# cl_id

cas: 18015-76-4
formula: -
inchikey: UJBITOVVNAWLNY-UHFFFAOYSA-L
norman_susdat_id: NS00085497
name:
Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, ethanedioate

inchi:
InChI=1/2C23H25N2.C2H2O4/c2*1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;3-1(4)2(5)6/h2*5-17H,1-4H3;(H,3,4)(H,5,6)/q2*+1;/p-2

smiles:
CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3.CN(C)c4ccc(cc4)C(=C5C=CC(=[N+](C)C)C=C5)c6ccccc6.[O-]C(=O)C(=O)[O-]


name: THJ 2201
cas: 1801552-01-1
chemspiderid: 30646749
formula: C23H21F1N2O1
inchikey: DULWRYKFTVFPTL-UHFFFAOYSA-N
norman_susdat_id: NS00017912
pubchem_cid: 91864533
smiles: C1=CC=C2C(=C1)C=CC=C2C(=O)C3=NN(C4=CC=CC=C43)CCCCCF
inchi:
InChI=1S/C23H21FN2O/c24-15-6-1-7-16-26-21-14-5-4-12-20(21)22(25-26)23(27)19-13-8-10-17-9-2-3-11-18(17)19/h2-5,8-14H,1,6-7,15-16H2


name: 5-Fluoro AMB
cas: 1801552-03-3
chemspiderid: 30646783
formula: C19H26F1N3O3
inchikey: SAFXSUZMRLTBMM-INIZCTEOSA-N
norman_susdat_id: NS00017545
pubchem_cid: 119025812
smiles: CC(C)C(C(=O)OC)NC(=O)C1=NN(C2=CC=CC=C21)CCCCCF
inchi:
InChI=1S/C19H26FN3O3/c1-13(2)16(19(25)26-3)21-18(24)17-14-9-5-6-10-15(14)23(22-17)12-8-4-7-11-20/h5-6,9-10,13,16H,4,7-8,11-12H2,1-3H3,(H,21,24)/t16-/m0/s1


name: Oleic acid, compound with N-(2-aminoethyl)ethane-1,2-diamine
cas: 18016-43-8
formula: C18H34O2.xC4H13N3
inchikey: PYBPYUAKCDQFCS-KVVVOXFISA-N
norman_susdat_id: NS00086234
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.NCCNCCN
inchi:
InChI=1/C18H34O2.C4H13N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;5-1-3-7-4-2-6/h9-10H,2-8,11-17H2,1H3,(H,19,20);7H,1-6H2


name: Lisuride
cas: 18016-80-3
chebiid: CHEBI:51164
chemspiderid: 26847
dtxsid: DTXSID3023217
formula: C20H26N4O1
inchikey: BKRGVLQUQGGVSM-KBXCAEBGSA-N
norman_susdat_id: NS00001952
pubchem_cid: 28864
smiles: CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
inchi:
InChI=1S/C20H26N4O/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25)/t14-,18+/m0/s1


name: Sodium 2,2,3,3,4,4,5,5,6,7,7,7-dodecafluoro-6-(trifluoromethyl)heptanoate
cas: 18017-22-6
dtxsid: DTXSID30896650
formula: C8F15NaO2
inchikey: BPXXAVYRMUUMMP-UHFFFAOYSA-M
norman_susdat_id: NS00110131
smiles: [Na+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C8HF15O2.Na/c9-2(10,1(24)25)4(12,13)6(16,17)5(14,15)3(11,7(18,19)20)8(21,22)23;/h(H,24,25);/q;+1/p-1


name: 10-Phenyldecanoic acid
cas: 18017-73-7
chemspiderid: 123752
dtxsid: DTXSID70170921
formula: C16H24O2
inchikey: IISIYJPTBDSIFM-UHFFFAOYSA-N
norman_susdat_id: NS00005146
pubchem_cid: 140324
smiles: OC(=O)CCCCCCCCCc1ccccc1
inchi:
InChI=1S/C16H24O2/c17-16(18)14-10-5-3-1-2-4-7-11-15-12-8-6-9-13-15/h6,8-9,12-13H,1-5,7,10-11,14H2,(H,17,18)


cas: 1801869-89-5
dtxsid: DTXSID40882741
norman_susdat_id: NS00110298
name:
Copolymer of 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl methacrylate / 1,7,7-trimethylbicyclo2.2.1heptan-2-yl methacrylate / 3-(trimethoxysilyl)propyl methacrylate / methyl methacrylate


name: Phytolaccagenin
cas: 1802-12-6
chemspiderid: 21594228
formula: C31H48O7
inchikey: CYJWWQALTIKOAG-FLORRLIPSA-N
norman_susdat_id: NS00093734
pubchem_cid: 10217463
smiles:
C[C@@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2C1)C)C(=O)O)C(=O)OC


name: Hexacosafluoro-13-(trifluoromethyl)myristic acid
cas: 18024-09-4
chemspiderid: 78848
dtxsid: DTXSID7066300
formula: C15H1F29O2
inchikey: FQAXLPZGSQABMD-UHFFFAOYSA-N
norman_susdat_id: NS00011274
pubchem_cid: 87411
inchi:
InChI=1S/C15HF29O2/c16-2(17,1(45)46)4(19,20)6(23,24)8(27,28)10(31,32)12(35,36)13(37,38)11(33,34)9(29,30)7(25,26)5(21,22)3(18,14(39,40)41)15(42,43)44/h(H,45,46)

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


name: 5-(3-(Dimethylamino)propyl)-5H-dibenzo(a,d)cyclohepten-5-ol
cas: 18029-54-4
chemspiderid: 78855
dtxsid: DTXSID30170942
formula: C20H23N1O1
inchikey: VMLRQKQUOMJJAN-UHFFFAOYSA-N
norman_susdat_id: NS00025934
pubchem_cid: 87418
smiles: CN(C)CCCC1(O)c2c(cccc2)C=Cc2c1cccc2
inchi:
InChI=1S/C20H23NO/c1-21(2)15-7-14-20(22)18-10-5-3-8-16(18)12-13-17-9-4-6-11-19(17)20/h3-6,8-13,22H,7,14-15H2,1-2H3


name: 1-(3-C-Ethynylpentofuranosyl)-4-imino-1,4-dihydropyrimidin-2-ol
cas: 180300-43-0
dtxsid: DTXSID30939319
formula: C11H13N3O5
inchikey: JFIWEPHGRUDAJN-DYUFWOLASA-N
norman_susdat_id: NS00069264
pubchem_cid: 176885
smiles: C#C[C@@]1(O)[C@@H](CO)O[C@@H](n2ccc(N)nc2=O)[C@@H]1O
inchi:
InChI=1S/C11H13N3O5/c1-2-11(18)6(5-15)19-9(8(11)16)14-4-3-7(12)13-10(14)17/h1,3-4,6,8-9,15-16,18H,5H2,(H2,12,13,17)/t6-,8+,9-,11-/m1/s1


name: Sodium m-[[4-[(4-hydroxy-m-tolyl)azo]-3-methoxyphenyl]azo]benzenesulphonate
cas: 18037-63-3
dtxsid: DTXSID2066303
formula: C20H18N4O5S
inchikey: QCSGCRNTKFFEPD-UHFFFAOYSA-M
norman_susdat_id: NS00051030
pubchem_cid: 87422
smiles: [Na+].O=S(=O)([O-])C=1C=CC=C(N=NC2=CC=C(N=NC3=CC=C(O)C(=C3)C)C(OC)=C2)C1
inchi:
InChI=1/C20H18N4O5S.Na/c1-13-10-15(7-9-19(13)25)23-24-18-8-6-16(12-20(18)29-2)22-21-14-4-3-5-17(11-14)30(26,27)28;/h3-12,25H,1-2H3,(H,26,27,28);/q;+1/p-1


