)(C)C
inchi:
InChI=1S/C31H48O2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)31(13,14)20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3


name: 9,10-Anthracenedione, 1,8-bis(phenylthio)-
cas: 13676-91-0
chemspiderid: 75474
dtxsid: DTXSID9065576
formula: C26H16O2S2
inchikey: CNRPDCKHCGUKDK-UHFFFAOYSA-N
norman_susdat_id: NS00008493
pubchem_cid: 83650
smiles: O=C1c2cccc(Sc3ccccc3)c2C(=O)c2c(Sc3ccccc3)cccc12
inchi:
InChI=1S/C26H16O2S2/c27-25-19-13-7-15-21(29-17-9-3-1-4-10-17)23(19)26(28)24-20(25)14-8-16-22(24)30-18-11-5-2-6-12-18/h1-16H


name: 1,1,1,3,5,5,5-Heptamethyl-3-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)trisiloxane
cas: 136772-44-6
dtxsid: DTXSID00895599
formula: C15H25F13O2Si3
inchikey: KEJVZDCMLYTKNV-UHFFFAOYSA-N
norman_susdat_id: NS00108988
smiles: C[Si](C)(C)O[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)C
inchi:
InChI=1S/C15H25F13O2Si3/c1-31(2,3)29-33(7,30-32(4,5)6)9-8-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h8-9H2,1-7H3


name: Desmethyl tocotrienol
cas: 136774-61-3
chebiid: CHEBI:27017
formula: C26H38O2
inchikey: GJJVAFUKOBZPCB-HQLRYZJNSA-N
norman_susdat_id: NS00069204
pubchem_cid: 6857436
smiles: CC(C)=CCC/C(C)=C/CC/C(C)=C/CC[C@]1(C)CCc2cc(O)ccc2O1
inchi:
InChI=1S/C26H38O2/c1-20(2)9-6-10-21(3)11-7-12-22(4)13-8-17-26(5)18-16-23-19-24(27)14-15-25(23)28-26/h9,11,13-15,19,27H,6-8,10,12,16-18H2,1-5H3/b21-11+,22-13+/t26-/m1/s1


name: Lubiprostone
cas: 136790-76-6
dtxsid: DTXSID5048639
formula: C20H32F2O5
inchikey: WGFOBBZOWHGYQH-MXHNKVEKSA-N
norman_susdat_id: NS00069861
pubchem_cid: 157920
smiles: CCCCC(F)(F)[C@@]1(O)CC[C@H]2[C@@H](CC(=O)[C@@H]2CCCCCCC(=O)O)O1
inchi:
InChI=1S/C20H32F2O5/c1-2-3-11-19(21,22)20(26)12-10-15-14(16(23)13-17(15)27-20)8-6-4-5-7-9-18(24)25/h14-15,17,26H,2-13H2,1H3,(H,24,25)/t14-,15-,17-,20-/m1/s1


name: 4,4'-Methylenebis(2,6-diethylaniline)
cas: 13680-35-8
chemspiderid: 75480
dtxsid: DTXSID4048191
formula: C21H30N2
inchikey: NWIVYGKSHSJHEF-UHFFFAOYSA-N
norman_susdat_id: NS00019945
pubchem_cid: 83656
smiles: CCc1cc(Cc2cc(CC)c(N)c(CC)c2)cc(CC)c1N
inchi:
InChI=1S/C21H30N2/c1-5-16-10-14(11-17(6-2)20(16)22)9-15-12-18(7-3)21(23)19(8-4)13-15/h10-13H,5-9,22-23H2,1-4H3


name: Atevirdine
cas: 136816-75-6
dtxsid: DTXSID40159940
formula: C21H25N5O2
inchikey: UCPOMLWZWRTIAA-UHFFFAOYSA-N
norman_susdat_id: NS00068343
smiles: CCNc1cccnc1N1CCN(C(=O)c2cc3cc(OC)ccc3[nH]2)CC1
inchi:
InChI=1S/C21H25N5O2/c1-3-22-18-5-4-8-23-20(18)25-9-11-26(12-10-25)21(27)19-14-15-13-16(28-2)6-7-17(15)24-19/h4-8,13-14,22,24H,3,9-12H2,1-2H3


name: Delavirdine
cas: 136817-59-9
chebiid: CHEBI:119573
dtxsid: DTXSID6022892
formula: C22H28N6O3S
inchikey: WHBIGIKBNXZKFE-UHFFFAOYSA-N
norman_susdat_id: NS00071587
pubchem_cid: 5625
smiles: CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3cc(NS(C)(=O)=O)ccc3[nH]2)CC1
inchi:
InChI=1S/C22H28N6O3S/c1-15(2)24-19-5-4-8-23-21(19)27-9-11-28(12-10-27)22(29)20-14-16-13-17(26-32(3,30)31)6-7-18(16)25-20/h4-8,13-15,24-26H,9-12H2,1-3H3


name: Dihydroxyaluminium glycinate
cas: 13682-92-3
formula: C2H6AlNO4
inchikey: BWZOPYPOZJBVLQ-UHFFFAOYSA-K
norman_susdat_id: NS00085949
smiles: NCC(=O)[O-].O[Al+]O
inchi:
InChI=1/C2H5NO2.Al.2H2O/c3-1-2(4)5;;;/h1,3H2,(H,4,5);;2*1H2/q;+3;;/p-3/rC2H5NO2.AlH2O2/c3-1-2(4)5;2-1-3/h1,3H2,(H,4,5);2-3H/q;+1/p-1


name: Desmedipham
cas: 13684-56-5
chebiid: CHEBI:81733
chemspiderid: 23133
dtxsid: DTXSID0034518
formula: C16H16N2O4
inchikey: WZJZMXBKUWKXTQ-UHFFFAOYSA-N
norman_susdat_id: NS00000069
pubchem_cid: 24743
smiles: CCOC(=O)NC1=CC=CC(OC(=O)NC2=CC=CC=C2)=C1
eea_notation: CAS_13684-56-5
inchi:
InChI=1S/C16H16N2O4/c1-2-21-15(19)18-13-9-6-10-14(11-13)22-16(20)17-12-7-4-3-5-8-12/h3-11H,2H2,1H3,(H,17,20)(H,18,19)


name: Phenmedipham
cas: 13684-63-4
chebiid: CHEBI:81734
chemspiderid: 23134
dtxsid: DTXSID1024255
formula: C16H16N2O4
inchikey: IDOWTHOLJBTAFI-UHFFFAOYSA-N
norman_susdat_id: NS00001690
pubchem_cid: 24744
smiles: COC(=O)Nc1cccc(OC(=O)Nc2cccc(C)c2)c1
inchi:
InChI=1S/C16H16N2O4/c1-11-5-3-6-12(9-11)18-16(20)22-14-8-4-7-13(10-14)17-15(19)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)


name: Cyclosulfamuron
cas: 136849-15-5
chebiid: CHEBI:81747
chemspiderid: 4953619
dtxsid: DTXSID0057966
formula: C17H19N5O6S1
inchikey: OFSLKOLYLQSJPB-UHFFFAOYSA-N
norman_susdat_id: NS00015267
pubchem_cid: 6451137
smiles: COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)NC2=CC=CC=C2C(=O)C3CC3)OC
inchi:
InChI=1S/C17H19N5O6S/c1-27-13-9-14(28-2)19-16(18-13)20-17(24)22-29(25,26)21-12-6-4-3-5-11(12)15(23)10-7-8-10/h3-6,9-10,21H,7-8H2,1-2H3,(H2,18,19,20,22,24)


name: Cyclohexyldiphenylphosphine oxide
cas: 13689-20-8
dtxsid: DTXSID50160002
formula: C18H21OP
inchikey: ICVUZKQDJNUMKC-UHFFFAOYSA-N
norman_susdat_id: NS00052291
pubchem_cid: 83664
smiles: O=P(C=1C=CC=CC1)(C=2C=CC=CC2)C3CCCCC3
inchi:
InChI=1/C18H21OP/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2


name: 3-Hexyl-4-hydroxy-6-undecyl-5,6-dihydro-2H-pyran-2-one
cas: 136890-21-6
chemspiderid: 11466709
dtxsid: DTXSID00715743
formula: C22H40O3
inchikey: BLXCWAINNUGTQE-UHFFFAOYSA-N
norman_susdat_id: NS00004443
pubchem_cid: 54684708
smiles: CCCCCCCCCCCC1CC(O)=C(CCCCCC)C(=O)O1
inchi:
InChI=1S/C22H40O3/c1-3-5-7-9-10-11-12-13-14-16-19-18-21(23)20(22(24)25-19)17-15-8-6-4-2/h19,23H,3-18H2,1-2H3


name: N,N'-(9,9',10,10'-Tetraoxo[9,9',10,10'-tetrahydro-1,1'-bianthracene]-4,4'-diyl)didodecanamide
cas: 136897-58-0
chemspiderid: 28682263
dtxsid: DTXSID00721581
formula: C52H60N2O6
inchikey: ZKKKLLCZQLMYEQ-UHFFFAOYSA-N
norman_susdat_id: NS00009688
pubchem_cid: 57348154
smiles: CCCCCCCCCCCC(=O)Nc1ccc(-c2ccc(NC(=O)CCCCCCCCCCC)c3C(=O)c4ccccc4C(=O)c23)c2C(=O)c3ccccc3C(=O)c12
inchi:
InChI=1S/C52H60N2O6/c1-3-5-7-9-11-13-15-17-19-29-43(55)53-41-33-31-35(45-47(41)51(59)39-27-23-21-25-37(39)49(45)57)36-32-34-42(54-44(56)30-20-18-16-14-12-10-8-6-4-2)48-46(36)50(58)38-26-22-24-28-40(38)52(48)60/h21-28,31-34H,3-20,29-30H2,1-2H3,(H,53,55)(H,54,56)


name: (3Z)-4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Hexadecafluoroundec-3-en-2-one
cas: 136909-85-8
dtxsid: DTXSID80896701
formula: C11H4F16O
inchikey: FGWAKQKTCXBUER-RQOWECAXSA-N
norman_susdat_id: NS00111846
smiles: CC(=O)C=C(/F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H4F16O/c1-3(28)2-4(12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)27/h2H,1H3/b4-2-


name: Iobitridol
cas: 136949-58-1
chebiid: CHEBI:31701
chemspiderid: 59379
dtxsid: DTXSID90869865
formula: C20H28I3N3O9
inchikey: YLPBXIKWXNRACS-UHFFFAOYSA-N
norman_susdat_id: NS00000423
pubchem_cid: 65985
smiles: Ic1c(c(I)c(c(I)c1NC(=O)C(CO)CO)C(=O)N(CC(O)CO)C)C(=O)N(CC(O)CO)C
inchi:
InChI=1S/C20H28I3N3O9/c1-25(3-10(31)7-29)19(34)12-14(21)13(20(35)26(2)4-11(32)8-30)16(23)17(15(12)22)24-18(33)9(5-27)6-28/h9-11,27-32H,3-8H2,1-2H3,(H,24,33)


name: Disperse Red 1 acrylate
cas: 13695-46-0
chemspiderid: 4243389
dtxsid: DTXSID20407976
formula: C19H20N4O4
inchikey: MOUZYIAKMYUILJ-QZQOTICOSA-N
norman_susdat_id: NS00024444
pubchem_cid: NA
smiles: CCN(CCOC(=O)C=C)C1=CC=C(C=C1)N=NC1=CC=C(C=C1)[N+]([O-])=O
inchi:
InChI=1S/C19H20N4O4/c1-3-19(24)27-14-13-22(4-2)17-9-5-15(6-10-17)20-21-16-7-11-18(12-8-16)23(25)26/h3,5-12H,1,4,13-14H2,2H3/b21-20+


name: Delmadinone acetate
cas: 13698-49-2
chebiid: CHEBI:135645
chemspiderid: 8311278
dtxsid: DTXSID60160018
formula: C23H27Cl1O4
inchikey: CGBCCZZJVKUAMX-DFXBJWIESA-N
norman_susdat_id: NS00021003
pubchem_cid: 10135765
smiles: CC(=O)OC1(CCC2C3C=C(Cl)C4=CC(=O)C=CC4(C)C3CCC12C)C(=O)C
inchi:
InChI=1S/C23H27ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h5,8,11-12,16-18H,6-7,9-10H2,1-4H3/t16-,17+,18+,21-,22-,23+/m1/s1


name: Lead fumarate
cas: 13698-55-0
formula: C4H4O4.xPb
inchikey: DECKLSNUXCKNBM-TYYBGVCCSA-N
norman_susdat_id: NS00085565
smiles: [Pb].OC(=O)/C=C/C(O)=O
inchi:
InChI=1/C4H4O4.Pb.2H/c5-3(6)1-2-4(7)8;;;/h1-2H,(H,5,6)(H,7,8);;;/q;+4;;/rC4H4O4.H2Pb/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);1H2/q;+4


name: SODIUM METHYL OLEOYL TAURATE
cas: 137-20-2
chemspiderid: 5257160
formula: C21H41N1O4S1
inchikey: GXJQMKFJQFGQKV-KHPPLWFESA-N
norman_susdat_id: NS00014072
pubchem_cid: 6857837
smiles: [Na+].CCCCCCCCC=C/CCCCCCCC(=O)N(C)CC[S]([O-])(=O)=O
inchi:
InChI=1S/C21H41NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)22(2)19-20-27(24,25)26;/h10-11H,3-9,12-20H2,1-2H3,(H,24,25,26);/q;+1/p-1/b11-10-;


name: 2-Naphthalenecarboxamide, N-(5-chloro-2-methoxyphenyl)-3-hydroxy-
cas: 137-52-0
chemspiderid: 60637
dtxsid: DTXSID9059676
formula: C18H14Cl1N1O3
inchikey: WWXPGBMLOCYWLD-UHFFFAOYSA-N
norman_susdat_id: NS00020743
pubchem_cid: 67305
smiles: COc1ccc(Cl)cc1NC(=O)c1c(O)cc2ccccc2c1
inchi:
InChI=1S/C18H14ClNO3/c1-23-17-7-6-13(19)10-15(17)20-18(22)14-8-11-4-2-3-5-12(11)9-16(14)21/h2-10,21H,1H3,(H,20,22)


name: Dextrothyroxine sodium
cas: 137-53-1
formula: C15H11I4NO4.Na
inchikey: YDTFRJLNMPSCFM-UTONKHPSSA-M
norman_susdat_id: NS00079584
smiles: [Na+].N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(=O)[O-]
inchi:
InChI=1/C15H11I4NO4.Na/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23;/h1-2,4-5,12,21H,3,20H2,(H,22,23);/q;+1/p-1


name: Ascorbyl palmitate
cas: 137-66-6
chemspiderid: 10606454
dtxsid: DTXSID3041611
formula: C22H38O7
inchikey: QAQJMLQRFWZOBN-UHFFFAOYSA-N
norman_susdat_id: NS00005460
pubchem_cid: 54676825
smiles: CCCCCCCCCCCCCCCC(=O)OCC(O)C1OC(=O)C(O)=C1O
inchi:
InChI=1S/C22H38O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(24)28-16-17(23)21-19(25)20(26)22(27)29-21/h17,21,23,25-26H,2-16H2,1H3


name: Amprolium
cas: 137-88-2
chebiid: CHEBI:85266
chemspiderid: 2093
formula: C14H19N4
inchikey: IPZFPROOBOUEIG-UHFFFAOYSA-N
norman_susdat_id: NS00008141
pubchem_cid: 2178
smiles: CCCc1ncc(C[n+]2ccccc2C)c(N)n1
inchi:
InChI=1S/C14H19N4/c1-3-6-13-16-9-12(14(15)17-13)10-18-8-5-4-7-11(18)2/h4-5,7-9H,3,6,10H2,1-2H3,(H2,15,16,17)/q+1


name: Bis(2-ethylhexyl) isophthalate
cas: 137-89-3
chemspiderid: 8405
dtxsid: DTXSID7024619
formula: C24H38O4
inchikey: WXZOXVVKILCOPG-UHFFFAOYSA-N
norman_susdat_id: NS00015595
pubchem_cid: 8733
smiles: CCCCC(CC)COC(=O)C1=CC(=CC=C1)C(=O)OCC(CC)CCCC
inchi:
InChI=1S/C24H38O4/c1-5-9-12-19(7-3)17-27-23(25)21-14-11-15-22(16-21)24(26)28-18-20(8-4)13-10-6-2/h11,14-16,19-20H,5-10,12-13,17-18H2,1-4H3


name: Yttrium(3+) orthosilicate(3:4)
cas: 13701-72-9
formula: H4O4Si.4/3Y
inchi: InChI=1/4O4Si.3Y/c4*1-5(2,3)4;;;/q4*-4;3*+3
inchikey: YKOJAMHZRQOCSI-UHFFFAOYSA-N
norman_susdat_id: NS00085865
smiles:
[Y+3].[Y+3].[Y+3].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-].[O-][Si]([O-])([O-])[O-]


name: Bismuth triiodate
cas: 13702-39-1
formula: Bi.3HIO3
inchikey: IPALNRJDDHDHCA-UHFFFAOYSA-K
norman_susdat_id: NS00085567
smiles: [BiH3+3].[O-]I(=O)=O.[O-]I(=O)=O.[O-]I(=O)=O
inchi:
InChI=1/Bi.3HIO3.3H/c;3*2-1(3)4;;;/h;3*(H,2,3,4);;;/q+3;;;;;;/p-3/rBiH3.3HIO3/c;3*2-1(3)4/h1H3;3*(H,2,3,4)/q+3;;;/p-3


name: 3,3,4,4,5,5,6,6,6-Nonafluorohexyl 2,2-difluoro-3-hydroxy-4-methylpentanoate
cas: 1370345-78-0
dtxsid: DTXSID70895940
formula: C12H13F11O3
inchikey: BFMMVADDYVCWBU-UHFFFAOYSA-N
norman_susdat_id: NS00111439
smiles: CC(C)C(O)C(F)(F)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C12H13F11O3/c1-5(2)6(24)9(15,16)7(25)26-4-3-8(13,14)10(17,18)11(19,20)12(21,22)23/h5-6,24H,3-4H2,1-2H3


name: Elbasvir
cas: 1370468-36-2
chebiid: CHEBI:132967
formula: C49H55N9O7
inchikey: BVAZQCUMNICBAQ-PZHYSIFUSA-N
norman_susdat_id: NS00073466
pubchem_cid: 71661251
inchi:
InChI=1S/C49H55N9O7/c1-27(2)41(54-48(61)63-5)45(59)56-20-10-14-37(56)43-50-25-34(52-43)30-17-19-36-32(22-30)23-39-33-18-16-31(24-40(33)65-47(58(36)39)29-12-8-7-9-13-29)35-26-51-44(53-35)38-15-11-21-57(38)46(60)42(28(3)4)55-49(62)64-6/h7-9,12-13,16-19,22-28,37-38,41-42,47H,10-11,14-15,20-21H2,1-6H3,(H,50,52)(H,51,53)(H,54,61)(H,55,62)/t37-,38-,41-,42-,47-/m0/s1

smiles:
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc(-c2ccc3c(c2)O[C@@H](c2ccccc2)n2c-3cc3cc(-c4c[nH]c([C@@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)n4)ccc32)c[nH]1)C(C)C


name: Alprenolol hydrochloride
cas: 13707-88-5
chebiid: CHEBI:31191
formula: C15H23NO2.ClH
inchikey: RRCPAXJDDNWJBI-UHFFFAOYSA-N
norman_susdat_id: NS00085996
smiles: Cl.CC(C)NCC(O)COc1ccccc1CC=C
inchi:
InChI=1/C15H23NO2.ClH/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3;/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3;1H


name: Pimecrolimus
cas: 137071-32-0
chemspiderid: 24534139
dtxsid: DTXSID2046674
formula: C43H68Cl1N1O11
inchikey: KASDHRXLYQOAKZ-OLHLVPFQSA-N
norman_susdat_id: NS00002509
pubchem_cid: 6447131
inchi:
InChI=1S/C43H68ClNO11/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)45-16-12-11-13-32(45)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-31(44)35(22-29)52-7/h18,20,25,27-33,35-39,46,51H,10-17,19,21-23H2,1-9H3/b24-18-,26-20+/t25-,27+,28+,29-,30+,31-,32-,33-,35+,36-,37-,38+,39+,43+/m0/s1

smiles:
CC[C@@H]1C=C(C)/C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)C(C)=C[C@@H]1CC[C@H](Cl)[C@@H](C1)OC


name: N-(1-methyl-2-piperidinoethyl)-N-(2-pyridyl)propionamide fumarate
cas: 13717-04-9
formula: C16H25N3O.C4H4O4
inchikey: WQTLOZFMTGYQDX-WLHGVMLRSA-N
norman_susdat_id: NS00086639
smiles: CCC(=O)N(C(C)CN1CCCCC1)c2ccccn2.OC(=O)\C=C\C(=O)O
inchi:
InChI=1/C16H25N3O.C4H4O4/c1-3-16(20)19(15-9-5-6-10-17-15)14(2)13-18-11-7-4-8-12-18;5-3(6)1-2-4(7)8/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)


name: 6-O-a-D-glucopyranosyl-D-fructose
cas: 13718-94-0
dtxsid: DTXSID90929736
formula: C12H22O11
inchikey: RJPPRBMGVWEZRR-WTZPKTTFSA-N
norman_susdat_id: NS00051565
pubchem_cid: 83686
smiles: O=C(CO)C(O)C(O)C(O)COC1OC(CO)C(O)C(O)C1O
inchi:
InChI=1/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h5-14,16-21H,1-3H2


name: 2-Chloro-5-(hexadecan-2-yl)benzene-1,4-diol
cas: 137193-60-3
chemspiderid: NA
dtxsid: DTXSID50567294
formula: C22H37Cl1O2
inchikey: BCSYCAJWKGGPRY-UHFFFAOYSA-N
norman_susdat_id: NS00004170
pubchem_cid: 15034894
smiles: CCCCCCCCCCCCCCC(C)c1cc(O)c(Cl)cc1O
inchi:
InChI=1S/C22H37ClO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(2)19-16-22(25)20(23)17-21(19)24/h16-18,24-25H,3-15H2,1-2H3


name: Odiparcil
cas: 137215-12-4
dtxsid: DTXSID4057639
formula: C15H16O6S
inchikey: JRHNIQQUVJOPQC-AQNFWKISSA-N
norman_susdat_id: NS00071921
pubchem_cid: 216385
smiles: Cc1cc(=O)oc2cc(O[C@@H]3SC[C@@H](O)[C@H](O)[C@H]3O)ccc12
inchi:
InChI=1S/C15H16O6S/c1-7-4-12(17)21-11-5-8(2-3-9(7)11)20-15-14(19)13(18)10(16)6-22-15/h2-5,10,13-16,18-19H,6H2,1H3/t10-,13+,14-,15-/m1/s1


name: norcocaethylene
cas: 137220-02-1
chemspiderid: 19981290
formula: C17H21N1O4
inchikey: MABVIZVTLRQVOB-UHFFFAOYSA-N
norman_susdat_id: NS00009409
pubchem_cid: 21120676
smiles: CCOC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2
inchi:
InChI=1S/C17H21NO4/c1-2-21-17(20)15-13-9-8-12(18-13)10-14(15)22-16(19)11-6-4-3-5-7-11/h3-7,12-15,18H,2,8-10H2,1H3


name: Voriconazole
cas: 137234-62-9
chebiid: CHEBI:10023
chemspiderid: 64684
dtxsid: DTXSID5046485
formula: C16H14F3N5O1
inchikey: BCEHBSKCWLPMDN-MGPLVRAMSA-N
norman_susdat_id: NS00007182
pubchem_cid: 71616
smiles: C[C@@H](c1ncncc1F)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
inchi:
InChI=1S/C16H14F3N5O/c1-10(15-14(19)5-20-7-22-15)16(25,6-24-9-21-8-23-24)12-3-2-11(17)4-13(12)18/h2-5,7-10,25H,6H2,1H3/t10-,16+/m0/s1


name: rac-6-Chloro Voriconazole
cas: 137234-75-4
chemspiderid: NA
dtxsid: DTXSID50452818
formula: C16H13Cl1F3N5O1
inchikey: BQDLXFABVRRDFU-UHFFFAOYSA-N
norman_susdat_id: NS00040869
pubchem_cid: NA
smiles: CC(c1ncnc(Cl)c1F)C(O)(Cn1cncn1)c1ccc(F)cc1F
inchi:
InChI=1S/C16H13ClF3N5O/c1-9(14-13(20)15(17)23-7-22-14)16(26,5-25-8-21-6-24-25)11-3-2-10(18)4-12(11)19/h2-4,6-9,26H,5H2,1H3


name: Potassium 3-[(2-oxo-2H-1-benzopyran-7-yl)oxy]propanesulphonate
cas: 13725-45-6
dtxsid: DTXSID90929756
formula: C12H12O6S
inchikey: QLNVCQPHVBAEAG-UHFFFAOYSA-M
norman_susdat_id: NS00051177
pubchem_cid: NA
smiles: [K+].O=C1OC=2C=C(OCCCS(=O)(=O)[O-])C=CC2C=C1
inchi:
InChI=1/C12H12O6S.K/c13-12-5-3-9-2-4-10(8-11(9)18-12)17-6-1-7-19(14,15)16;/h2-5,8H,1,6-7H2,(H,14,15,16);/q;+1/p-1


name: HU-331
cas: 137252-25-6
chemspiderid: 9568213
formula: C21H28O3
inchikey: WDXXEUARVHTWQF-DLBZAZTESA-N
norman_susdat_id: NS00017376
pubchem_cid: 11393311
smiles: CCCCCC1=CC(=O)C(=C(C1=O)O)C2C=C(CCC2C(=C)C)C
inchi:
InChI=1S/C21H28O3/c1-5-6-7-8-15-12-18(22)19(21(24)20(15)23)17-11-14(4)9-10-16(17)13(2)3/h11-12,16-17,24H,2,5-10H2,1,3-4H3/t16-,17+/m0/s1


name: GSK-2636771
cas: 1372540-25-4
dtxsid: DTXSID10160124
formula: C22H22F3N3O3
inchikey: XTKLTGBKIDQGQL-UHFFFAOYSA-N
norman_susdat_id: NS00072984
pubchem_cid: 56949517
smiles: Cc1c(Cn2c(C)nc3c(C(=O)O)cc(N4CCOCC4)cc32)cccc1C(F)(F)F
inchi:
InChI=1S/C22H22F3N3O3/c1-13-15(4-3-5-18(13)22(23,24)25)12-28-14(2)26-20-17(21(29)30)10-16(11-19(20)28)27-6-8-31-9-7-27/h3-5,10-11H,6-9,12H2,1-2H3,(H,29,30)


name: Diethyl N-(4-aminobenzoyl)-L-glutamate
cas: 13726-52-8
chemspiderid: 65808
dtxsid: DTXSID70160125
formula: C16H22N2O5
inchikey: RJXFBLRRPYBPTM-ZDUSSCGKSA-N
norman_susdat_id: NS00024451
pubchem_cid: 73002
smiles: CCOC(=O)CCC(NC(=O)c1ccc(N)cc1)C(=O)OCC
inchi:
InChI=1S/C16H22N2O5/c1-3-22-14(19)10-9-13(16(21)23-4-2)18-15(20)11-5-7-12(17)8-6-11/h5-8,13H,3-4,9-10,17H2,1-2H3,(H,18,20)/t13-/m1/s1


name: N2-(tert-Butoxycarbonyl)-L-arginine
cas: 13726-76-6
chemspiderid: 102681
dtxsid: DTXSID30160126
formula: C11H22N4O4
inchikey: HSQIYOPBCOPMSS-ZETCQYMHSA-N
norman_susdat_id: NS00024452
pubchem_cid: 114667
smiles: CC(C)(C)OC(=O)N[C@@H](CCCN=C(N)N)C(=O)O
inchi:
InChI=1S/C11H22N4O4/c1-11(2,3)19-10(18)15-7(8(16)17)5-4-6-14-9(12)13/h7H,4-6H2,1-3H3,(H,15,18)(H,16,17)(H4,12,13,14)/t7-/m0/s1


name: N2-[(tert-butoxy)carbonyl]-L-glutamine
cas: 13726-85-7
dtxsid: DTXSID30884633
formula: C10H18N2O5
inchikey: VVNYDCGZZSTUBC-LURJTMIESA-N
norman_susdat_id: NS00051672
pubchem_cid: 83687
smiles: O=C(OC(C)(C)C)NC(C(=O)O)CCC(=O)N
inchi:
InChI=1/C10H18N2O5/c1-10(2,3)17-9(16)12-6(8(14)15)4-5-7(11)13/h6H,4-5H2,1-3H3,(H2,11,13)(H,12,16)(H,14,15)