name: 6,7-Dichloro-1,4-bis(2,4,6-trimethylanilino)anthraquinone
cas: 18038-98-7
chemspiderid: 78858
dtxsid: DTXSID00170954
formula: C32H28Cl2N2O2
inchikey: CJKCVIQDKUVJTL-UHFFFAOYSA-N
norman_susdat_id: NS00025935
pubchem_cid: 87423
smiles: Cc1cc(C)c(Nc2c3C(=O)c4c(cc(Cl)c(Cl)c4)C(=O)c3c(Nc3c(C)cc(C)cc3C)cc2)c(C)c1
inchi:
InChI=1S/C32H28Cl2N2O2/c1-15-9-17(3)29(18(4)10-15)35-25-7-8-26(36-30-19(5)11-16(2)12-20(30)6)28-27(25)31(37)21-13-23(33)24(34)14-22(21)32(28)38/h7-14,35-36H,1-6H3


name: 9,10-Anthracenedione, 1,4-bis[(2-bromo-4,6-dimethylphenyl)amino]-
cas: 18038-99-8
chemspiderid: 78859
dtxsid: DTXSID7066304
formula: C30H24Br2N2O2
inchikey: FKLIVBYKZWBUHT-UHFFFAOYSA-N
norman_susdat_id: NS00021770
pubchem_cid: 87424
smiles: Cc1cc(Br)c(Nc2c3C(=O)c4c(cccc4)C(=O)c3c(Nc3c(C)cc(C)cc3Br)cc2)c(C)c1
inchi:
InChI=1S/C30H24Br2N2O2/c1-15-11-17(3)27(21(31)13-15)33-23-9-10-24(34-28-18(4)12-16(2)14-22(28)32)26-25(23)29(35)19-7-5-6-8-20(19)30(26)36/h5-14,33-34H,1-4H3


name: Clazosentan
cas: 180384-56-9
dtxsid: DTXSID60170955
formula: C25H23N9O6S
inchikey: LFWCJABOXHSRGC-UHFFFAOYSA-N
norman_susdat_id: NS00069622
pubchem_cid: 6433095
smiles: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(-c2ccnc(-c3nnn[nH]3)c2)nc1OCCO
inchi:
InChI=1S/C25H23N9O6S/c1-15-7-8-20(27-14-15)41(36,37)32-24-21(40-19-6-4-3-5-18(19)38-2)25(39-12-11-35)29-22(28-24)16-9-10-26-17(13-16)23-30-33-34-31-23/h3-10,13-14,35H,11-12H2,1-2H3,(H,28,29,32)(H,30,31,33,34)


name: Tezosentan
cas: 180384-57-0
dtxsid: DTXSID20170956
formula: C27H27N9O6S
inchikey: TUYWTLTWNJOZNY-UHFFFAOYSA-N
norman_susdat_id: NS00069659
pubchem_cid: 151174
smiles: COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)C)cn2)nc(-c2ccnc(-c3nnn[nH]3)c2)nc1OCCO
inchi:
InChI=1S/C27H27N9O6S/c1-16(2)18-8-9-22(29-15-18)43(38,39)34-26-23(42-21-7-5-4-6-20(21)40-3)27(41-13-12-37)31-24(30-26)17-10-11-28-19(14-17)25-32-35-36-33-25/h4-11,14-16,37H,12-13H2,1-3H3,(H,30,31,34)(H,32,33,35,36)


name: Benzoic acid, 4-[2-[4-(5-methyl-2-benzoxazolyl)phenyl]ethenyl]-, methyl ester
cas: 18039-18-4
chemspiderid: 78154
dtxsid: DTXSID2066305
formula: C24H19N1O3
inchikey: QQKFUTGTZXPBGA-UHFFFAOYSA-N
norman_susdat_id: NS00021771
pubchem_cid: 86649
smiles: COC(=O)c1ccc(/C=C/c2ccc(cc2)c2nc3c(o2)ccc(C)c3)cc1
inchi:
InChI=1S/C24H19NO3/c1-16-3-14-22-21(15-16)25-23(28-22)19-10-6-17(7-11-19)4-5-18-8-12-20(13-9-18)24(26)27-2/h3-15H,1-2H3/b5-4+


name: Cyflufenamid
cas: 180409-60-3
chebiid: CHEBI:81797
chemspiderid: 8020254
dtxsid: DTXSID30431727
formula: C20H17F5N2O2
inchikey: ACMXQHFNODYQAT-UHFFFAOYSA-N
norman_susdat_id: NS00002257
pubchem_cid: 9844539
smiles: Fc1ccc(c(C(NOCC2CC2)=NC(=O)Cc2ccccc2)c1F)C(F)(F)F
inchi:
InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)


name: 17ß-hydroxy-2-(hydroxymethylene)-17-methylandrostan-3-one
cas: 18045-52-8
formula: C21H32O3
inchikey: ICMWWNHDUZJFDW-WRHLTIRBSA-N
norman_susdat_id: NS00087256
smiles: O=C3CC4CC[C@@H]2[C@H](CC[C@@]1(C)[C@H]2CC[C@]1(C)O)[C@@]4(C)CC3=CO
inchi:
InChI=1/C21H32O3/c1-19-11-13(12-22)18(23)10-14(19)4-5-15-16(19)6-8-20(2)17(15)7-9-21(20,3)24/h12,14-17,22,24H,4-11H2,1-3H3


name: Fentiazac
cas: 18046-21-4
chebiid: CHEBI:94523
chemspiderid: 26854
dtxsid: DTXSID8023050
formula: C17H12Cl1N1O2S1
inchikey: JIEKMACRVQTPRC-UHFFFAOYSA-N
norman_susdat_id: NS00025937
pubchem_cid: 28871
smiles: OC(=O)Cc1c(nc(s1)c1ccccc1)c1ccc(Cl)cc1
inchi:
InChI=1S/C17H12ClNO2S/c18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12/h1-9H,10H2,(H,20,21)


name: 5'-O-(triphenylmethyl)adenosine
cas: 18048-85-6
dtxsid: DTXSID10939337
formula: C29H27N5O4
inchikey: UKCBMOADKGIZCV-UHFFFAOYSA-N
norman_susdat_id: NS00054372
pubchem_cid: 225087
smiles: OC1C(O)C(OC1N2C=NC=3C(=NC=NC32)N)COC(C=4C=CC=CC4)(C=5C=CC=CC5)C=6C=CC=CC6
inchi:
InChI=1/C29H27N5O4/c30-26-23-27(32-17-31-26)34(18-33-23)28-25(36)24(35)22(38-28)16-37-29(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-15,17-18,22,24-25,28,35-36H,16H2,(H2,30,31,32)


name: Triethoxy[1,4,5,6,7,7-hexachloro-5-norbornen-2-yl]silane
cas: 18052-83-0
dtxsid: DTXSID30885004
formula: C13H18Cl6O3Si
inchikey: AMPGOMIFIUKMJG-UHFFFAOYSA-N
norman_susdat_id: NS00055293
pubchem_cid: 86650
smiles: ClC1=C(Cl)C2(Cl)C(CC1(Cl)C2(Cl)Cl)[Si](OCC)(OCC)OCC
inchi:
InChI=1/C13H18Cl6O3Si/c1-4-20-23(21-5-2,22-6-3)8-7-11(16)9(14)10(15)12(8,17)13(11,18)19/h8H,4-7H2,1-3H3


name: Fominoben
cas: 18053-31-1
chebiid: CHEBI:135639
chemspiderid: 3290
dtxsid: DTXSID1023075
formula: C21H24Cl1N3O3
inchikey: KSNNEUZOAFRTDS-UHFFFAOYSA-N
norman_susdat_id: NS00006644
pubchem_cid: 3407
smiles: CN(CC(=O)N1CCOCC1)Cc1c(Cl)cccc1NC(=O)c1ccccc1
inchi:
InChI=1S/C21H24ClN3O3/c1-24(15-20(26)25-10-12-28-13-11-25)14-17-18(22)8-5-9-19(17)23-21(27)16-6-3-2-4-7-16/h2-9H,10-15H2,1H3,(H,23,27)


name: N-[3-chloro-2-[[methyl[2-morpholino-2-oxoethyl]amino]methyl]phenyl]benzamide hydrochloride
cas: 18053-32-2
chebiid: CHEBI:31631
formula: C21H24ClN3O3.xClH
inchikey: ZAOHKACVOFGZOI-UHFFFAOYSA-N
norman_susdat_id: NS00086942
smiles: Cl.CN(CC(=O)N1CCOCC1)Cc2c(Cl)cccc2NC(=O)c3ccccc3
inchi:
InChI=1/C21H24ClN3O3.ClH/c1-24(15-20(26)25-10-12-28-13-11-25)14-17-18(22)8-5-9-19(17)23-21(27)16-6-3-2-4-7-16;/h2-9H,10-15H2,1H3,(H,23,27);1H


name: Verticinone
cas: 18059-10-4
chebiid: CHEBI:5886
chemspiderid: 167691
formula: C27H43NO3
inchikey: IQDIERHFZVCNRZ-YUYPDVIUSA-N
norman_susdat_id: NS00094275
pubchem_cid: 146697
smiles:
C[C@H]1CC[C@H]2[C@@]([C@H]3CC[C@@H]4[C@H]([C@@H]3CN2C1)C[C@H]5[C@H]4CC(=O)[C@@H]6[C@@]5(CC[C@@H](C6)O)C)(C)O


name: 5H-dibenzo[a,d]cyclohepten-5-one O-[2-(methylamino)ethyl]oxime monohydrochloride
cas: 18059-99-9
formula: C18H18N2O.ClH
inchikey: MZTHMUGFMPRTIK-UHFFFAOYSA-N
norman_susdat_id: NS00086977
smiles: Cl.CNCCON=C1c2ccccc2C=Cc3ccccc13
inchi:
InChI=1/C18H18N2O.ClH/c1-19-12-13-21-20-18-16-8-4-2-6-14(16)10-11-15-7-3-5-9-17(15)18;/h2-11,19H,12-13H2,1H3;1H


name: Oxazole, 2,2'-(1,4-phenylene)bis[5-phenyl-
cas: 1806-34-4
chebiid: CHEBI:52236
chemspiderid: 14960
dtxsid: DTXSID7061984
formula: C24H16N2O2
inchikey: MASVCBBIUQRUKL-UHFFFAOYSA-N
norman_susdat_id: NS00025942
pubchem_cid: 15732
smiles: o1c(cnc1c1ccc(cc1)c1ncc(o1)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C24H16N2O2/c1-3-7-17(8-4-1)21-15-25-23(27-21)19-11-13-20(14-12-19)24-26-16-22(28-24)18-9-5-2-6-10-18/h1-16H


name: Trioctyl phosphate
cas: 1806-54-8
chemspiderid: 14961
dtxsid: DTXSID6026246
formula: C24H51O4P1
inchikey: WVPGXJOLGGFBCR-UHFFFAOYSA-N
norman_susdat_id: NS00021772
pubchem_cid: 15733
smiles: CCCCCCCCOP(=O)(OCCCCCCCC)OCCCCCCCC
inchi:
InChI=1S/C24H51O4P/c1-4-7-10-13-16-19-22-26-29(25,27-23-20-17-14-11-8-5-2)28-24-21-18-15-12-9-6-3/h4-24H2,1-3H3


name: Estradiol 17beta-glucuronide
cas: 1806-98-0
chebiid: CHEBI:791
chemspiderid: 391381
dtxsid: DTXSID50862756
formula: C24H32O8
inchikey: MTKNDAQYHASLID-QXYWQCSFSA-N
norman_susdat_id: NS00015299
pubchem_cid: 5281887
smiles: CC12CCC3C(C1CCC2OC4C(C(C(C(O4)C(=O)O)O)O)O)CCC5=C3C=CC(=C5)O
inchi:
InChI=1S/C24H32O8/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/h3,5,10,14-21,23,25-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,17+,18+,19+,20-,21+,23-,24+/m1/s1


name: (R)-3-[(1-methylpyrrolidin-2-yl)methyl]-5-[2-(phenylsulfonyl)ethenyl]-1H-indole
cas: 180637-89-2
chemspiderid: 11360183
formula: C22H24N2O2S1
inchikey: MJICWWOZPCLNBP-UHFFFAOYSA-N
norman_susdat_id: NS00008121
pubchem_cid: 53400889
smiles: CN1CCCC1Cc1c[nH]c2ccc(C=CS(=O)(=O)c3ccccc3)cc12
inchi:
InChI=1S/C22H24N2O2S/c1-24-12-5-6-19(24)15-18-16-23-22-10-9-17(14-21(18)22)11-13-27(25,26)20-7-3-2-4-8-20/h2-4,7-11,13-14,16,19,23H,5-6,12,15H2,1H3


name: Ethyl N-salicyloylanthranilate
cas: 18066-04-1
chemspiderid: 78874
dtxsid: DTXSID50170989
formula: C16H15N1O4
inchikey: IFSMESGPJPDOED-UHFFFAOYSA-N
norman_susdat_id: NS00025943
pubchem_cid: 87440
smiles: CCOC(=O)c1c(NC(=O)c2c(O)cccc2)cccc1
inchi:
InChI=1S/C16H15NO4/c1-2-21-16(20)11-7-3-5-9-13(11)17-15(19)12-8-4-6-10-14(12)18/h3-10,18H,2H2,1H3,(H,17,19)


name: Estra-1,3,5(10)-triene-3,17ß-diol 17-butyrate
cas: 18069-79-9
dtxsid: DTXSID90939375
formula: C22H30O3
inchikey: XRKFWLKYSYKIKT-KOVVAJLHSA-N
norman_susdat_id: NS00054418
pubchem_cid: 66845
smiles: O=C(OC1CCC2C3CCC4=CC(O)=CC=C4C3CCC12C)CCC
inchi:
InChI=1/C22H30O3/c1-3-4-21(24)25-20-10-9-19-18-7-5-14-13-15(23)6-8-16(14)17(18)11-12-22(19,20)2/h6,8,13,17-20,23H,3-5,7,9-12H2,1-2H3


name: Mimopezil
cas: 180694-97-7
formula: C23H23ClN2O3
inchikey: UYRWZANUXPUEPQ-ALWBHENDSA-N
norman_susdat_id: NS00068372
smiles: C/C=C1[C@H]2C=C(C)C[C@]1(/N=C/c1cc(Cl)cc(OC)c1O)c1ccc(=O)[nH]c1C2
inchi:
InChI=1S/C23H23ClN2O3/c1-4-17-14-7-13(2)11-23(17,18-5-6-21(27)26-19(18)9-14)25-12-15-8-16(24)10-20(29-3)22(15)28/h4-8,10,12,14,28H,9,11H2,1-3H3,(H,26,27)/b17-4+,25-12+/t14-,23+/m0/s1