name: Osemozotan
cas: 137275-81-1
dtxsid: DTXSID90160127
formula: C19H21NO5
inchikey: MEEQBDCQPIZMLY-HNNXBMFYSA-N
norman_susdat_id: NS00069218
pubchem_cid: 198747
smiles: c1ccc2c(c1)OC[C@H](CNCCCOc1ccc3c(c1)OCO3)O2
inchi:
InChI=1S/C19H21NO5/c1-2-5-18-16(4-1)22-12-15(25-18)11-20-8-3-9-21-14-6-7-17-19(10-14)24-13-23-17/h1-2,4-7,10,15,20H,3,8-9,11-13H2/t15-/m0/s1


name: Pemetrexed
cas: 137281-23-3
chebiid: CHEBI:93780
chemspiderid: 393879
dtxsid: DTXSID2048329
formula: C20H21N5O6
inchikey: WBXPDJSOTKVWSJ-UHFFFAOYSA-N
norman_susdat_id: NS00014353
pubchem_cid: 394493
smiles: NC1=NC(=O)c2c(CCc3ccc(cc3)C(=O)N[C@H](CCC(O)=O)C(O)=O)c[nH]c2N1
inchi:
InChI=1S/C20H21N5O6/c21-20-24-16-15(18(29)25-20)12(9-22-16)6-3-10-1-4-11(5-2-10)17(28)23-13(19(30)31)7-8-14(26)27/h1-2,4-5,9,13H,3,6-8H2,(H,23,28)(H,26,27)(H,30,31)(H4,21,22,24,25,29)/t13-/m1/s1


name: 4-[2-(2-Amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoic acid
cas: 137281-39-1
chemspiderid: 7972045
dtxsid: DTXSID80430861
formula: C15H14N4O3
inchikey: AIZPFZIKHIJCQX-UHFFFAOYSA-N
norman_susdat_id: NS00003636
pubchem_cid: 9796279
smiles: Nc1nc2[nH]cc(CCc3ccc(cc3)C(O)=O)c2c(=O)[nH]1
inchi:
InChI=1S/C15H14N4O3/c16-15-18-12-11(13(20)19-15)10(7-17-12)6-3-8-1-4-9(5-2-8)14(21)22/h1-2,4-5,7H,3,6H2,(H,21,22)(H4,16,17,18,19,20)


name: 2-(2-methoxyphenoxy)ethyl 4-toluenesulfonate
cas: 137309-88-7
chemspiderid: 4576346
formula: C16H18O5S1
inchikey: JJYACKVCWURYDT-UHFFFAOYSA-N
norman_susdat_id: NS00007223
pubchem_cid: 5463780
smiles: COc1ccccc1OCCOS(=O)(=O)c1ccc(C)cc1
inchi:
InChI=1S/C16H18O5S/c1-13-7-9-14(10-8-13)22(17,18)21-12-11-20-16-6-4-3-5-15(16)19-2/h3-10H,11-12H2,1-2H3


name: Monocarboxynonyl phthalate
cas: 1373125-93-9
chebiid: CHEBI:132573
dtxsid: DTXSID60873156
formula: C18H24O6
inchikey: RELGYNUSJXUKGN-UHFFFAOYSA-N
norman_susdat_id: NS00077086
smiles: CC(CCCCC(C)C(O)=O)COC(=O)C1=C(C=CC=C1)C(O)=O
inchi:
InChI=1/C18H24O6/c1-12(7-3-4-8-13(2)16(19)20)11-24-18(23)15-10-6-5-9-14(15)17(21)22/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3,(H,19,20)(H,21,22)


name: Butanamide, N,N'-1,3-phenylenebis[3-oxo-
cas: 13733-33-0
chemspiderid: 89088
dtxsid: DTXSID4065602
formula: C14H16N2O4
inchikey: MSAABPAPRGCKNY-UHFFFAOYSA-N
norman_susdat_id: NS00024455
pubchem_cid: 98645
smiles: CC(=O)CC(=O)Nc1cc(NC(=O)CC(=O)C)ccc1
inchi:
InChI=1S/C14H16N2O4/c1-9(17)6-13(19)15-11-4-3-5-12(8-11)16-14(20)7-10(2)18/h3-5,8H,6-7H2,1-2H3,(H,15,19)(H,16,20)


name: Tivirapine
cas: 137332-54-8
dtxsid: DTXSID00160138
formula: C16H20ClN3S
inchikey: ZNFFMCYSMBXZQU-NSHDSACASA-N
norman_susdat_id: NS00069983
smiles: CC(C)=CCN1Cc2c(Cl)ccc3[nH]c(=S)n(c23)C[C@@H]1C
inchi:
InChI=1S/C16H20ClN3S/c1-10(2)6-7-19-9-12-13(17)4-5-14-15(12)20(8-11(19)3)16(21)18-14/h4-6,11H,7-9H2,1-3H3,(H,18,21)/t11-/m0/s1


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorooctacosane
cas: 137338-39-7
chemspiderid: 28604883
dtxsid: DTXSID00881376
formula: C28H41F17
inchikey: ZHXXMSNJEJNVHG-UHFFFAOYSA-N
norman_susdat_id: NS00018764
pubchem_cid: 59745719
smiles: CCCCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C28H41F17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(29,30)22(31,32)23(33,34)24(35,36)25(37,38)26(39,40)27(41,42)28(43,44)45/h2-20H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorotriacontane
cas: 137338-40-0
chemspiderid: 32077106
dtxsid: DTXSID30881384
formula: C30H45F17
inchikey: HUBKJPDTNKYKGO-UHFFFAOYSA-N
norman_susdat_id: NS00018765
pubchem_cid: 99647691
smiles: CCCCCCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C30H45F17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(31,32)24(33,34)25(35,36)26(37,38)27(39,40)28(41,42)29(43,44)30(45,46)47/h2-22H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorodotriacontane
cas: 137338-41-1
chemspiderid: NA
dtxsid: DTXSID90881385
formula: C32H49F17
inchikey: MPOGCORGEBKYLP-UHFFFAOYSA-N
norman_susdat_id: NS00018766
pubchem_cid: NA
smiles: CCCCCCCCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C32H49F17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(33,34)26(35,36)27(37,38)28(39,40)29(41,42)30(43,44)31(45,46)32(47,48)49/h2-24H2,1H3


name: (Perfluorohexadecyl)hexadecane
cas: 137338-42-2
chemspiderid: NA
formula: C32H33F33
inchikey: WUEFAVOYPVTDCM-UHFFFAOYSA-N
norman_susdat_id: NS00011297
pubchem_cid: 101549662
inchi:
InChI=1S/C32H33F33/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(33,34)18(35,36)19(37,38)20(39,40)21(41,42)22(43,44)23(45,46)24(47,48)25(49,50)26(51,52)27(53,54)28(55,56)29(57,58)30(59,60)31(61,62)32(63,64)65/h2-16H2,1H3

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCCCCCC


name: N-(tert-butoxycarbonyl)-L-phenylalanine
cas: 13734-34-4
formula: C14H19NO4
inchikey: ZYJPUMXJBDHSIF-NSHDSACASA-N
norman_susdat_id: NS00093529
smiles: CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O
inchi:
InChI=1/C14H19NO4/c1-14(2,3)19-13(18)15-11(12(16)17)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)(H,16,17)


name: Dicyclohexyl sulfosuccinic acid
cas: 137361-04-7
chemspiderid: 82099
dtxsid: DTXSID3047213
formula: C16H26O7S1
inchikey: QPSVFNQMURAADJ-UHFFFAOYSA-N
norman_susdat_id: NS00007209
pubchem_cid: 90918
smiles: OS(=O)(=O)C(CC(=O)OC1CCCCC1)C(=O)OC1CCCCC1
inchi:
InChI=1S/C16H26O7S/c17-15(22-12-7-3-1-4-8-12)11-14(24(19,20)21)16(18)23-13-9-5-2-6-10-13/h12-14H,1-11H2,(H,19,20,21)


name: N-omega-propyl-l-arginine
cas: 137361-05-8
dtxsid: DTXSID30332245
formula: C9H20N4O2
inchikey: AOMXURITGZJPKB-ZETCQYMHSA-N
norman_susdat_id: NS00068628
pubchem_cid: 447180
smiles: CCCNC(=N)NCCC[C@H](N)C(=O)O
inchi:
InChI=1S/C9H20N4O2/c1-2-5-12-9(11)13-6-3-4-7(10)8(14)15/h7H,2-6,10H2,1H3,(H,14,15)(H3,11,12,13)/t7-/m0/s1


name: JWH 081-N-(cyclohexylmethyl) analog
cas: 1373876-34-6
chemspiderid: 29763715
formula: C27H27N1O2
inchikey: LMENRXZOUBANKQ-UHFFFAOYSA-N
norman_susdat_id: NS00017678
pubchem_cid: 118796420
smiles: COC1=CC=C(C2=CC=CC=C21)C(=O)C3=CN(C4=CC=CC=C43)CC5CCCCC5
inchi:
InChI=1S/C27H27NO2/c1-30-26-16-15-23(20-11-5-6-13-22(20)26)27(29)24-18-28(17-19-9-3-2-4-10-19)25-14-8-7-12-21(24)25/h5-8,11-16,18-19H,2-4,9-10,17H2,1H3


name: Diacerein
cas: 13739-02-1
chebiid: CHEBI:94708
chemspiderid: 24456
dtxsid: DTXSID4045636
formula: C19H12O8
inchikey: TYNLGDBUJLVSMA-UHFFFAOYSA-N
norman_susdat_id: NS00018043
pubchem_cid: 26248
smiles: CC(=O)OC1=CC=CC2=C1C(=O)C3=C(C=C(C=C3C2=O)C(=O)O)OC(=O)C
inchi:
InChI=1S/C19H12O8/c1-8(20)26-13-5-3-4-11-15(13)18(23)16-12(17(11)22)6-10(19(24)25)7-14(16)27-9(2)21/h3-7H,1-2H3,(H,24,25)


cas: 137433-01-3
inchikey: JWZHOIQKEORMDQ-UUYYBNIKSA-N
norman_susdat_id: NS00078147
smiles: C(CCCCC)[C@H](C(=O)O)[C@H](C[C@@H](CCCCCCCCCCC)OCC1=CC=CC=C1)O.C[C@H](N)C1=CC=CC=C1
name:
(2S,3S,5R)-2-Hexyl-3-hydroxy-5-(phenylmethoxy)-hexadecanoic acid compd. with (S)-alpha-methylbenzenemethanamine (1:1)


name: 6-Sulfanilamidoindazole
cas: 13744-68-8
chemspiderid: 75519
dtxsid: DTXSID50160183
formula: C13H12N4O2S1
inchikey: RLNLIVBLEZDLMZ-UHFFFAOYSA-N
norman_susdat_id: NS00024458
pubchem_cid: 83696
smiles: Nc1ccc(cc1)S(=O)(=O)Nc1cc2c(cn[nH]2)cc1
inchi:
InChI=1S/C13H12N4O2S/c14-10-2-5-12(6-3-10)20(18,19)17-11-4-1-9-8-15-16-13(9)7-11/h1-8,17H,14H2,(H,15,16)


cas: 1374418-39-9
dtxsid: DTXSID20897676
norman_susdat_id: NS00109831
name:
2-Propenoic acid, reaction products with acetic acid (γ-ω-perfluoro-C8-10-alkyl)thio derivs. Bu esters and polyethylenimine


name: 2-methoxy-4-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)phenol
cas: 13746-54-8
dtxsid: DTXSID70884637
formula: C17H24O2
inchikey: NUEKYQUPPRJHFP-UHFFFAOYSA-N
norman_susdat_id: NS00051583
pubchem_cid: 107033
smiles: OC1=CC=C(C=C1OC)C2CC3CC2C(C)C3(C)C
inchi:
InChI=1/C17H24O2/c1-10-13-8-12(17(10,2)3)9-14(13)11-5-6-15(18)16(7-11)19-4/h5-7,10,12-14,18H,8-9H2,1-4H3


name: (exo)-2-methoxy-4-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)phenol
cas: 13746-56-0
dtxsid: DTXSID30884638
formula: C17H24O2
inchikey: FDPFKODSGDDVCR-UHFFFAOYSA-N
norman_susdat_id: NS00051196
pubchem_cid: 117330
smiles: OC1=CC=C(C=C1OC)C2CC3CCC2(C)C3(C)C
inchi:
InChI=1/C17H24O2/c1-16(2)12-7-8-17(16,3)13(10-12)11-5-6-14(18)15(9-11)19-4/h5-6,9,12-13,18H,7-8,10H2,1-4H3


name: (exo,exo)-2-methoxy-5-(5,5,6-trimethylbicyclo[2.2.1]hept-2-yl)phenol
cas: 13746-57-1
dtxsid: DTXSID90884639
formula: C17H24O2
inchikey: HOWLDRFFEKSVNK-UHFFFAOYSA-N
norman_susdat_id: NS00051673
pubchem_cid: 21119679
smiles: OC1=CC(=CC=C1OC)C2CC3CC2C(C)C3(C)C
inchi:
InChI=1/C17H24O2/c1-10-13-8-12(17(10,2)3)9-14(13)11-5-6-16(19-4)15(18)7-11/h5-7,10,12-14,18H,8-9H2,1-4H3


name: 5-isobornyl-2-methoxyphenol
cas: 13746-58-2
dtxsid: DTXSID00884640
formula: C17H24O2
inchikey: GCUHVRDKQDPZGZ-UHFFFAOYSA-N
norman_susdat_id: NS00051624
pubchem_cid: 53462837
smiles: OC1=CC(=CC=C1OC)C2CC3CCC2(C)C3(C)C
inchi:
InChI=1/C17H24O2/c1-16(2)12-7-8-17(16,3)13(10-12)11-5-6-15(19-4)14(18)9-11/h5-6,9,12-13,18H,7-8,10H2,1-4H3


name: Exo-2-methoxy-6-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)phenol
cas: 13746-60-6
dtxsid: DTXSID60884641
formula: C17H24O2
inchikey: YPUMYHHWYPOEPH-UHFFFAOYSA-N
norman_susdat_id: NS00051721
pubchem_cid: 4835290
smiles: OC=1C(OC)=CC=CC1C2CC3CCC2(C)C3(C)C
inchi:
InChI=1/C17H24O2/c1-16(2)11-8-9-17(16,3)13(10-11)12-6-5-7-14(19-4)15(12)18/h5-7,11,13,18H,8-10H2,1-4H3


name: 2-methoxy-6-(5,5,6-trimethyl-2-norbornyl)phenol
cas: 13746-62-8
dtxsid: DTXSID20884642
formula: C17H24O2
inchikey: SLHRWDADMOLIBN-UHFFFAOYSA-N
norman_susdat_id: NS00051230
pubchem_cid: 117161
smiles: OC=1C(OC)=CC=CC1C2CC3CC2C(C)C3(C)C
inchi:
InChI=1/C17H24O2/c1-10-13-8-11(17(10,2)3)9-14(13)12-6-5-7-15(19-4)16(12)18/h5-7,10-11,13-14,18H,8-9H2,1-4H3


name: Co1686
cas: 1374640-70-6
formula: C27H28F3N7O3
inchikey: HUFOZJXAKZVRNJ-UHFFFAOYSA-N
norman_susdat_id: NS00073137
pubchem_cid: 57335384
smiles: C=CC(=O)Nc1cccc(Nc2nc(Nc3ccc(N4CCN(C(C)=O)CC4)cc3OC)ncc2C(F)(F)F)c1
inchi:
InChI=1S/C27H28F3N7O3/c1-4-24(39)32-18-6-5-7-19(14-18)33-25-21(27(28,29)30)16-31-26(35-25)34-22-9-8-20(15-23(22)40-3)37-12-10-36(11-13-37)17(2)38/h4-9,14-16H,1,10-13H2,2-3H3,(H,32,39)(H2,31,33,34,35)


cas: 137506-19-5
dtxsid: DTXSID40896545
formula: C11H6F17NO4
inchikey: LENQWYBQXKARDJ-UHFFFAOYSA-N
norman_susdat_id: NS00110464
smiles: OCCNC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
name:
2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-N-(2-hydroxyethyl)propanamide

inchi:
InChI=1/C11H6F17NO4/c12-4(7(16,17)18,3(31)29-1-2-30)32-11(27,28)6(15,9(22,23)24)33-10(25,26)5(13,14)8(19,20)21/h30H,1-2H2,(H,29,31)


name: 3-hydroxy-4-[[4-[(hydroxyimino)methyl]phenyl]azo]-N-(4-methoxyphenyl)naphthalene-2-carboxamide
cas: 13753-72-5
formula: C25H20N4O4
inchikey: KHSLVOXXCDXGFS-UHFFFAOYSA-N
norman_susdat_id: NS00052457
pubchem_cid: 83702
smiles: O=C(NC1=CC=C(OC)C=C1)C2=CC=3C=CC=CC3C(N=NC4=CC=C(C=NO)C=C4)=C2O
inchi:
InChI=1/C25H20N4O4/c1-33-20-12-10-18(11-13-20)27-25(31)22-14-17-4-2-3-5-21(17)23(24(22)30)29-28-19-8-6-16(7-9-19)15-26-32/h2-15,30,32H,1H3,(H,27,31)


name: Triostin A
cas: 13758-27-5
chemspiderid: 65433
formula: C50H62N12O12S2
inchikey: GULVULFEAVZHHC-SZZROTLHSA-N
norman_susdat_id: NS00011680
pubchem_cid: 72534
inchi:
InChI=1S/C50H62N12O12S2/c1-25(2)39-49(71)73-21-35(57-41(63)33-19-51-29-15-11-13-17-31(29)55-33)43(65)53-28(6)46(68)60(8)38-24-76-75-23-37(47(69)61(39)9)59(7)45(67)27(5)54-44(66)36(22-74-50(72)40(26(3)4)62(10)48(38)70)58-42(64)34-20-52-30-16-12-14-18-32(30)56-34/h11-20,25-28,35-40H,21-24H2,1-10H3,(H,53,65)(H,54,66)(H,57,63)(H,58,64)/t27-,28-,35+,36+,37+,38+,39-,40-/m0/s1

smiles:
C[C@H]1C(=O)N([C@@H]2CSSC[C@H](C(=O)N([C@H](C(=O)OC[C@H](C(=O)N1)NC(=O)c3cnc4ccccc4n3)C(C)C)C)N(C(=O)[C@@H](NC(=O)[C@@H](COC(=O)[C@@H](N(C2=O)C)C(C)C)NC(=O)c5cnc6ccccc6n5)C)C)C


name: Levomoramide
cas: 1375-81-4
formula: C25H32N2O2
inchikey: INUNXTSAACVKJS-NRFANRHFSA-N
norman_susdat_id: NS00081795
smiles: C[C@@H](CN1CCOCC1)C(C(=O)N2CCCC2)(c3ccccc3)c4ccccc4
inchi:
InChI=1/C25H32N2O2/c1-21(20-26-16-18-29-19-17-26)25(22-10-4-2-5-11-22,23-12-6-3-7-13-23)24(28)27-14-8-9-15-27/h2-7,10-13,21H,8-9,14-20H2,1H3


name: Ytterbium phosphate
cas: 13759-80-3
formula: H3O4P.Yb
inchikey: PXCFFOYHAWVVRC-UHFFFAOYSA-H
norman_susdat_id: NS00084663
smiles: [Yb+2].[Yb+2].[Yb+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]
inchi:
InChI=1/2H3O4P.3Yb.6H/c2*1-5(2,3)4;;;;;;;;;/h2*(H3,1,2,3,4);;;;;;;;;/q;;3*+2;;;;;;/p-6/r2H3O4P.3H2Yb/c2*1-5(2,3)4;;;/h2*(H3,1,2,3,4);3*1H2/q;;3*+2/p-6


name: Bisindolylmaleimide iii
cas: 137592-43-9
chebiid: CHEBI:41059
formula: C23H20N4O2
inchikey: APYXQTXFRIDSGE-UHFFFAOYSA-N
norman_susdat_id: NS00069048
pubchem_cid: 2398
smiles: NCCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21
inchi:
InChI=1S/C23H20N4O2/c24-10-5-11-27-13-17(15-7-2-4-9-19(15)27)21-20(22(28)26-23(21)29)16-12-25-18-8-3-1-6-14(16)18/h1-4,6-9,12-13,25H,5,10-11,24H2,(H,26,28,29)


cas: 13764-49-3
dtxsid: DTXSID00160254
formula: C25H33NO4
inchikey: JNHPUZURWFYYHW-DTUSRQQPSA-N
norman_susdat_id: NS00051231
pubchem_cid: 23623749
smiles: Cl.OC1=CC=C2C3=C1OC4C5(OC)C=CC6(CC5C(O)(C)CCC)C(N(C)CCC346)C2
name:
[5a,7a(R)]-4,5-epoxy-3-hydroxy-6-methoxy-a,17-dimethyl-a-propyl-6,14-ethenomorphinan-7-methanol hydrochloride

inchi:
InChI=1/C25H33NO4.ClH/c1-5-8-22(2,28)17-14-23-9-10-25(17,29-4)21-24(23)11-12-26(3)18(23)13-15-6-7-16(27)20(30-21)19(15)24;/h6-7,9-10,17-18,21,27-28H,5,8,11-14H2,1-4H3;1H


name: Picolinafen
cas: 137641-05-5
chebiid: CHEBI:138736
chemspiderid: 2542991
dtxsid: DTXSID8044339
formula: C19H12F4N2O2
inchikey: CWKFPEBMTGKLKX-UHFFFAOYSA-N
norman_susdat_id: NS00009710
pubchem_cid: 3294375
smiles: Fc1ccc(NC(=O)c2cccc(Oc3cccc(c3)C(F)(F)F)n2)cc1
eea_notation: CAS_137641-05-5
inchi:
InChI=1S/C19H12F4N2O2/c20-13-7-9-14(10-8-13)24-18(26)16-5-2-6-17(25-16)27-15-4-1-3-12(11-15)19(21,22)23/h1-11H,(H,24,26)


name: {1-[(1-Methylpiperidin-2-yl)methyl]-1H-indol-3-yl}(naphthalen-1-yl)methanone
cas: 137642-54-7
chemspiderid: 8105520
dtxsid: DTXSID50433001
formula: C26H26N2O1
inchikey: URKVBEKZCMUTQC-UHFFFAOYSA-N
norman_susdat_id: NS00017956
pubchem_cid: 9929889
smiles: CN1CCCCC1CN2C=C(C3=CC=CC=C32)C(=O)C4=CC=CC5=CC=CC=C54
inchi:
InChI=1S/C26H26N2O/c1-27-16-7-6-11-20(27)17-28-18-24(22-13-4-5-15-25(22)28)26(29)23-14-8-10-19-9-2-3-12-21(19)23/h2-5,8-10,12-15,18,20H,6-7,11,16-17H2,1H3


cas: 137658-79-8
chemspiderid: 10632763
dtxsid: DTXSID50888638
formula: C36H45N3O4
inchikey: WYLMGXULBMHUDT-UHFFFAOYSA-N
norman_susdat_id: NS00003154
pubchem_cid: NA
smiles: CCCCC(CC)COCC(O)COc1ccc(c(O)c1)-c1nc(nc(n1)-c1ccc(C)cc1C)-c1ccc(C)cc1C
name:
Phenol, 2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-[3-[(2-ethylhexyl)oxy]-2-hydroxypropoxy]-

inchi:
InChI=1S/C36H45N3O4/c1-7-9-10-27(8-2)20-42-21-28(40)22-43-29-13-16-32(33(41)19-29)36-38-34(30-14-11-23(3)17-25(30)5)37-35(39-36)31-15-12-24(4)18-26(31)6/h11-19,27-28,40-41H,7-10,20-22H2,1-6H3


name: N-Acetylnorcocaine
cas: 137668-43-0
chemspiderid: 519632
formula: C18H21NO5
inchikey: OHUOYIUXXBLSTC-UHFFFAOYSA-N
norman_susdat_id: NS00114063
pubchem_cid: 597759
smiles: CC(=O)N1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)OC
inchi:
InChI=1S/C18H21NO5/c1-11(20)19-13-8-9-14(19)16(18(22)23-2)15(10-13)24-17(21)12-6-4-3-5-7-12/h3-7,13-16H,8-10H2,1-2H3


name: Lead disulphamidate
cas: 13767-78-7
formula: H3NO3S.1/2Pb
inchikey: ZOWGRGPFDVHBAE-UHFFFAOYSA-L
norman_susdat_id: NS00085807
smiles: [Pb+2].NS(=O)(=O)[O-].[O-]S(N)(=O)=O
inchi:
InChI=1/2H3NO3S.Pb.2H/c2*1-5(2,3)4;;;/h2*(H3,1,2,3,4);;;/q;;+4;;/p-2/r2H3NO3S.H2Pb/c2*1-5(2,3)4;/h2*(H3,1,2,3,4);1H2/q;;+4/p-2


name: diiron trimolybdenum dodecaoxide
cas: 13769-81-8
dtxsid: DTXSID90893968
formula: Fe2HMo3O12
inchi: InChI=1S/2Fe.3Mo.H2O.11O/h;;;;;1H2;;;;;;;;;;;/q2*+3;3*+6;;11*-2/p-1
inchikey: YKBFMJZUZNLZPM-UHFFFAOYSA-M
norman_susdat_id: NS00113272
smiles:
[OH-].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[O--].[Fe+3].[Fe+3].[Mo+6].[Mo+6].[Mo+6]


cas: 1377049-84-7
chebiid: CHEBI:133009
formula: C49H54N8O8
inchikey: FHCUMDQMBHQXKK-CDIODLITSA-N
norman_susdat_id: NS00073601
pubchem_cid: 67683363
name:
Methyl n-[2-(2-{5-[6-(1-{2-[(methoxycarbonyl)amino]-3-methylbutanoyl}-5-methylpyrrolidin-2-yl)-21-oxa-5,7-diazapentacyclo[11.8.0.0³,¹¹.0?,?.0¹?,¹?]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1h-imidazol-2-yl}-4-(methoxymethyl)pyrrolidin-1-yl)-2-oxo-1-phenylethyl]carbamate

inchi:
InChI=1S/C49H54N8O8/c1-26(2)41(54-48(60)63-5)47(59)57-27(3)12-17-38(57)45-51-36-16-14-30-20-35-33-15-13-31(19-32(33)25-65-40(35)21-34(30)43(36)53-45)37-22-50-44(52-37)39-18-28(24-62-4)23-56(39)46(58)42(55-49(61)64-6)29-10-8-7-9-11-29/h7-11,13-16,19-22,26-28,38-39,41-42H,12,17-18,23-25H2,1-6H3,(H,50,52)(H,51,53)(H,54,60)(H,55,61)/t27-,28-,38-,39-,41-,42+/m0/s1

smiles:
COC[C@H]1C[C@@H](c2ncc(-c3ccc4c(c3)COc3cc5c(ccc6[nH]c([C@@H]7CC[C@H](C)N7C(=O)[C@@H](NC(=O)OC)C(C)C)nc65)cc3-4)[nH]2)N(C(=O)[C@H](NC(=O)OC)c2ccccc2)C1


name: Malonyl-glycitin
cas: 137705-39-6
chebiid: CHEBI:80374
chemspiderid: 23724657
formula: C25H24O13
inchikey: OWMHCYFEIJPHFB-GOZZSVHWSA-N
norman_susdat_id: NS00094570
pubchem_cid: 30777345
smiles:
COC1=C(C=C2C(=C1)C(=O)C(=CO2)C3=CC=C(C=C3)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O


name: 2,4-Bis(2,4-dimethylphenyl)-6-(2-hydroxy-4-isooctyloxyphenyl)-1,3,5-triazine
cas: 137759-38-7
dtxsid: DTXSID90621647
formula: C33H39N3O2
inchikey: GQOSQTPZCDSDJT-UHFFFAOYSA-N
norman_susdat_id: NS00112520
smiles: CC(C)CCCCCOC1=CC(=O)C(C=C1)=C1N=C(NC(=N1)C1=C(C)C=C(C)C=C1)C1=C(C)C=C(C)C=C1
inchi:
InChI=1S/C33H39N3O2/c1-21(2)10-8-7-9-17-38-26-13-16-29(30(37)20-26)33-35-31(27-14-11-22(3)18-24(27)5)34-32(36-33)28-15-12-23(4)19-25(28)6/h11-16,18-21H,7-10,17H2,1-6H3,(H,34,35,36)


name: Perfluoro-3,6-dioxadecanoic acid
cas: 137780-69-9
chemspiderid: 2058926
dtxsid: DTXSID50381073
formula: C8H1F15O4
inchikey: PPSAKBBLKCJDCR-UHFFFAOYSA-N
norman_susdat_id: NS00018767
pubchem_cid: 2778677
smiles: OC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C8HF15O4/c9-2(10,1(24)25)26-7(20,21)8(22,23)27-6(18,19)4(13,14)3(11,12)5(15,16)17/h(H,24,25)


name: Bis(tridecan-1-yl) carbonate
cas: 13784-55-9
dtxsid: DTXSID00929909
formula: C27H54O3
inchikey: GKVQWKKFAVIRMY-UHFFFAOYSA-N
norman_susdat_id: NS00052887
pubchem_cid: 83732
smiles: O=C(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC
inchi:
InChI=1/C27H54O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-27(28)30-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3