name: 11a,17ß-dihydroxy-17-methylandrost-4-en-3-one
cas: 1807-02-9
chebiid: CHEBI:34138
formula: C20H30O3
inchikey: UBIBSXMTVJAYTQ-QMNUTNMBSA-N
norman_susdat_id: NS00082458
smiles: C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](O)C[C@]12C
inchi:
InChI=1/C20H30O3/c1-18-8-6-13(21)10-12(18)4-5-14-15-7-9-20(3,23)19(15,2)11-16(22)17(14)18/h10,14-17,22-23H,4-9,11H2,1-3H3


name: 17,21-dihydroxypregn-4-ene-3,20-dione 17,21-di(acetate)
cas: 1807-15-4
formula: C25H34O6
inchikey: IASNEQDWRXBECK-IHKKISOYSA-N
norman_susdat_id: NS00047883
pubchem_cid: 102165
smiles: O=C(OCC(=O)C1(OC(=O)C)CCC2C3CCC4=CC(=O)CCC4(C)C3CCC21C)C
inchi:
InChI=1/C25H34O6/c1-15(26)30-14-22(29)25(31-16(2)27)12-9-21-19-6-5-17-13-18(28)7-10-23(17,3)20(19)8-11-24(21,25)4/h13,19-21H,5-12,14H2,1-4H3


name: Phenol, 2,4-dioctyl-
cas: 1807-29-0
chemspiderid: 67128
dtxsid: DTXSID2061985
formula: C22H38O1
inchikey: RLMZELPHRPTNJX-UHFFFAOYSA-N
norman_susdat_id: NS00025947
pubchem_cid: 74548
smiles: CCCCCCCCc1ccc(O)c(CCCCCCCC)c1
inchi:
InChI=1S/C22H38O/c1-3-5-7-9-11-13-15-20-17-18-22(23)21(19-20)16-14-12-10-8-6-4-2/h17-19,23H,3-16H2,1-2H3


name: 1-Piperidineethanol, 4,4'-(1,3-propanediyl)bis-
cas: 18073-84-2
chemspiderid: 78879
dtxsid: DTXSID2066307
formula: C17H34N2O2
inchikey: VSSGEWPIFHKREK-UHFFFAOYSA-N
norman_susdat_id: NS00025949
pubchem_cid: 87445
smiles: OCCN1CCC(CCCC2CCN(CCO)CC2)CC1
inchi:
InChI=1S/C17H34N2O2/c20-14-12-18-8-4-16(5-9-18)2-1-3-17-6-10-19(11-7-17)13-15-21/h16-17,20-21H,1-15H2


name: 6-(Nonafluorobutyl)-2-phenylpyrimidin-4(3H)-one
cas: 180748-44-1
dtxsid: DTXSID30896190
formula: C14H7F9N2O
inchikey: KCZXOUCOUNFADI-UHFFFAOYSA-N
norman_susdat_id: NS00110086
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=CC(=O)NC(=N1)c1ccccc1
inchi:
InChI=1S/C14H7F9N2O/c15-11(16,12(17,18)13(19,20)14(21,22)23)8-6-9(26)25-10(24-8)7-4-2-1-3-5-7/h1-6H,(H,24,25,26)


name: 1-Octanesulfonic acid, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-, barium salt (2:1)
cas: 1807944-82-6
dtxsid: DTXSID40891136
formula: C16H8BaF26O6S2
inchikey: LSLFIFGVAIGMMD-UHFFFAOYSA-L
norman_susdat_id: NS00110328
inchi:
InChI=1S/2C8H5F13O3S.Ba/c2*9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;/h2*1-2H2,(H,22,23,24);/q;;+2/p-2

smiles:
[Ba++].[O-]S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[O-]S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: 2-[(4-bromophenyl)phenylmethoxy]ethyl(dimethyl)ammonium chloride
cas: 1808-12-4
chebiid: CHEBI:59178
formula: C17H20BrNO.ClH
inchikey: ZQDJSWUEGOYDGT-UHFFFAOYSA-N
norman_susdat_id: NS00082892
smiles: [Cl-].C[NH+](C)CCOC(c1ccccc1)c2ccc(Br)cc2
inchi:
InChI=1/C17H20BrNO.ClH/c1-19(2)12-13-20-17(14-6-4-3-5-7-14)15-8-10-16(18)11-9-15;/h3-11,17H,12-13H2,1-2H3;1H


name: ETHYL ARACHIDONATE
cas: 1808-26-0
chebiid: CHEBI:84873
chemspiderid: 4518882
formula: C22H36O2
inchikey: SNXPWYFWAZVIAU-GKFVBPDJSA-N
norman_susdat_id: NS00013657
pubchem_cid: 5367369
smiles: CCCCCC=C/C/C=CCC=C/C/C=CCCCC(=O)OCC
inchi:
InChI=1S/C22H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h8-9,11-12,14-15,17-18H,3-7,10,13,16,19-21H2,1-2H3/b9-8-,12-11-,15-14-,18-17-


name: 3ß-hydroxy-16-methylpregna-5,16-dien-20-one
cas: 1808-63-5
dtxsid: DTXSID40939385
formula: C22H32O2
inchikey: WYOKDIKHIXWWOC-LXIBVNSESA-N
norman_susdat_id: NS00047923
pubchem_cid: 102166
smiles: O=C(C1=C(C)CC2C3CC=C4CC(O)CCC4(C)C3CCC12C)C
inchi:
InChI=1/C22H32O2/c1-13-11-19-17-6-5-15-12-16(24)7-9-21(15,3)18(17)8-10-22(19,4)20(13)14(2)23/h5,16-19,24H,6-12H2,1-4H3


name: 1-methyl-4-[3,3,3-tris(4-chlorophenyl)propionyl]piperazinium chloride
cas: 18-08-0
formula: C26H25Cl3N2O.ClH
inchikey: WAHLMMKQTIGONH-UHFFFAOYSA-N
norman_susdat_id: NS00081415
smiles: [Cl-].C[NH+]1CCN(CC1)C(=O)CC(c2ccc(Cl)cc2)(c3ccc(Cl)cc3)c4ccc(Cl)cc4
inchi:
InChI=1/C26H25Cl3N2O.ClH/c1-30-14-16-31(17-15-30)25(32)18-26(19-2-8-22(27)9-3-19,20-4-10-23(28)11-5-20)21-6-12-24(29)13-7-21;/h2-13H,14-18H2,1H3;1H


name: Sodium tetracosanoate
cas: 18080-73-4
formula: C24H48O2.Na
inchikey: ROYMYVICTPBXGZ-UHFFFAOYSA-M
norman_susdat_id: NS00087302
smiles: [Na+].CCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C24H48O2.Na/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)26;/h2-23H2,1H3,(H,25,26);/q;+1/p-1


name: Potassium icosanoate
cas: 18080-76-7
formula: C20H40O2.K
inchikey: JFZDUSDRGGZYDF-UHFFFAOYSA-M
norman_susdat_id: NS00086978
smiles: [K+].CCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C20H40O2.K/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: Lasofoxifene
cas: 180916-16-9
chebiid: CHEBI:135938
chemspiderid: 187585
dtxsid: DTXSID50171037
formula: C28H31N1O2
inchikey: GXESHMAMLJKROZ-IAPPQJPRSA-N
norman_susdat_id: NS00007417
pubchem_cid: 216416
smiles: Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1
inchi:
InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1


name: Phosphoric trichloride, reaction products with bisphenol A and phenol
cas: 181028-79-5
chemspiderid: 9244287
dtxsid: DTXSID80107228
formula: C15H18O8P2
inchikey: LAUIXFSZFKWUCT-UHFFFAOYSA-N
norman_susdat_id: NS00019787
pubchem_cid: 11069135
smiles: OP(O)(=O)Oc1ccc(cc1)C(C)(C)c2ccc(OP(O)(=O)O)cc2
inchi:
InChI=1S/C15H18O8P2/c1-15(2,11-3-7-13(8-4-11)22-24(16,17)18)12-5-9-14(10-6-12)23-25(19,20)21/h3-10H,1-2H3,(H2,16,17,18)(H2,19,20,21)


name: 5,7-Dihydroxy-2-(3,4,5-trimethoxyphenyl)-4-benzopyrone
cas: 18103-42-9
chebiid: CHEBI:543745
chemspiderid: 4527900
dtxsid: DTXSID70171059
formula: C18H16O7
inchikey: CPCPHNWWTJLXKQ-UHFFFAOYSA-N
norman_susdat_id: NS00025961
pubchem_cid: 5379265
smiles: COc1cc(cc(OC)c1OC)c1cc(=O)c2c(o1)cc(O)cc2O
inchi:
InChI=1S/C18H16O7/c1-22-15-4-9(5-16(23-2)18(15)24-3)13-8-12(21)17-11(20)6-10(19)7-14(17)25-13/h4-8,19-20H,1-3H3


name: 7-Methyl-2-phenylquinoline-4-carboxylic acid
cas: 181048-54-4
chemspiderid: 540342
formula: C17H13N1O2
inchikey: FTDDWOPSQXABQF-UHFFFAOYSA-N
norman_susdat_id: NS00016401
pubchem_cid: 621870
smiles: CC1=CC2=C(C=C1)C(=CC(=N2)C3=CC=CC=C3)C(=O)O
inchi:
InChI=1S/C17H13NO2/c1-11-7-8-13-14(17(19)20)10-15(18-16(13)9-11)12-5-3-2-4-6-12/h2-10H,1H3,(H,19,20)


name: Magnesium 8-(phenylamino)naphthalene-1-sulphonate
cas: 18108-68-4
formula: C16H13NO3S.1/2Mg
inchikey: IRKGXNAZPUOEMW-UHFFFAOYSA-L
norman_susdat_id: NS00087002
smiles: [Mg+2].[O-]S(=O)(=O)c1cccc2cccc(Nc3ccccc3)c12.[O-]S(=O)(=O)c4cccc5cccc(Nc6ccccc6)c45
inchi:
InChI=1/2C16H13NO3S.Mg/c2*18-21(19,20)15-11-5-7-12-6-4-10-14(16(12)15)17-13-8-2-1-3-9-13;/h2*1-11,17H,(H,18,19,20);/q;;+2/p-2


name: Butamirate
cas: 18109-80-3
chebiid: CHEBI:135310
chemspiderid: 26873
dtxsid: DTXSID7048403
formula: C18H29N1O3
inchikey: DDVUMDPCZWBYRA-UHFFFAOYSA-N
norman_susdat_id: NS00009559
pubchem_cid: 28892
smiles: CCC(C(=O)OCCOCCN(CC)CC)c1ccccc1
inchi:
InChI=1S/C18H29NO3/c1-4-17(16-10-8-7-9-11-16)18(20)22-15-14-21-13-12-19(5-2)6-3/h7-11,17H,4-6,12-15H2,1-3H3


name: Diethyl[2-[2-(2-phenylbutyroyloxy)ethoxy]ethyl]ammonium dihydrogen citrate
cas: 18109-81-4
formula: C18H29NO3.C6H8O7
inchikey: JVKMHUAWFDGPTF-UHFFFAOYSA-L
norman_susdat_id: NS00087839
smiles: CCC(C(=O)OCCOCC[NH+](CC)CC)c1ccccc1.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C18H29NO3.C6H8O7/c1-4-17(16-10-8-7-9-11-16)18(20)22-15-14-21-13-12-19(5-2)6-3;7-3(8)1-6(13,5(11)12)2-4(9)10/h7-11,17H,4-6,12-15H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2


name: 2'-(o-chloro-a-piperidinobenzylidene)hexadecane-1-sulphohydrazide
cas: 18118-66-6
formula: C28H48ClN3O2S
inchikey: BRRMAQWVYIJRQU-UHFFFAOYSA-N
norman_susdat_id: NS00054000
pubchem_cid: 86657
smiles: O=S(=O)(NN=C(C=1C=CC=CC1Cl)N2CCCCC2)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C28H48ClN3O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-35(33,34)31-30-28(32-23-18-15-19-24-32)26-21-16-17-22-27(26)29/h16-17,21-22,31H,2-15,18-20,23-25H2,1H3


name: Dihexadecyldimethylammonium chloride
cas: 1812-53-9
formula: C34H72N.Cl
inchikey: ZCPCLAPUXMZUCD-UHFFFAOYSA-M
norman_susdat_id: NS00081971
smiles: [Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C34H72N.ClH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(3,4)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h5-34H2,1-4H3;1H/q+1;/p-1


name: Benzenesulfonyl chloride, 4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]-
cas: 18122-67-3
chemspiderid: 78125
dtxsid: DTXSID6066313
formula: C20H12Cl1N1O6S1
inchikey: XKXXASMSIPLSHL-UHFFFAOYSA-N
norman_susdat_id: NS00025964
pubchem_cid: 87461
smiles: Nc1c(Oc2ccc(cc2)S(=O)(=O)Cl)cc(O)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C20H12ClNO6S/c21-29(26,27)11-7-5-10(6-8-11)28-15-9-14(23)16-17(18(15)22)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,23H,22H2


name: 3-(2-hydroxy-1-phenylethyl)-2-iminothiazolidine toluene-p-sulphonate
cas: 18126-02-8
dtxsid: DTXSID50939417
formula: C11H14N2OS
inchikey: DFWJDDKMXSBZTD-UHFFFAOYSA-N
norman_susdat_id: NS00054419
pubchem_cid: NA
smiles: O=S(=O)(O)C1=CC=C(C=C1)C.N=C1SCCN1C(C=2C=CC=CC2)CO
inchi:
InChI=1/C11H14N2OS.C7H8O3S/c12-11-13(6-7-15-11)10(8-14)9-4-2-1-3-5-9;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,10,12,14H,6-8H2;2-5H,1H3,(H,8,9,10)


name: Niflumic acid met 24 -378
cas: 181271-32-9
chemspiderid: NA
formula: C13H9F3N2O6S1
inchikey: HUGOLGVZLKEEBL-UHFFFAOYSA-N
norman_susdat_id: NS00000843
pubchem_cid: NA
smiles: FC(F)(c1cc(Nc2ncccc2C(O)=O)cc(OS(=O)(O)=O)c1)F
inchi:
InChI=1S/C13H9F3N2O6S/c14-13(15,16)7-4-8(6-9(5-7)24-25(21,22)23)18-11-10(12(19)20)2-1-3-17-11/h1-6H,(H,17,18)(H,19,20)(H,21,22,23)


name: Propoxycarbazone-sodium
cas: 181274-15-7
dtxsid: DTXSID9034864
formula: C15H17N4NaO7S
inchikey: JRQGDDUXDKCWRF-UHFFFAOYSA-M
norman_susdat_id: NS00096375
smiles: [Na+].CCCOC1=NN(C(=O)[N-]S(=O)(=O)C2=C(C=CC=C2)C(=O)OC)C(=O)N1C
inchi:
InChI=1S/C15H18N4O7S.Na/c1-4-9-26-14-16-19(15(22)18(14)2)13(21)17-27(23,24)11-8-6-5-7-10(11)12(20)25-3;/h5-8H,4,9H2,1-3H3,(H,17,21);/q;+1/p-1