name: 2,2-bis[[(1-oxodecyl)oxy]methyl]-1,3-propanediyl didecanoate
cas: 13784-61-7
formula: C45H84O8
inchikey: MXNODNKXIIQMMI-UHFFFAOYSA-N
norman_susdat_id: NS00052901
pubchem_cid: 83733
smiles: O=C(OCC(COC(=O)CCCCCCCCC)(COC(=O)CCCCCCCCC)COC(=O)CCCCCCCCC)CCCCCCCCC
inchi:
InChI=1/C45H84O8/c1-5-9-13-17-21-25-29-33-41(46)50-37-45(38-51-42(47)34-30-26-22-18-14-10-6-2,39-52-43(48)35-31-27-23-19-15-11-7-3)40-53-44(49)36-32-28-24-20-16-12-8-4/h5-40H2,1-4H3


name: 1,5,9-Trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
cas: 13786-79-3
chemspiderid: 5021071
dtxsid: DTXSID6051697
formula: C15H24O1
inchikey: PAZWFUGWOAQBJJ-SVGXSMIJSA-N
norman_susdat_id: NS00013297
pubchem_cid: 6538423
smiles: CC1=C/CCC2(C)OC2CCC(=C/CC1)/C
inchi:
InChI=1S/C15H24O/c1-12-6-4-7-13(2)9-10-14-15(3,16-14)11-5-8-12/h7-8,14H,4-6,9-11H2,1-3H3/b12-8+,13-7+


name: Valsartan
cas: 137862-53-4
chebiid: CHEBI:94331
chemspiderid: 54833
dtxsid: DTXSID6023735
formula: C24H29N5O3
inchikey: ACWBQPMHZXGDFX-UHFFFAOYSA-N
norman_susdat_id: NS00000341
pubchem_cid: 60846
smiles: CCCCC(=O)N(CC1=CC=C(C=C1)C2=C(C=CC=C2)C3=NN=NN3)[C@@H](C(C)C)C(O)=O
inchi:
InChI=1S/C24H29N5O3/c1-4-5-10-21(30)29(22(16(2)3)24(31)32)15-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23-25-27-28-26-23/h6-9,11-14,16,22H,4-5,10,15H2,1-3H3,(H,31,32)(H,25,26,27,28)


name: Valsartan benzyl ester
cas: 137863-20-8
chemspiderid: 13811366
dtxsid: DTXSID70160342
formula: C31H35N5O3
inchikey: VXKKFWDUSKMRNO-UHFFFAOYSA-N
norman_susdat_id: NS00001769
pubchem_cid: 21840331
smiles: CCCCC(=O)N(Cc1ccc(cc1)-c1ccccc1-c1nn[nH]n1)C(C(C)C)C(=O)OCc1ccccc1
inchi:
InChI=1S/C31H35N5O3/c1-4-5-15-28(37)36(29(22(2)3)31(38)39-21-24-11-7-6-8-12-24)20-23-16-18-25(19-17-23)26-13-9-10-14-27(26)30-32-34-35-33-30/h6-14,16-19,22,29H,4-5,15,20-21H2,1-3H3,(H,32,33,34,35)


cas: 1378928-76-7
dtxsid: DTXSID90882731
norman_susdat_id: NS00112007
name:
Ethanesulfonyl fluoride, 2-[1-[difluoro][(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-, polymer with 1,1,2,2-tetrafluoroethene, hydrolyzed, potassium salts


cas: 1378930-04-1
dtxsid: DTXSID10882773
norman_susdat_id: NS00109264
name:
Ethanesulfonyl fluoride, 2-[1-[difluoro][(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-, polymer with 1,1,2,2-tetrafluoroethene, hydrolyzed


cas: 1378930-30-3
dtxsid: DTXSID00882722
norman_susdat_id: NS00108899
name:
Propanoic acid, 3-[1-[difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-2,2,3,3-tetrafluoro-, methyl ester, polymer with 1,1,2,2-tetrafluoroethene, hydrolyzed, potassium salts


name: Lenabasum
cas: 137945-48-3
dtxsid: DTXSID40900959
formula: C25H36O4
inchikey: YCHYFHOSGQABSW-RTBURBONSA-N
norman_susdat_id: NS00068771
pubchem_cid: 3083542
smiles: CCCCCCC(C)(C)c1cc(O)c2c(c1)OC(C)(C)[C@@H]1CC=C(C(=O)O)C[C@@H]21
inchi:
InChI=1S/C25H36O4/c1-6-7-8-9-12-24(2,3)17-14-20(26)22-18-13-16(23(27)28)10-11-19(18)25(4,5)29-21(22)15-17/h10,14-15,18-19,26H,6-9,11-13H2,1-5H3,(H,27,28)/t18-,19-/m1/s1


name: Quino[2,3-b]acridine-7,14-dione, 5,6,12,13-tetrahydro-2,9-dimethyl-
cas: 13796-22-0
chemspiderid: 75560
dtxsid: DTXSID6065638
formula: C22H18N2O2
inchikey: XZDLFPWBCHSYFJ-UHFFFAOYSA-N
norman_susdat_id: NS00024471
pubchem_cid: 83738
smiles: Cc1cc2c([nH]c3c(Cc4c(C3)c(=O)c3c([nH]4)ccc(C)c3)c2=O)cc1
inchi:
InChI=1S/C22H18N2O2/c1-11-3-5-17-13(7-11)21(25)15-9-20-16(10-19(15)23-17)22(26)14-8-12(2)4-6-18(14)24-20/h3-8H,9-10H2,1-2H3,(H,23,25)(H,24,26)


name: JWH-122 N-(5-hydroxypentyl) metabolite
cas: 1379604-68-8
chemspiderid: 29341442
dtxsid: DTXSID001017816
formula: C25H25NO2
inchikey: JRALTDRFXRCGRH-UHFFFAOYSA-N
norman_susdat_id: NS00100948
pubchem_cid: 91744121
smiles: Cc1ccc(c2c1cccc2)C(=O)c3cn(c4c3cccc4)CCCCCO
inchi:
InChI=1S/C25H25NO2/c1-18-13-14-22(20-10-4-3-9-19(18)20)25(28)23-17-26(15-7-2-8-16-27)24-12-6-5-11-21(23)24/h3-6,9-14,17,27H,2,7-8,15-16H2,1H3


name: N-Acetyl Sitagliptin
cas: 1379666-94-0
chemspiderid: 48057586
formula: C18H17F6N5O2
inchikey: YGFMQPHTQKCJPI-NSHDSACASA-N
norman_susdat_id: NS00004514
pubchem_cid: NA
smiles: CC(=O)N[C@H](CC(=O)N1CCn2c(C1)nnc2C(F)(F)F)Cc1cc(F)c(F)cc1F
inchi:
InChI=1S/C18H17F6N5O2/c1-9(30)25-11(4-10-5-13(20)14(21)7-12(10)19)6-16(31)28-2-3-29-15(8-28)26-27-17(29)18(22,23)24/h5,7,11H,2-4,6,8H2,1H3,(H,25,30)/t11-/m0/s1


name: Protizinic acid
cas: 13799-03-6
chebiid: CHEBI:32067
formula: C17H17NO3S
inchikey: VSQMKHNDXWGCDB-UHFFFAOYSA-N
norman_susdat_id: NS00052146
pubchem_cid: 71862
smiles: O=C(O)C(C1=CC=C2SC3=CC(OC)=CC=C3N(C2=C1)C)C
inchi:
InChI=1/C17H17NO3S/c1-10(17(19)20)11-4-7-15-14(8-11)18(2)13-6-5-12(21-3)9-16(13)22-15/h4-10H,1-3H3,(H,19,20)


name: Deferoxamine mesilate
cas: 138-14-7
chebiid: CHEBI:31460
formula: C25H48N6O8.CH4O3S
inchikey: IDDIJAWJANBQLJ-UHFFFAOYSA-N
norman_susdat_id: NS00079182
smiles: CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN.CS(=O)(=O)O
inchi:
InChI=1/C25H48N6O8.CH4O3S/c1-21(32)29(37)18-9-3-6-16-27-22(33)12-14-25(36)31(39)20-10-4-7-17-28-23(34)11-13-24(35)30(38)19-8-2-5-15-26;1-5(2,3)4/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34);1H3,(H,2,3,4)


name: Benzenesulfonic acid, 3-[(4-amino-3-methoxyphenyl)azo]-
cas: 138-28-3
chemspiderid: 60643
dtxsid: DTXSID3059680
formula: C13H13N3O4S1
inchikey: FUWKWQCNMNPILC-UHFFFAOYSA-N
norman_susdat_id: NS00024476
pubchem_cid: 67311
smiles: COc1c(N)ccc(c1)N=Nc1cccc(c1)S(=O)(=O)O
inchi:
InChI=1S/C13H13N3O4S/c1-20-13-8-10(5-6-12(13)14)16-15-9-3-2-4-11(7-9)21(17,18)19/h2-8H,14H2,1H3,(H,17,18,19)/b16-15+


name: Hexadecyltrimethylammonium toluene-p-sulphonate
cas: 138-32-9
formula: C19H42N.C7H7O3S
inchikey: MZMRZONIDDFOGF-UHFFFAOYSA-M
norman_susdat_id: NS00079183
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)C.Cc1ccc(cc1)S(=O)(=O)[O-]
inchi:
InChI=1/C19H42N.C7H8O3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-19H2,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: Sodium [[4-(aminosulphonyl)phenyl]amino]methanesulphonate
cas: 138-43-2
formula: C7H10N2O5S2
inchikey: VKZGVDCPGKEMEW-UHFFFAOYSA-M
norman_susdat_id: NS00041621
pubchem_cid: 176886
smiles: [Na+].O=S(=O)(N)C1=CC=C(C=C1)NCS(=O)(=O)[O-]
inchi:
InChI=1/C7H10N2O5S2.Na/c8-16(13,14)7-3-1-6(2-4-7)9-5-15(10,11)12;/h1-4,9H,5H2,(H2,8,13,14)(H,10,11,12);/q;+1/p-1


name: alpha-Hydroxy-o-tolyl beta-D-glucopyranoside
cas: 138-52-3
chebiid: CHEBI:17814
chemspiderid: 388601
dtxsid: DTXSID10883326
formula: C13H18O7
inchikey: NGFMICBWJRZIBI-UJPOAAIJSA-N
norman_susdat_id: NS00015239
pubchem_cid: 439503
smiles: C1=CC=C(C(=C1)CO)OC2C(C(C(C(O2)CO)O)O)O
inchi:
InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1


name: Picrocrocin
cas: 138-55-6
chebiid: CHEBI:53168
chemspiderid: 115678
dtxsid: DTXSID40160450
formula: C16H26O7
inchikey: WMHJCSAICLADIN-WYWSWGBSSA-N
norman_susdat_id: NS00094694
pubchem_cid: 130796
smiles: CC1=C(C=O)C(C)(C)C[C@@H](C1)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
inchi:
InChI=1S/C16H26O7/c1-8-4-9(5-16(2,3)10(8)6-17)22-15-14(21)13(20)12(19)11(7-18)23-15/h6,9,11-15,18-21H,4-5,7H2,1-3H3/t9-,11-,12-,13+,14-,15-/m1/s1


name: Trimethobenzamide
cas: 138-56-7
chebiid: CHEBI:27796
chemspiderid: 5375
dtxsid: DTXSID8023711
formula: C21H28N2O5
inchikey: FEZBIKUBAYAZIU-UHFFFAOYSA-N
norman_susdat_id: NS00010374
pubchem_cid: 5577
smiles: CN(C)CCOc1ccc(cc1)CNC(=O)c2cc(c(c(c2)OC)OC)OC
inchi:
InChI=1S/C21H28N2O5/c1-23(2)10-11-28-17-8-6-15(7-9-17)14-22-21(24)16-12-18(25-3)20(27-5)19(13-16)26-4/h6-9,12-13H,10-11,14H2,1-5H3,(H,22,24)


name: Hydroxyiodo[(3,4,5-trihydroxybenzoyl)oxy]- bismuthine
cas: 138-58-9
formula: C7H6BiIO6
inchikey: UODGKBVALXDDPO-UHFFFAOYSA-K
norman_susdat_id: NS00079600
smiles: O[Bi](I)OC(=O)c1cc(O)c(O)c(O)c1
inchi:
InChI=1/C7H6O5.Bi.HI.H2O/c8-4-1-3(7(11)12)2-5(9)6(4)10;;;/h1-2,8-10H,(H,11,12);;1H;1H2/q;+3;;/p-3/rC7H6BiIO6/c9-8(14)15-7(13)3-1-4(10)6(12)5(11)2-3/h1-2,10-12,14H


name: Sodium 4-hydroxymercuriobenzoate
cas: 138-85-2
formula: C7H5HgO3.Na
inchikey: CBELQCYFTSHKPJ-UHFFFAOYSA-L
norman_susdat_id: NS00079360
smiles: [Na+].O[Hg]c1ccc(cc1)C(=O)[O-]
inchi:
InChI=1/C7H5O2.Hg.Na.H2O/c8-7(9)6-4-2-1-3-5-6;;;/h2-5H,(H,8,9);;;1H2/q;2*+1;/p-2/rC7H6HgO3.Na/c9-7(10)5-1-3-6(8-11)4-2-5;/h1-4,11H,(H,9,10);/q;+1/p-1


name: Lepirudin
cas: 138068-37-8
chebiid: CHEBI:142437
inchikey: FIBJDTSHOUXTKV-BRHMIFOHSA-N
norman_susdat_id: NS00078788
smiles:
CC[C@H](C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](Cc2c[nH]cn2)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCCN)NC(=O)[C@@H]4CCCN4C(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]5CSSC[C@@H]6NC(=O)[C@@H](NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)CNC6=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N5)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]7CSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](NC(=O)[C@H](Cc8ccc(O)cc8)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N7)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O)C(=O)N9CCC[C@H]9C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc%10ccc(O)cc%10)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)O


name: GADOBUTROL
cas: 138071-82-6
chemspiderid: 4810341
formula: C18H34N4O9
inchikey: JZNZSKXIEDHOBD-UHFFFAOYSA-N
norman_susdat_id: NS00014336
pubchem_cid: 189914
smiles: [Ga+3].OC[C@@H](O)[C@@H](CO)N1CCN(CCN(CCN(CC1)CC([O-])=O)CC([O-])=O)CC([O-])=O
inchi:
InChI=1S/C18H34N4O9/c23-12-14(15(25)13-24)22-7-5-20(10-17(28)29)3-1-19(9-16(26)27)2-4-21(6-8-22)11-18(30)31/h14-15,23-25H,1-13H2,(H,26,27)(H,28,29)(H,30,31)/p-3