name: Flucarbazone-sodium
cas: 181274-17-9
chebiid: CHEBI:82010
chemspiderid: 7863505
dtxsid: DTXSID3034614
formula: C12H11F3N4O6S1
inchikey: UOUXAYAIONPXDH-UHFFFAOYSA-M
norman_susdat_id: NS00021045
pubchem_cid: NA
smiles: [Na+].COc1nn(C(=O)NS(=O)(=O)c2c(OC(F)(F)F)cccc2)c(=O)n1C
inchi:
InChI=1S/C12H11F3N4O6S/c1-18-10(24-2)16-19(11(18)21)9(20)17-26(22,23)8-6-4-3-5-7(8)25-12(13,14)15/h3-6H,1-2H3,(H,17,20)


name: (4-Hydroxy-2-imino-1,2-dihydropteridin-6-yl)methyl trihydrogen diphosphate
cas: 1812-85-6
dtxsid: DTXSID90988308
formula: C7H9N5O8P2
inchikey: AMDUVUKDRBIVAH-UHFFFAOYSA-N
norman_susdat_id: NS00070730
smiles: Nc1nc2ncc(CO[P@@](=O)(O)OP(=O)(O)O)nc2c(=O)[nH]1
inchi:
InChI=1S/C7H9N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1H,2H2,(H,17,18)(H2,14,15,16)(H3,8,9,11,12,13)


name: Omigapil
cas: 181296-84-4
chebiid: CHEBI:41778
dtxsid: DTXSID10171098
formula: C19H17NO
inchikey: QLMMOGWZCFQAPU-UHFFFAOYSA-N
norman_susdat_id: NS00072020
pubchem_cid: 6419718
smiles: C#CCN(C)CC1=Cc2ccccc2Oc2ccccc21
inchi:
InChI=1S/C19H17NO/c1-3-12-20(2)14-16-13-15-8-4-6-10-18(15)21-19-11-7-5-9-17(16)19/h1,4-11,13H,12,14H2,2H3


name: 1-Piperidinepropanenitrile, 4,4'-(1,3-propanediyl)bis-
cas: 18136-00-0
chemspiderid: 78898
dtxsid: DTXSID6066315
formula: C19H32N4
inchikey: CUFGCSGPBRYOBH-UHFFFAOYSA-N
norman_susdat_id: NS00025968
pubchem_cid: 87465
smiles: N#CCCN1CCC(CCCC2CCN(CCC#N)CC2)CC1
inchi:
InChI=1S/C19H32N4/c20-10-2-12-22-14-6-18(7-15-22)4-1-5-19-8-16-23(17-9-19)13-3-11-21/h18-19H,1-9,12-17H2


name: N,N'-bis(Perfluorobutanoyl)1,5-pentanediamine
cas: 1814-80-8
dtxsid: DTXSID30897021
formula: C13H12F14N2O2
inchikey: HSZXWSFEBIXCLM-UHFFFAOYSA-N
norman_susdat_id: NS00110146
smiles: FC(F)(F)C(F)(F)C(F)(F)C(=O)NCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C13H12F14N2O2/c14-8(15,10(18,19)12(22,23)24)6(30)28-4-2-1-3-5-29-7(31)9(16,17)11(20,21)13(25,26)27/h1-5H2,(H,28,30)(H,29,31)


name: Ethiprole
cas: 181587-01-9
chebiid: CHEBI:81827
chemspiderid: 8106298
dtxsid: DTXSID6058003
formula: C13H9Cl2F3N4O1S1
inchikey: FNELVJVBIYMIMC-UHFFFAOYSA-N
norman_susdat_id: NS00006009
pubchem_cid: 9930667
smiles: CCS(=O)c1c(N)n(nc1C#N)-c1c(Cl)cc(cc1Cl)C(F)(F)F
inchi:
InChI=1S/C13H9Cl2F3N4OS/c1-2-24(23)11-9(5-19)21-22(12(11)20)10-7(14)3-6(4-8(10)15)13(16,17)18/h3-4H,2,20H2,1H3


name: Valdecoxib
cas: 181695-72-7
chebiid: CHEBI:63634
chemspiderid: 106796
dtxsid: DTXSID6044226
formula: C16H14N2O3S1
inchikey: LNPDTQAFDNKSHK-UHFFFAOYSA-N
norman_susdat_id: NS00009831
pubchem_cid: 119607
smiles: Cc1onc(c1-c1ccc(cc1)S(N)(=O)=O)-c1ccccc1
inchi:
InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)


name: 2,6-Bis(1-phenylethyl)-4-methylphenol
cas: 1817-68-1
chemspiderid: 14978
dtxsid: DTXSID0051813
formula: C23H24O1
inchikey: QFCGHEBLSUPGPF-UHFFFAOYNA-N
norman_susdat_id: NS00021777
pubchem_cid: NA
smiles: CC(c1ccccc1)c1cc(C)cc(C(C)c2ccccc2)c1O
inchi:
InChI=1S/C23H24O/c1-16-14-21(17(2)19-10-6-4-7-11-19)23(24)22(15-16)18(3)20-12-8-5-9-13-20/h4-15,17-18,24H,1-3H3/t17-,18-/m1/s1


name: Cyclopiazonic acid
cas: 18172-33-3
chemspiderid: 10140126
dtxsid: DTXSID00891798
formula: C20H20N2O3
inchikey: SZINUGQCTHLQAZ-UHFFFAOYSA-N
norman_susdat_id: NS00018336
pubchem_cid: 54675761
smiles: CC(=O)C1=C(C2C3C(CC4=C5C3=CNC5=CC=C4)C(N2C1=O)(C)C)O
inchi:
InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,16-17,21,24H,7H2,1-3H3


name: Potassium (Z)-hexadec-9-enoate
cas: 18175-44-5
formula: C16H30O2.K
inchikey: MHUCSRUPTZFQQD-CFYXSCKTSA-M
norman_susdat_id: NS00087335
smiles: [K+].CCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/C16H30O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h7-8H,2-6,9-15H2,1H3,(H,17,18);/q;+1/p-1


name: Potassium (Z)-docos-13-enoate
cas: 18175-47-8
formula: C22H42O2.K
inchikey: JEXMXRICZKBURS-KVVVOXFISA-M
norman_susdat_id: NS00087036
smiles: [K+].CCCCCCCC\C=C/CCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C22H42O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h9-10H,2-8,11-21H2,1H3,(H,23,24);/q;+1/p-1


cas: 181765-99-1
dtxsid: DTXSID10895464
formula: C18H4F34
inchikey: KKJPHRCNXGNPOP-UHFFFAOYSA-N
norman_susdat_id: NS00109342
name:
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-Tetratriacontafluorooctadecane

inchi:
InChI=1S/C18H4F34/c19-3(20,5(23,24)7(27,28)9(31,32)11(35,36)13(39,40)15(43,44)17(47,48)49)1-2-4(21,22)6(25,26)8(29,30)10(33,34)12(37,38)14(41,42)16(45,46)18(50,51)52/h1-2H2