name: Agomelatine
cas: 138112-76-2
chebiid: CHEBI:134990
chemspiderid: 74141
dtxsid: DTXSID3057642
formula: C15H17N1O2
inchikey: YJYPHIXNFHFHND-UHFFFAOYSA-N
norman_susdat_id: NS00007664
pubchem_cid: 82148
smiles: COc1ccc2cccc(CCNC(C)=O)c2c1
inchi:
InChI=1S/C15H17NO2/c1-11(17)16-9-8-13-5-3-4-12-6-7-14(18-2)10-15(12)13/h3-7,10H,8-9H2,1-2H3,(H,16,17)


name: Butroxydim
cas: 138164-12-2
chemspiderid: 16742460
dtxsid: DTXSID0057968
formula: C24H33N1O4
inchikey: ZOGDSYNXUXQGHF-UHFFFAOYSA-N
norman_susdat_id: NS00009016
pubchem_cid: NA
smiles: CCCC(=O)c1c(C)cc(C)c(C2CC(O)=C(C(CC)=NOCC)C(=O)C2)c1C
inchi:
InChI=1S/C24H33NO4/c1-7-10-19(26)23-15(5)11-14(4)22(16(23)6)17-12-20(27)24(21(28)13-17)18(8-2)25-29-9-3/h11,17,27H,7-10,12-13H2,1-6H3


name: [[4,6-bis[bis(methoxymethyl)amino]-1,3,5-triazin-2-yl](methoxymethyl)amino]methanol
cas: 13822-63-4
dtxsid: DTXSID90930024
formula: C14H28N6O6
inchikey: JQALNNOQTGZTJZ-UHFFFAOYSA-N
norman_susdat_id: NS00052189
pubchem_cid: 83757
smiles: OCN(C=1N=C(N=C(N1)N(COC)COC)N(COC)COC)COC
inchi:
InChI=1/C14H28N6O6/c1-22-7-18(6-21)12-15-13(19(8-23-2)9-24-3)17-14(16-12)20(10-25-4)11-26-5/h21H,6-11H2,1-5H3


name: 2-Naphthalenecarboxamide, 3-hydroxy-N-(4-methoxyphenyl)-4-[(4-methylphenyl)azo]-
cas: 13824-00-5
dtxsid: DTXSID9065657
formula: C25H21N3O3
inchikey: UWMSGQGNEWJUMM-UHFFFAOYSA-N
norman_susdat_id: NS00052159
pubchem_cid: 83758
smiles: O=C(NC1=CC=C(OC)C=C1)C2=CC=3C=CC=CC3C(N=NC4=CC=C(C=C4)C)=C2O
inchi:
InChI=1/C25H21N3O3/c1-16-7-9-19(10-8-16)27-28-23-21-6-4-3-5-17(21)15-22(24(23)29)25(30)26-18-11-13-20(31-2)14-12-18/h3-15,29H,1-2H3,(H,26,30)


name: N,N',1,3-tetraphenyl-1,3,2,4-diazadiphosphetidine-2,4-diamine 2,4-dioxide
cas: 13824-04-9
dtxsid: DTXSID80160550
formula: C24H22N4O2P2
inchikey: OKYVWDASQAVFMV-UHFFFAOYSA-N
norman_susdat_id: NS00051798
pubchem_cid: 83759
smiles: O=P1(NC=2C=CC=CC2)N(C=3C=CC=CC3)P(=O)(NC=4C=CC=CC4)N1C=5C=CC=CC5
inchi:
InChI=1/C24H22N4O2P2/c29-31(25-21-13-5-1-6-14-21)27(23-17-9-3-10-18-23)32(30,26-22-15-7-2-8-16-22)28(31)24-19-11-4-12-20-24/h1-20H,(H,25,29)(H,26,30)


name: Dilanthanum trimagnesium dodecanitrate
cas: 13826-42-1
formula: HNO3.1/6La.1/4Mg
inchi: InChI=1/2La.3Mg.12NO3/c;;;;;12*2-1(3)4/q2*+3;3*+2;12*-1
inchikey: UQNPQKKXQOPCHF-UHFFFAOYSA-N
norman_susdat_id: NS00085414
smiles:
[Mg+2].[Mg+2].[Mg+2].[La+3].[La+3].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-]


name: Lead nitrite
cas: 13826-65-8
formula: HNO2.1/2Pb
inchikey: VVOUQFXJSCDIAO-UHFFFAOYSA-L
norman_susdat_id: NS00085510
smiles: [Pb+2].[O-]N=O.[O-]N=O
inchi:
InChI=1/2HNO2.Pb.2H/c2*2-1-3;;;/h2*(H,2,3);;;/q;;+4;;/p-2/r2HNO2.H2Pb/c2*2-1-3;/h2*(H,2,3);1H2/q;;+4/p-2


name: Boron zinc hydroxide oxide (B12Zn4(OH)14O15)
cas: 138265-88-0
dtxsid: DTXSID70872776
formula: B12H14O29Zn4
inchikey: GRAWFQNFTLXFOR-UHFFFAOYSA-N
norman_susdat_id: NS00076110
inchi:
InChI=1S/6B2O3.7H2O.4O.4Zn/c6*3-1-4-2(3)5-1;;;;;;;;;;;;;;;/h;;;;;;7*1H2;;;;;;;;/q;;;;;;;;;;;;;4*-1;4*+1

smiles:
O.O.O.O.O.O.O.[O-][Zn+].[O-][Zn+].[O-][Zn+].[O-][Zn+].O1B2OB1O2.O1B2OB1O2.O1B2OB1O2.O1B2OB1O2.O1B2OB1O2.O1B2OB1O2


name: Cadmium diricinoleate
cas: 13832-25-2
formula: C18H34O3.1/2Cd
inchikey: GBLYTSBKAKSXHI-GNNYBVKZSA-L
norman_susdat_id: NS00085511
smiles: [Cd+2].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H34O3.Cd/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;;+2/p-2


name: STEARYL GLYCYRRHETI- NATE
cas: 13832-70-7
chemspiderid: 3843265
formula: C48H82O4
inchikey: WNIFXKPDILJURQ-UHFFFAOYSA-N
norman_susdat_id: NS00014128
pubchem_cid: 4653918
inchi:
InChI=1S/C48H82O4/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-33-52-42(51)45(5)30-29-44(4)31-32-47(7)36(37(44)35-45)34-38(49)41-46(6)27-26-40(50)43(2,3)39(46)25-28-48(41,47)8/h34,37,39-41,50H,9-33,35H2,1-8H3/t37-,39?,40+,41-,44-,45-,46+,47-,48-/m1/s1

smiles:
CCCCCCCCCCCCCCCCCCOC(=O)[C@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@@]34C)[C@H]2C1


name: O,O-dipentyl hydrogen dithiophosphate, compound with 2-aminoethanol (1:1)
cas: 13833-42-6
formula: C10H23O2PS2.C2H7NO
inchikey: RFCQVBHYQAVNCZ-UHFFFAOYSA-N
norman_susdat_id: NS00085512
smiles: CCCCCOP(=S)(S)OCCCCC.NCCO
inchi:
InChI=1/C10H23O2PS2.C2H7NO/c1-3-5-7-9-11-13(14,15)12-10-8-6-4-2;3-1-2-4/h3-10H2,1-2H3,(H,14,15);4H,1-3H2


cas: 1383437-42-0
dtxsid: DTXSID60897190
formula: C54H12F102N3O18P3
inchikey: XBZUOIVOOVILBJ-UHFFFAOYSA-N
norman_susdat_id: NS00111168
name:
2λ5,4λ5,6λ5-1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexakis[2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-

inchi:
InChI=1/C54H12F102N3O18P3/c55-7(25(79,80)81,166-49(145,146)19(73,37(115,116)117)172-43(133,134)13(61,62)31(97,98)99)1-160-178(161-2-8(56,26(82,83)84)167-50(147,148)20(74,38(118,119)120)173-44(135,136)14(63,64)32(100,101)102)157-179(162-3-9(57,27(85,86)87)168-51(149,150)21(75,39(121,122)123)174-45(137,138)15(65,66)33(103,104)105,163-4-10(58,28(88,89)90)169-52(151,152)22(76,40(124,125)126)175-46(139,140)16(67,68)34(106,107)108)159-180(158-178,164-5-11(59,29(91,92)93)170-53(153,154)23(77,41(127,128)129)176-47(141,142)17(69,70)35(109,110)111)165-6-12(60,30(94,95)96)171-54(155,156)24(78,42(130,131)132)177-48(143,144)18(71,72)36(112,113)114/h1-6H2

smiles:
FC(F)(F)C(F)(COP1(OCC(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)=NP(OCC(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)(OCC(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)=NP(OCC(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)(OCC(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F)=N1)OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F


name: N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino[[(4-methylphenyl)sulphonyl]amino]methyl]-L-ornithine
cas: 13836-37-8
dtxsid: DTXSID30884719
formula: C18H28N4O6S
inchikey: WBIIPXYJAMICNU-AWEZNQCLSA-N
norman_susdat_id: NS00053033
pubchem_cid: NA
smiles: O=C(OC(C)(C)C)NC(C(=O)O)CCCNC(=N)NS(=O)(=O)C1=CC=C(C=C1)C
inchi:
InChI=1/C18H28N4O6S/c1-12-7-9-13(10-8-12)29(26,27)22-16(19)20-11-5-6-14(15(23)24)21-17(25)28-18(2,3)4/h7-10,14H,5-6,11H2,1-4H3,(H,21,25)(H,23,24)(H3,19,20,22)


name: BADGE-HCl
cas: 13836-48-1
chemspiderid: 3380692
dtxsid: DTXSID30400216
formula: C21H25Cl1O4
inchikey: HLLOKZYCSSQYEB-UHFFFAOYSA-N
norman_susdat_id: NS00001525
pubchem_cid: 4169196
smiles: CC(C)(c1ccc(OCC(O)CCl)cc1)c1ccc(OCC2CO2)cc1
inchi:
InChI=1S/C21H25ClO4/c1-21(2,15-3-7-18(8-4-15)24-12-17(23)11-22)16-5-9-19(10-6-16)25-13-20-14-26-20/h3-10,17,20,23H,11-14H2,1-2H3


name: 1-[(difluoromethyl)sulfonyl]-3-(4,6-dimethoxy-1,3,5-triazin-2-yl)-7-fluoro-1H-indol-2-ol
cas: 1383692-20-3
chemspiderid: NA
formula: C14H11F3N4O5S1
inchikey: QGEQDGCRLILLQI-UHFFFAOYSA-N
norman_susdat_id: NS00004743
pubchem_cid: 88540541
smiles: COC1=NC(OC)=NC(N1)=C1C(=O)N(c2c1cccc2F)S(=O)(=O)C(F)F
inchi:
InChI=1S/C14H11F3N4O5S/c1-25-13-18-10(19-14(20-13)26-2)8-6-4-3-5-7(15)9(6)21(11(8)22)27(23,24)12(16)17/h3-5,12H,1-2H3,(H,18,19,20)


name: Methanone, [methylenebis(6-hydroxy-4-methoxy-3,1-phenylene)]bis[phenyl-
cas: 138370-37-3
chemspiderid: 100079
dtxsid: DTXSID3071723
formula: C29H24O6
inchikey: DCBNMBIOGUANTC-UHFFFAOYSA-N
norman_susdat_id: NS00014937
pubchem_cid: 111542
smiles: COc1cc(O)c(cc1Cc1cc(c(cc1OC)O)C(=O)c1ccccc1)C(=O)c1ccccc1
inchi:
InChI=1S/C29H24O6/c1-34-26-16-24(30)22(28(32)18-9-5-3-6-10-18)14-20(26)13-21-15-23(25(31)17-27(21)35-2)29(33)19-11-7-4-8-12-19/h3-12,14-17,30-31H,13H2,1-2H3


name: Azidamfenicol [INN:BAN:DCF]
cas: 13838-08-9
chebiid: CHEBI:135238
chemspiderid: 56590
dtxsid: DTXSID90160647
formula: C11H13N5O5
inchikey: SGRUZFCHLOFYHZ-MWLCHTKSSA-N
norman_susdat_id: NS00001205
pubchem_cid: 62858
smiles: OC[C@@H](NC(=O)CN=[N+]=[N-])[C@H](O)c1ccc(cc1)[N+]([O-])=O
inchi:
InChI=1S/C11H13N5O5/c12-15-13-5-10(18)14-9(6-17)11(19)7-1-3-8(4-2-7)16(20)21/h1-4,9,11,17,19H,5-6H2,(H,14,18)/t9-,11-/m1/s1


name: 4'-[(2-Butyl-4-oxo-1,3-diazaspiro[4.4]non-1-en-3-yl)methyl][1,1'-biphenyl]-2-carbonitrile
cas: 138401-24-8
chemspiderid: 8018831
dtxsid: DTXSID20431716
formula: C25H27N3O1
inchikey: KWEQEHOPDHARIA-UHFFFAOYSA-N
norman_susdat_id: NS00005327
pubchem_cid: 9843116
smiles: CCCCC1=NC2(CCCC2)C(=O)N1Cc1ccc(cc1)-c1ccccc1C#N
inchi:
InChI=1S/C25H27N3O/c1-2-3-10-23-27-25(15-6-7-16-25)24(29)28(23)18-19-11-13-20(14-12-19)22-9-5-4-8-21(22)17-26/h4-5,8-9,11-14H,2-3,6-7,10,15-16,18H2,1H3


name: Irbesartan
cas: 138402-11-6
chebiid: CHEBI:5959
chemspiderid: 3618
dtxsid: DTXSID0023169
formula: C25H28N6O1
inchikey: YOSHYTLCDANDAN-UHFFFAOYSA-N
norman_susdat_id: NS00000387
pubchem_cid: 3749
smiles: C12(C(N(Cc3ccc(c4c(c5[nH]nnn5)cccc4)cc3)C(=N1)CCCC)=O)CCCC2
inchi:
InChI=1S/C25H28N6O/c1-2-3-10-22-26-25(15-6-7-16-25)24(32)31(22)17-18-11-13-19(14-12-18)20-8-4-5-9-21(20)23-27-29-30-28-23/h4-5,8-9,11-14H,2-3,6-7,10,15-17H2,1H3,(H,27,28,29,30)