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)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


name: 2-[6-(2,2-dicyanovinyl)-1,2,3,4-tetrahydro-2,2,4,7-tetramethylquinolin-1-yl]ethyl carbanilate
cas: 18178-47-7
dtxsid: DTXSID00885016
formula: C26H28N4O2
inchikey: MBGQLEMLPRDFQM-UHFFFAOYSA-N
norman_susdat_id: NS00054510
pubchem_cid: 86672
smiles: N#CC(C#N)=CC1=CC2=C(C=C1C)N(CCOC(=O)NC=3C=CC=CC3)C(C)(C)CC2C
inchi:
InChI=1/C26H28N4O2/c1-18-12-24-23(14-21(18)13-20(16-27)17-28)19(2)15-26(3,4)30(24)10-11-32-25(31)29-22-8-6-5-7-9-22/h5-9,12-14,19H,10-11,15H2,1-4H3,(H,29,31)


name: Elvucitabine
cas: 181785-84-2
dtxsid: DTXSID20171185
formula: C9H10FN3O3
inchikey: HSBKFSPNDWWPSL-VDTYLAMSSA-N
norman_susdat_id: NS00068127
pubchem_cid: 469717
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+/m1/s1


name: Consolidine
cas: 181798-46-9
chemspiderid: 101712484
formula: C25H41NO7
inchikey: PABNTGUVPKRNRM-JOPURWDVSA-N
norman_susdat_id: NS00094358
smiles:
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)OC)O)O)O)COC


name: Crotonoside
cas: 1818-71-9
chebiid: CHEBI:3927
chemspiderid: 58595
formula: C10H13N5O5
inchikey: MIKUYHXYGGJMLM-UUOKFMHZSA-N
norman_susdat_id: NS00066984
pubchem_cid: 65085
smiles: NC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC(O)=N1
inchi:
InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1


name: Bromopropylate
cas: 18181-80-1
chemspiderid: 26916
dtxsid: DTXSID1034397
formula: C17H16Br2O3
inchikey: FOANIXZHAMJWOI-UHFFFAOYSA-N
norman_susdat_id: NS00004515
pubchem_cid: 28936
smiles: CC(C)OC(=O)C(O)(c1ccc(Br)cc1)c1ccc(Br)cc1
eea_notation: CAS_18181-80-1
inchi:
InChI=1S/C17H16Br2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3


name: Ac-7700
cas: 181816-48-8
formula: C21H26N2O6
inchikey: IXWNTLSTOZFSCM-YVACAVLKSA-N
norman_susdat_id: NS00068767
pubchem_cid: 6918405
smiles: COc1ccc(/C=Cc2cc(OC)c(OC)c(OC)c2)cc1NC(=O)[C@@H](N)CO
inchi:
InChI=1S/C21H26N2O6/c1-26-17-8-7-13(9-16(17)23-21(25)15(22)12-24)5-6-14-10-18(27-2)20(29-4)19(11-14)28-3/h5-11,15,24H,12,22H2,1-4H3,(H,23,25)/b6-5-/t15-/m0/s1


name: Benzoic acid, 2-amino-, decyl ester
cas: 18189-07-6
chemspiderid: 78934
dtxsid: DTXSID9066336
formula: C17H27N1O2
inchikey: NMXZJPNAJUDMAC-UHFFFAOYSA-N
norman_susdat_id: NS00012202
pubchem_cid: 87501
smiles: CCCCCCCCCCOC(=O)c1ccccc1N
inchi:
InChI=1S/C17H27NO2/c1-2-3-4-5-6-7-8-11-14-20-17(19)15-12-9-10-13-16(15)18/h9-10,12-13H,2-8,11,14,18H2,1H3


name: Triethyl[2-lauroylethyl]ammonium ethyl sulphate
cas: 18190-21-1
dtxsid: DTXSID30171217
formula: C20H42NO
inchikey: PNEFFXICHHBYER-UHFFFAOYSA-M
norman_susdat_id: NS00054597
pubchem_cid: 3015014
smiles: O=C(CCCCCCCCCCC)CC[N+](CC)(CC)CC.O=S(=O)([O-])OCC
inchi:
InChI=1/C20H42NO.C2H6O4S/c1-5-9-10-11-12-13-14-15-16-17-20(22)18-19-21(6-2,7-3)8-4;1-2-6-7(3,4)5/h5-19H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: (Z)-N-(2-hydroxyethyl)docos-13-enamide
cas: 18190-74-4
chebiid: CHEBI:165584
formula: C24H47NO2
inchikey: UGYSMGXRWBTMRZ-KTKRTIGZSA-N
norman_susdat_id: NS00054111
pubchem_cid: 6436482
smiles: O=C(NCCO)CCCCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C24H47NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24(27)25-22-23-26/h9-10,26H,2-8,11-23H2,1H3,(H,25,27)


name: Pc(28:0)
cas: 18194-24-6
dtxsid: DTXSID00860227
formula: C36H73NO8P
inchikey: CITHEXJVPOWHKC-UUWRZZSWSA-O
norman_susdat_id: NS00071718
pubchem_cid: 5313082
smiles: CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
inchi:
InChI=1S/C36H72NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-35(38)42-32-34(33-44-46(40,41)43-31-30-37(3,4)5)45-36(39)29-27-25-23-21-19-17-15-13-11-9-7-2/h34H,6-33H2,1-5H3/p+1/t34-/m1/s1


name: 3,4,5-Trifluorophenyl 4'-ethyl[1,1'-bi(cyclohexane)]-4-carboxylate
cas: 181943-55-5
chemspiderid: 23350150
dtxsid: DTXSID30705233
formula: C21H27F3O2
inchikey: JRVLFALUMBSZRJ-UHFFFAOYSA-N
norman_susdat_id: NS00025986
pubchem_cid: 53487081
smiles: CCC1CCC(CC1)C1CCC(CC1)C(=O)OC1=CC(F)=C(F)C(F)=C1
inchi:
InChI=1S/C21H27F3O2/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)21(25)26-17-11-18(22)20(24)19(23)12-17/h11-16H,2-10H2,1H3/t13-,14-,15-,16-


name: Brilliant Green cation
cas: 18198-35-1
chebiid: CHEBI:88176
chemspiderid: 11942
dtxsid: DTXSID40171223
formula: C27H33N2
inchikey: HXCILVUBKWANLN-UHFFFAOYSA-N
norman_susdat_id: NS00017221
pubchem_cid: 12450
smiles: CCN(CC)C1=CC=C(C=C1)C(=C2C=CC(=[N+](CC)CC)C=C2)C3=CC=CC=C3
inchi:
InChI=1S/C27H33N2/c1-5-28(6-2)25-18-14-23(15-19-25)27(22-12-10-9-11-13-22)24-16-20-26(21-17-24)29(7-3)8-4/h9-21H,5-8H2,1-4H3/q+1


name: Tetraphenylphosphonium
cas: 18198-39-5
chebiid: CHEBI:44880
chemspiderid: 144578
dtxsid: DTXSID00171224
formula: C24H20P1
inchikey: USFPINLPPFWTJW-UHFFFAOYSA-N
norman_susdat_id: NS00040982
pubchem_cid: 164912
smiles: c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C24H20P/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H/q+1


name: 1-Octanamine, 7-methyl-N,N-bis(7-methyloctyl)-
cas: 18198-40-8
chemspiderid: NA
dtxsid: DTXSID4066337
formula: C27H57N1
inchikey: YGLJGOMFUHQSBN-UHFFFAOYSA-N
norman_susdat_id: NS00025987
pubchem_cid: 87508
smiles: CC(C)CCCCCCN(CCCCCCC(C)C)CCCCCCC(C)C
inchi:
InChI=1S/C27H57N/c1-25(2)19-13-7-10-16-22-28(23-17-11-8-14-20-26(3)4)24-18-12-9-15-21-27(5)6/h25-27H,7-24H2,1-6H3


name: Sodium 1-carboxylatoethyl stearate
cas: 18200-72-1
formula: C21H40O4.Na
inchikey: KNYAZNABVSEZDS-UHFFFAOYSA-M
norman_susdat_id: NS00087884
smiles: [Na+].CCCCCCCCCCCCCCCCCC(=O)OC(C)C(=O)[O-]
inchi:
InChI=1/C21H40O4.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)25-19(2)21(23)24;/h19H,3-18H2,1-2H3,(H,23,24);/q;+1/p-1