name: Gambieric acid A
cas: 138434-64-7
dtxsid: DTXSID60880108
formula: C59H92O16
inchikey: MSZMCMVREIGRAG-PXDMALBISA-N
norman_susdat_id: NS00075606
inchi:
InChI=1/C59H92O16/c1-30(18-31(2)28-60)19-42-33(4)21-48-56(7,74-42)27-46-54(71-48)55(65)59(10)50(69-46)26-45-53(75-59)32(3)12-11-13-40-39(67-45)16-17-47-57(8,72-40)29-58(9)49(70-47)25-44-41(73-58)15-14-38(62)43(68-44)24-36(61)23-37-20-34(5)52(66-37)35(6)22-51(63)64/h11-12,18,31-32,34-50,52-55,60-62,65H,4,13-17,19-29H2,1-3,5-10H3,(H,63,64)/b12-11-,30-18+/t31-,32+,34+,35+,36-,37-,38+,39+,40-,41+,42-,43+,44-,45-,46-,47-,48-,49+,50+,52-,53+,54-,55+,56+,57+,58-,59+/s2

smiles:
[H][C@]1(O[C@@H](C[C@@H](O)C[C@@H]2O[C@]3([H])C[C@]4([H])O[C@]5([H])CC[C@]6([H])O[C@]7([H])C[C@]8([H])O[C@]9([H])C[C@]%10(C)O[C@H](CC(C)=C[C@@H](C)CO)C(=C)C[C@@]%10([H])O[C@@]9([H])[C@H](O)[C@@]8(C)O[C@@]7([H])[C@@H](C)C=C/C[C@@]6([H])O[C@@]5(C)C[C@@]4(C)O[C@@]3([H])CC[C@@H]2O)C[C@@H]1C)[C@@H](C)CC(O)=O


name: Tripotassium hexachlororhodate
cas: 13845-07-3
formula: Cl6Rh.3K
inchikey: OTTFMKVYRNCSPT-UHFFFAOYSA-A
norman_susdat_id: NS00084778
smiles: [K+].[K+].[K+].Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl.Cl[Rh-](Cl)(Cl)(Cl)(Cl)Cl
inchi:
InChI=1/18ClH.3K.3Rh/h18*1H;;;;;;/q;;;;;;;;;;;;;;;;;;3*+1;3*+6/p-18/r3Cl6Rh.3K/c3*1-7(2,3,4,5)6;;;/q;;;3*+1


name: PENTAPOTASSIUM TRI- PHOSPHATE
cas: 13845-36-8
chebiid: CHEBI:39949
chemspiderid: 958
formula: H5O10P3
inchikey: UNXRWKVEANCORM-UHFFFAOYSA-N
norman_susdat_id: NS00013969
pubchem_cid: 983
smiles: [K+].[K+].[K+].[K+].[K+].[O-][P]([O-])(=O)O[P]([O-])(=O)O[P]([O-])([O-])=O
inchi:
InChI=1S/5K.H5O10P3/c;;;;;1-11(2,3)9-13(7,8)10-12(4,5)6/h;;;;;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q5*+1;/p-5


name: 2-[1-(4-cyanophenyl)-2-(diphenylmethyl)carbamimidamido]acetic acid
cas: 138460-25-0
chebiid: CHEBI:385425
dtxsid: DTXSID70930123
formula: C23H20N4O2
inchikey: KGHMYJFHUHFOGL-UHFFFAOYSA-N
norman_susdat_id: NS00068833
pubchem_cid: 4447
smiles: N#Cc1ccc(N/C(=N/C(c2ccccc2)c2ccccc2)NCC(=O)O)cc1
inchi:
InChI=1S/C23H20N4O2/c24-15-17-11-13-20(14-12-17)26-23(25-16-21(28)29)27-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22H,16H2,(H,28,29)(H2,25,26,27)


name: 1-(Perfluoro-n-octyl)decane
cas: 138472-76-1
dtxsid: DTXSID90381976
formula: C18H21F17
inchikey: QHOQQFYKDKRESO-UHFFFAOYSA-N
norman_susdat_id: NS00111914
smiles: CCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C18H21F17/c1-2-3-4-5-6-7-8-9-10-11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h2-10H2,1H3


name: Ro 31-7549
cas: 138516-31-1
dtxsid: DTXSID00154734
formula: C24H22N4O2
inchikey: UQHKJRCFSLMWIA-UHFFFAOYSA-N
norman_susdat_id: NS00068800
pubchem_cid: 2403
smiles: Cn1cc(C2=C(c3cn(CCCN)c4ccccc34)C(=O)NC2=O)c2ccccc21
inchi:
InChI=1S/C24H22N4O2/c1-27-13-17(15-7-2-4-9-19(15)27)21-22(24(30)26-23(21)29)18-14-28(12-6-11-25)20-10-5-3-8-16(18)20/h2-5,7-10,13-14H,6,11-12,25H2,1H3,(H,26,29,30)


name: 5(6)-1(2H)-Phthalazinonyl-4(1H)-benzimidazole-2-carbamate methyl ester
cas: 138525-71-0
chemspiderid: 116743
dtxsid: DTXSID50160704
formula: C17H13N5O3
inchikey: RUTAYAFBXACDGP-UHFFFAOYSA-N
norman_susdat_id: NS00016321
pubchem_cid: 132163
smiles: COC(=O)NC1=NC2=C(N1)C=C(C=C2)C3=NNC(=O)C4=CC=CC=C43
inchi:
InChI=1S/C17H13N5O3/c1-25-17(24)20-16-18-12-7-6-9(8-13(12)19-16)14-10-4-2-3-5-11(10)15(23)22-21-14/h2-8H,1H3,(H,22,23)(H2,18,19,20,24)


name: Galantide
cas: 138579-66-5
chemspiderid: NA
dtxsid: DTXSID00160714
formula: C26H36N2O7S1
inchikey: VUFAOQDOGUJVPU-UHFFFAOYSA-N
norman_susdat_id: NS00008528
pubchem_cid: NA
smiles: COc1ccc(cc1OC)C(CCCN(C)CCc1ccc(OS(O)(=O)=O)c(OC)c1)(C#N)C(C)C
inchi:
InChI=1S/C26H36N2O7S/c1-19(2)26(18-27,21-9-11-22(32-4)25(17-21)34-6)13-7-14-28(3)15-12-20-8-10-23(24(16-20)33-5)35-36(29,30)31/h8-11,16-17,19H,7,12-15H2,1-6H3,(H,29,30,31)


name: Icatibant
cas: 138614-30-9
chemspiderid: 64461
formula: C59H89N19O13S1
inchikey: QURWXBZNHXJZBE-MCDGZUPGSA-N
norman_susdat_id: NS00007352
pubchem_cid: 71364
inchi:
InChI=1S/C59H89N19O13S/c60-37(14-5-19-67-57(61)62)48(82)72-38(15-6-20-68-58(63)64)52(86)75-22-8-18-43(75)54(88)77-30-35(80)26-44(77)50(84)70-28-47(81)71-40(27-36-13-9-23-92-36)49(83)74-41(31-79)53(87)76-29-34-12-2-1-10-32(34)24-46(76)55(89)78-42-17-4-3-11-33(42)25-45(78)51(85)73-39(56(90)91)16-7-21-69-59(65)66/h1-2,9-10,12-13,23,33,35,37-46,79-80H,3-8,11,14-22,24-31,60H2,(H,70,84)(H,71,81)(H,72,82)(H,73,85)(H,74,83)(H,90,91)(H4,61,62,67)(H4,63,64,68)(H4,65,66,69)/t33-,35+,37+,38?,39-,40-,41-,42-,43?,44?,45?,46?/m0/s1

smiles:
N[C@H](CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)N1C[C@H](O)CC1C(=O)NCC(=O)N[C@@H](Cc1cccs1)C(=O)N[C@@H](CO)C(=O)N1Cc2ccccc2CC1C(=O)N1[C@H]2CCCC[C@H]2CC1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O


cas: 13863-31-5
inchikey: VVYVUOFMPAXVCH-UHFFFAOYSA-L
norman_susdat_id: NS00077194
name:
disodium 4,4'-bis[[6-anilino-4-[(2-hydroxyethyl)methylamino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

smiles:
[Na+].[Na+].CN(CCO)c1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccccc5)nc(n4)N(C)CCO)cc3S([O-])(=O)=O)c(c2)S([O-])(=O)=O)n1


name: Trisodium hydrogen [(tetradecylimino)bis(methylene)]diphosphonate
cas: 13868-69-4
formula: C16H37NO6P2.3Na
inchikey: DBKYVFFVXJMOFC-UHFFFAOYSA-J
norman_susdat_id: NS00085149
smiles: [Na+].[Na+].[Na+].CCCCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C16H37NO6P2.3Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-24(18,19)20)16-25(21,22)23;;;/h2-16H2,1H3,(H2,18,19,20)(H2,21,22,23);;;/q;3*+1/p-4


name: Trisodium hydrogen [(methylimino)dimethylene]diphosphonate
cas: 13868-70-7
formula: C3H11NO6P2.3Na
inchikey: MIEXMTGLZIWATN-UHFFFAOYSA-J
norman_susdat_id: NS00084810
smiles: [Na+].[Na+].[Na+].CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C3H11NO6P2.3Na/c1-4(2-11(5,6)7)3-12(8,9)10;;;/h2-3H2,1H3,(H2,5,6,7)(H2,8,9,10);;;/q;3*+1/p-4


name: [N-(carboxymethyl)glycinato-N,O,ON]cobalt
cas: 13869-30-2
formula: C4H5CoNO4
inchikey: WCHCVVDGTSGGQL-UHFFFAOYSA-M
norman_susdat_id: NS00084811
smiles: OC(=O)CN1CC(=O)O[Co]1
inchi:
InChI=1/C4H6NO4.Co/c6-3(7)1-5-2-4(8)9;/h1-2H2,(H,6,7)(H,8,9);/q-1;+2/p-1/rC4H5CoNO4/c7-3(8)1-6-2-4(9)10-5-6/h1-2H2,(H,7,8)


name: Cobamamide
cas: 13870-90-1
formula: C72H100CoN18O17P
inchikey: ZIHHMGTYZOSFRC-CXGXMSGESA-L
norman_susdat_id: NS00093443
inchi:
InChI=1/C62H90N13O14P.C10H12N5O3.Co/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56;1-4-6(16)7(17)10(18-4)15-3-14-5-8(11)12-2-13-9(5)15;/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27H2,1-11H3,(H15,63,64,65,66,67,68,69,71,72,73,74,77,78,79,80,81,82,83,85,86);2-4,6-7,10,16-17H,1H2,(H2,11,12,13);/q;;+2/p-2/rC72H101CoN18O17P/c1-32-20-42-43(21-33(32)2)89(30-84-42)67-59(102)60(45(28-92)106-67)108-109(103,104)107-34(3)27-81-53(99)18-19-69(8)40(22-50(77)96)63-72(11)71(10,25-52(79)98)39(14-17-49(76)95)55(88-72)35(4)61-70(9,24-51(78)97)37(12-15-47(74)93)41(86-61)23-46-68(6,7)38(13-16-48(75)94)54(87-46)36(5)62(69)91(63)73-26-44-57(100)58(101)66(105-44)90-31-85-56-64(80)82-29-83-65(56)90/h20-21,23,29-31,34,37-40,44-45,57-60,63,66-67,92,100-102H,12-19,22,24-28H2,1-11H3,(H2,74,93)(H2,75,94)(H2,76,95)(H2,77,96)(H2,78,97)(H2,79,98)(H,81,99)(H,103,104)(H2,80,82,83)/q+1/p-1

smiles:
CC(CNC(=O)CCC1(C)C(CC(=O)N)C2N([Co+]C[C@H]3O[C@H]([C@H](O)[C@@H]3O)n4cnc5c(N)ncnc45)/C/1=C(/C)\C6=N\C(=C/C7=N\C(=C(\C)/C8=NC2(C)C(C)(CC(=O)N)C8CCC(=O)N)\C(C)(CC(=O)N)C7CCC(=O)N)\C(C)(C)C6CCC(=O)N)OP(=O)([O-])O[C@@H]9[C@@H](CO)O[C@@H]([C@@H]9O)n%10cnc%11cc(C)c(C)cc%10%11


name: N-Methyl-N-[(3-octadecyl-2-oxo-5-oxazolidinyl)methyl]perfluoro-1-octanesulfonamide
cas: 138704-55-9
dtxsid: DTXSID90893347
formula: C31H45F17N2O4S
inchikey: DPGFRDFZRZYXDD-UHFFFAOYSA-N
norman_susdat_id: NS00112050
inchi:
InChI=1/C31H45F17N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-50-21-22(54-23(50)51)20-49(2)55(52,53)31(47,48)29(42,43)27(38,39)25(34,35)24(32,33)26(36,37)28(40,41)30(44,45)46/h22H,3-21H2,1-2H3

smiles:
CCCCCCCCCCCCCCCCCCN1CC(CN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC1=O


name: Zopiclone
cas: 138729-47-2
chebiid: CHEBI:53762
dtxsid: DTXSID40160758
formula: C17H17ClN6O3
inchikey: GBBSUAFBMRNDJC-MRXNPFEDSA-N
norman_susdat_id: NS00099225
pubchem_cid: 941731
smiles: CN1CCN(C(=O)O[C@@H]2c3nccnc3C(=O)N2c2ccc(Cl)cn2)CC1
inchi:
InChI=1S/C17H17ClN6O3/c1-22-6-8-23(9-7-22)17(26)27-16-14-13(19-4-5-20-14)15(25)24(16)12-3-2-11(18)10-21-12/h2-5,10,16H,6-9H2,1H3/t16-/m1/s1


name: Dodec-2-enylsuccinic acid
cas: 13877-83-3
dtxsid: DTXSID90892057
formula: C16H28O4
inchikey: VAHSVKWHLFZJMH-UHFFFAOYSA-N
norman_susdat_id: NS00051504
pubchem_cid: 117168
smiles: O=C(O)CC(C(=O)O)CC=CCCCCCCCCC
inchi:
InChI=1/C16H28O4/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18/h10-11,14H,2-9,12-13H2,1H3,(H,17,18)(H,19,20)


cas: 138781-42-7
dtxsid: DTXSID30896418
formula: C15H7F17N2O
inchikey: PVSQZURXSZUUNT-UHFFFAOYSA-N
norman_susdat_id: NS00110109
smiles: Nc1cc(N)cc(OC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F)c1
name:
5-{[1,1,1,4,5,5,5-Heptafluoro-3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-4-(trifluoromethyl)pent-2-en-2-yl]oxy}benzene-1,3-diamine

inchi:
InChI=1S/C15H7F17N2O/c16-9(12(21,22)23,13(24,25)26)7(10(17,14(27,28)29)15(30,31)32)8(11(18,19)20)35-6-2-4(33)1-5(34)3-6/h1-3H,33-34H2


name: Pantoprazole sodium
cas: 138786-67-1
chebiid: CHEBI:50270
dtxsid: DTXSID7044215
formula: C16H14F2N3NaO4S
inchikey: YNWDKZIIWCEDEE-UHFFFAOYSA-N
norman_susdat_id: NS00076388
smiles: [Na+].COC1=C(OC)C(CS(=O)C2=NC3=C([N-]2)C=CC(OC(F)F)=C3)=NC=C1
inchi:
InChI=1/C16H14F2N3O4S.Na/c1-23-13-5-6-19-12(14(13)24-2)8-26(22)16-20-10-4-3-9(25-15(17)18)7-11(10)21-16;/h3-7,15H,8H2,1-2H3;/q-1;+1


name: 2-(4-Morpholino)ethyl-1-phenylcyclohexane-1-carboxylate
cas: 138847-85-5
chebiid: CHEBI:93007
chemspiderid: 112335
dtxsid: DTXSID40160819
formula: C19H27N1O3
inchikey: RQHKZUBCUZVZEF-UHFFFAOYSA-N
norman_susdat_id: NS00018418
pubchem_cid: 126402
smiles: C1CCC(CC1)(C2=CC=CC=C2)C(=O)OCCN3CCOCC3
inchi:
InChI=1S/C19H27NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2


name: 9-Phosphabicyclo[4.2.1]nonane, 9-eicosyl-
cas: 13886-99-2
chemspiderid: 104698
dtxsid: DTXSID50864452
formula: C28H55P1
inchikey: UNOOEFGBOLKBFW-UHFFFAOYSA-N
norman_susdat_id: NS00008658
pubchem_cid: 117170
smiles: CCCCCCCCCCCCCCCCCCCCP1C2CCC1CCCC2
inchi:
InChI=1S/C28H55P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-26-29-27-22-19-20-23-28(29)25-24-27/h27-28H,2-26H2,1H3


name: 9-icosyl-9-phosphabicyclo[3.3.1]nonane
cas: 13887-00-8
dtxsid: DTXSID2065672
formula: C28H55P
inchikey: QBUBJAXSVUKLBJ-UHFFFAOYSA-N
norman_susdat_id: NS00051505
pubchem_cid: 26322
smiles: P1(CCCCCCCCCCCCCCCCCCCC)C2CCCC1CCC2
inchi:
InChI=1/C28H55P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-29-27-22-20-23-28(29)25-21-24-27/h27-28H,2-26H2,1H3


cas: 138879-91-1
formula: C19H36O7
norman_susdat_id: NS00101407
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with methyl D-glucopyranoside (3:1), monododecanoate


name: Brinzolamide
cas: 138890-62-7
chebiid: CHEBI:3176
chemspiderid: 62077
dtxsid: DTXSID6045531
formula: C12H21N3O5S3
inchikey: HCRKCZRJWPKOAR-JTQLQIEISA-N
norman_susdat_id: NS00009895
pubchem_cid: 68844
smiles: CCN[C@H]1CN(CCCOC)S(=O)(=O)c2sc(cc12)S(N)(=O)=O
inchi:
InChI=1S/C12H21N3O5S3/c1-3-14-10-8-15(5-4-6-20-2)23(18,19)12-9(10)7-11(21-12)22(13,16)17/h7,10,14H,3-6,8H2,1-2H3,(H2,13,16,17)/t10-/m0/s1


name: Sodium octadecane-1-sulphonate
cas: 13893-34-0
dtxsid: DTXSID60884722
formula: C18H38O3S
inchikey: KBAFDSIZQYCDPK-UHFFFAOYSA-M
norman_susdat_id: NS00051880
pubchem_cid: 83799
smiles: [Na+].O=S(=O)([O-])CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C18H38O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(19,20)21;/h2-18H2,1H3,(H,19,20,21);/q;+1/p-1


name: Buparlisib
cas: 1389337-64-7
chebiid: CHEBI:71954
dtxsid: DTXSID50241486
formula: C18H21F3N6O2
inchikey: CWHUFRVAEUJCEF-UHFFFAOYSA-N
norman_susdat_id: NS00072516
pubchem_cid: 16654980
smiles: Nc1cc(C(F)(F)F)c(-c2cc(N3CCOCC3)nc(N3CCOCC3)n2)cn1
inchi:
InChI=1S/C18H21F3N6O2/c19-18(20,21)13-9-15(22)23-11-12(13)14-10-16(26-1-5-28-6-2-26)25-17(24-14)27-3-7-29-8-4-27/h9-11H,1-8H2,(H2,22,23)


name: 5-Methyl-2-[(phenylsulfonyl)amino]benzoic Acid
cas: 138964-56-4
formula: C14H13NO4S
inchikey: HXQLTRSIZRSFTR-UHFFFAOYSA-N
norman_susdat_id: NS00071208
pubchem_cid: 6102684
smiles: Cc1ccc(NS(=O)(=O)c2ccccc2)c(C(=O)O)c1
inchi:
InChI=1S/C14H13NO4S/c1-10-7-8-13(12(9-10)14(16)17)15-20(18,19)11-5-3-2-4-6-11/h2-9,15H,1H3,(H,16,17)


name: Benzoylpas
cas: 13898-58-3
chebiid: CHEBI:135059
chemspiderid: 10267
dtxsid: DTXSID8046406
formula: C14H11N1O4
inchikey: GNZCRYWFWKFIDM-UHFFFAOYSA-N
norman_susdat_id: NS00006995
pubchem_cid: 10718
smiles: OC(=O)c1ccc(NC(=O)c2ccccc2)cc1O
inchi:
InChI=1S/C14H11NO4/c16-12-8-10(6-7-11(12)14(18)19)15-13(17)9-4-2-1-3-5-9/h1-8,16H,(H,15,17)(H,18,19)


name: Ziprasidone hydrochloride [USAN:USP]
cas: 138982-67-9
chebiid: CHEBI:32314
dtxsid: DTXSID00160855
formula: C21H24Cl2N4O2S
inchikey: ZCBZSCBNOOIHFP-UHFFFAOYSA-N
norman_susdat_id: NS00076136
smiles: O.Cl.ClC1=C(CCN2CCN(CC2)C2=NSC3=CC=CC=C23)C=C2CC(=O)NC2=C1
inchi:
InChI=1S/C21H21ClN4OS.ClH.H2O/c22-17-13-18-15(12-20(27)23-18)11-14(17)5-6-25-7-9-26(10-8-25)21-16-3-1-2-4-19(16)28-24-21;;/h1-4,11,13H,5-10,12H2,(H,23,27);1H;1H2


name: Benzyldimethyldodecylammonium chloride (BDDAC)
cas: 139-07-1
chebiid: CHEBI:167208
dtxsid: DTXSID2040787
formula: C21H38ClN
inchikey: JBIROUFYLSSYDX-UHFFFAOYSA-M
norman_susdat_id: NS00075628
smiles: [Cl-].CCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1
inchi:
InChI=1S/C21H38N.ClH/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;/h13-15,17-18H,4-12,16,19-20H2,1-3H3;1H/q+1;/p-1


name: Tetradecyldimethylbenzylammonium chloride (BDTAC)
cas: 139-08-2
chemspiderid: 8426
dtxsid: DTXSID6036384
formula: C23H42N1
inchikey: WNBGYVXHFTYOBY-UHFFFAOYSA-N
norman_susdat_id: NS00005741
pubchem_cid: 8756
smiles: CCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
inchi:
InChI=1S/C23H42N/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23/h15-17,19-20H,4-14,18,21-22H2,1-3H3/q+1


name: Hydroxyaluminium di(acetate)
cas: 139-12-8
formula: C2H4O2.1/3Al
inchikey: HQQUTGFAWJNQIP-UHFFFAOYSA-K
norman_susdat_id: NS00079602
smiles: CC(=O)[O-].CC(=O)[O-].O[Al+2]
inchi:
InChI=1/2C2H4O2.Al.H2O/c2*1-2(3)4;;/h2*1H3,(H,3,4);;1H2/q;;+3;/p-3/r2C2H4O2.AlHO/c2*1-2(3)4;1-2/h2*1H3,(H,3,4);2H/q;;+2/p-2


name: Bismuth succinate
cas: 139-16-2
formula: C4H6O4.2/3Bi
inchikey: UIVZXOHXSVGJDZ-UHFFFAOYSA-H
norman_susdat_id: NS00079603
smiles: [BiH3+3].[BiH3+3].[O-]C(=O)CCC(=O)[O-].[O-]C(=O)CCC(=O)[O-].[O-]C(=O)CCC(=O)[O-]
inchi:
InChI=1/3C4H6O4.2Bi.6H/c3*5-3(6)1-2-4(7)8;;;;;;;;/h3*1-2H2,(H,5,6)(H,7,8);;;;;;;;/q;;;2*+3;;;;;;/p-6/r3C4H6O4.2BiH3/c3*5-3(6)1-2-4(7)8;;/h3*1-2H2,(H,5,6)(H,7,8);2*1H3/q;;;2*+3/p-6


name: 1,2,3-propanetriyl tris[12-(acetoxy)octadecanoate]
cas: 139-43-5
formula: C63H116O12
inchikey: FNOXLRARSOMOQK-UHFFFAOYSA-N
norman_susdat_id: NS00041631
pubchem_cid: 6451270
inchi:
InChI=1/C63H116O12/c1-7-10-13-34-43-57(72-54(4)64)46-37-28-22-16-19-25-31-40-49-61(67)70-52-60(75-63(69)51-42-33-27-21-18-24-30-39-48-59(74-56(6)66)45-36-15-12-9-3)53-71-62(68)50-41-32-26-20-17-23-29-38-47-58(73-55(5)65)44-35-14-11-8-2/h57-60H,7-53H2,1-6H3

smiles:
O=C(OC(CCCCCC)CCCCCCCCCCC(=O)OCC(OC(=O)CCCCCCCCCCC(OC(=O)C)CCCCCC)COC(=O)CCCCCCCCCCC(OC(=O)C)CCCCCC)C


name: 1,2,3-Propanetriyl tris(12-hydroxyoctadecanoate)
cas: 139-44-6
chemspiderid: 23447
dtxsid: DTXSID3051701
formula: C57H110O9
inchikey: WCOXQTXVACYMLM-UHFFFAOYSA-N
norman_susdat_id: NS00014172
pubchem_cid: 25100
smiles: CCCCCCC(O)CCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCC(O)CCCCCC)OC(=O)CCCCCCCCCCC(O)CCCCCC
inchi:
InChI=1S/C57H110O9/c1-4-7-10-31-40-51(58)43-34-25-19-13-16-22-28-37-46-55(61)64-49-54(66-57(63)48-39-30-24-18-15-21-27-36-45-53(60)42-33-12-9-6-3)50-65-56(62)47-38-29-23-17-14-20-26-35-44-52(59)41-32-11-8-5-2/h51-54,58-60H,4-50H2,1-3H3


name: Salazosulfamide
cas: 139-56-0
formula: C13H11N3O5S
inchikey: NBSRUZQXRUNPNY-UHFFFAOYSA-N
norman_susdat_id: NS00041624
pubchem_cid: 67316
smiles: O=C(O)C1=CC(N=NC2=CC=C(C=C2)S(=O)(=O)N)=CC=C1O
inchi:
InChI=1/C13H11N3O5S/c14-22(20,21)10-4-1-8(2-5-10)15-16-9-3-6-12(17)11(7-9)13(18)19/h1-7,17H,(H,18,19)(H2,14,20,21)


name: N,N'-Bis(5-methylheptan-3-yl)benzene-1,4-diamine
cas: 139-60-6
chemspiderid: 84955
dtxsid: DTXSID3051703
formula: C22H40N2
inchikey: JUHXTONDLXIGGK-UHFFFAOYSA-N
norman_susdat_id: NS00003649
pubchem_cid: 94138
smiles: CCC(C)CC(CC)Nc1ccc(NC(CC)CC(C)CC)cc1
inchi:
InChI=1S/C22H40N2/c1-7-17(5)15-19(9-3)23-21-11-13-22(14-12-21)24-20(10-4)16-18(6)8-2/h11-14,17-20,23-24H,7-10,15-16H2,1-6H3


name: Cyclomethycaine
cas: 139-62-8
chebiid: CHEBI:135520
chemspiderid: 10382
dtxsid: DTXSID8057643
formula: C22H33N1O3
inchikey: YLRNESBGEGGQBK-UHFFFAOYSA-N
norman_susdat_id: NS00005068
pubchem_cid: 10839
smiles: CC1CCCCN1CCCOC(=O)c1ccc(OC2CCCCC2)cc1
inchi:
InChI=1S/C22H33NO3/c1-18-8-5-6-15-23(18)16-7-17-25-22(24)19-11-13-21(14-12-19)26-20-9-3-2-4-10-20/h11-14,18,20H,2-10,15-17H2,1H3


name: Benzeneacetic acid, 3,7-dimethyl-6-octen-1-yl ester
cas: 139-70-8
chemspiderid: 8437
dtxsid: DTXSID90861804
formula: C18H26O2
inchikey: CVJBFMVLVJZZMM-UHFFFAOYSA-N
norman_susdat_id: NS00012119
pubchem_cid: 8767
smiles: CC(CCOC(=O)Cc1ccccc1)CCC=C(C)C
inchi:
InChI=1S/C18H26O2/c1-15(2)8-7-9-16(3)12-13-20-18(19)14-17-10-5-4-6-11-17/h4-6,8,10-11,16H,7,9,12-14H2,1-3H3


name: N-(3,4-Dimethoxyphenethyl)-2-(3,4-dimethoxyphenyl)acetamide
cas: 139-76-4
chemspiderid: 60649
dtxsid: DTXSID20160857
formula: C20H25N1O5
inchikey: KDIKNBJFJOYFNY-UHFFFAOYSA-N
norman_susdat_id: NS00024514
pubchem_cid: 67318
smiles: COc1c(OC)cc(CCNC(=O)Cc2cc(OC)c(OC)cc2)cc1
inchi:
InChI=1S/C20H25NO5/c1-23-16-7-5-14(11-18(16)25-3)9-10-21-20(22)13-15-6-8-17(24-2)19(12-15)26-4/h5-8,11-12H,9-10,13H2,1-4H3,(H,21,22)


name: 7-Ethyl-2-methyl-4-undecanolsulfate, sodium salt
cas: 139-88-8
chemspiderid: 8440
dtxsid: DTXSID3041530
formula: C14H30O4S1
inchikey: FVEFRICMTUKAML-UHFFFAOYNA-M
norman_susdat_id: NS00020476
pubchem_cid: NA
smiles: [Na+].CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-]
inchi:
InChI=1S/C14H30O4S/c1-5-7-8-13(6-2)9-10-14(11-12(3)4)18-19(15,16)17/h12-14H,5-11H2,1-4H3,(H,15,16,17)/t13-,14-/m0/s1