name: Chelirubine
cas: 18203-11-7
chebiid: CHEBI:17031
chemspiderid: 141643
dtxsid: DTXSID10171235
formula: C21H16NO5
inchikey: RNSBFHHWMMKJAM-UHFFFAOYSA-N
norman_susdat_id: NS00094619
pubchem_cid: 161243
smiles: COC1=C2C(C=[N+](C)C3=C2C=CC2=CC4=C(OCO4)C=C32)=C2OCOC2=C1
inchi:
InChI=1S/C21H16NO5/c1-22-8-14-19(17(23-2)7-18-21(14)27-10-26-18)12-4-3-11-5-15-16(25-9-24-15)6-13(11)20(12)22/h3-8H,9-10H2,1-2H3/q+1


name: N-[2-[[2-(dodecylamino)ethyl]amino]ethyl]glycine monohydrochloride
cas: 18205-85-1
formula: C18H39N3O2.ClH
inchikey: GJEULMGGGBFACC-UHFFFAOYSA-N
norman_susdat_id: NS00085957
smiles: Cl.CCCCCCCCCCCCNCCNCCNCC(=O)O
inchi:
InChI=1/C18H39N3O2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-14-20-15-16-21-17-18(22)23;/h19-21H,2-17H2,1H3,(H,22,23);1H


name: beta-Cyfluthrin
cas: 1820573-27-0
chebiid: CHEBI:39310
dtxsid: DTXSID8032330
formula: C22H18Cl2FNO3
inchikey: QQODLKZGRKWIFG-ZAAXVRCTSA-N
norman_susdat_id: NS00066819
pubchem_cid: 12881582
smiles: CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)O[C@@H](C#N)C1=CC=C(F)C(OC2=CC=CC=C2)=C1
inchi:
InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3/t15-,18-,20+/m0/s1


cas: 182061-89-8
formula: C25H26N9Na3O12S3
norman_susdat_id: NS00106665
name:
TRISODIUM 1-[[[[4-[4-[BIS-(2-HYDROXYETHYL)AMINO]-6- [(2-SULFONATOETHYL)AMINO]]-1,3,5-TRIAZIN-2-YL]AMINO]-2-SULPHONATOPHENYL]AZO]-2-AMINO-8-HYDROXY-6-NAPHTHALENE SULFONATE


name: Ethylidene dicoumarol
cas: 1821-16-5
dtxsid: DTXSID80171242
formula: C20H14O6
inchikey: CPDOMNNHJSTWKL-UHFFFAOYSA-N
norman_susdat_id: NS00046372
pubchem_cid: 54693115
smiles: O=C1OC=2C=CC=CC2C(O)=C1C(C=3C(=O)OC=4C=CC=CC4C3O)C
inchi:
InChI=1/C20H14O6/c1-10(15-17(21)11-6-2-4-8-13(11)25-19(15)23)16-18(22)12-7-3-5-9-14(12)26-20(16)24/h2-10,21-22H,1H3


name: Trimercury biscitrate
cas: 18211-85-3
formula: C6H8O7.3/2Hg
inchikey: HDCBDFYSGPMGMJ-UHFFFAOYSA-H
norman_susdat_id: NS00085218
smiles: [Hg+2].[Hg+2].[Hg+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/2C6H8O7.3Hg/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorododecane
cas: 182130-12-7
dtxsid: DTXSID40895230
formula: C12H9F17
inchikey: QMHWVMOTZAJPCO-UHFFFAOYSA-N
norman_susdat_id: NS00110347
smiles: 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
inchi:
InChI=1S/C12H9F17/c1-2-3-4-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h2-4H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorotetradecane
cas: 182130-14-9
dtxsid: DTXSID80895254
formula: C14H13F17
inchikey: DRBIBGYUOWJFGI-UHFFFAOYSA-N
norman_susdat_id: NS00111717
smiles: CCCCCCC(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/C14H13F17/c1-2-3-4-5-6-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h2-6H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoropentadecane
cas: 182130-15-0
dtxsid: DTXSID60895257
formula: C15H15F17
inchikey: UKTBRZQVLVYOAA-UHFFFAOYSA-N
norman_susdat_id: NS00111025
smiles: CCCCCCCC(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/C15H15F17/c1-2-3-4-5-6-7-8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h2-7H2,1H3


name: Arzoxifene
cas: 182133-25-1
dtxsid: DTXSID10171255
formula: C28H29NO4S
inchikey: MCGDSOGUHLTADD-UHFFFAOYSA-N
norman_susdat_id: NS00068622
pubchem_cid: 179337
smiles: COc1ccc(-c2sc3cc(O)ccc3c2Oc2ccc(OCCN3CCCCC3)cc2)cc1
inchi:
InChI=1S/C28H29NO4S/c1-31-22-8-5-20(6-9-22)28-27(25-14-7-21(30)19-26(25)34-28)33-24-12-10-23(11-13-24)32-18-17-29-15-3-2-4-16-29/h5-14,19,30H,2-4,15-18H2,1H3


cas: 182176-52-9
dtxsid: DTXSID80107243
norman_susdat_id: NS00111550
name:
Ethaneperoxoic acid, reaction products with 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl thiocyanate and 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl thiocyanate


name: N-(5-Chloro-2-methoxyphenyl)-3-(phosphonooxy)naphthalene-2-carboxamide
cas: 18228-16-5
chemspiderid: 78948
dtxsid: DTXSID50171274
formula: C18H15Cl1N1O6P1
inchikey: AXMIMEOLDUCZOC-UHFFFAOYSA-N
norman_susdat_id: NS00025997
pubchem_cid: 87516
smiles: COc1ccc(Cl)cc1NC(=O)c1cc2c(cccc2)cc1OP(=O)(O)O
inchi:
InChI=1S/C18H15ClNO6P/c1-25-16-7-6-13(19)10-15(16)20-18(21)14-8-11-4-2-3-5-12(11)9-17(14)26-27(22,23)24/h2-10H,1H3,(H,20,21)(H2,22,23,24)


name: N-(4-Chlorophenyl)-3-(phosphonooxy)naphthalene-2-carboxamide
cas: 18228-17-6
chemspiderid: 78949
dtxsid: DTXSID10171275
formula: C17H13Cl1N1O5P1
inchikey: RQAQWBFHPMSXKR-UHFFFAOYSA-N
norman_susdat_id: NS00025998
pubchem_cid: 87517
smiles: OP(=O)(O)Oc1c(cc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1
inchi:
InChI=1S/C17H13ClNO5P/c18-13-5-7-14(8-6-13)19-17(20)15-9-11-3-1-2-4-12(11)10-16(15)24-25(21,22)23/h1-10H,(H,19,20)(H2,21,22,23)


name: 3-(4-benzoyl-3-hydroxyphenoxy)-2-hydroxypropyl methacrylate
cas: 1823-18-3
dtxsid: DTXSID80883757
formula: C20H20O6
inchikey: FCRMARSNWJWNPW-UHFFFAOYSA-N
norman_susdat_id: NS00046906
pubchem_cid: 102696
smiles: O=C(OCC(O)COC1=CC=C(C(O)=C1)C(=O)C=2C=CC=CC2)C(=C)C
inchi:
InChI=1/C20H20O6/c1-13(2)20(24)26-12-15(21)11-25-16-8-9-17(18(22)10-16)19(23)14-6-4-3-5-7-14/h3-10,15,21-22H,1,11-12H2,2H3


name: bemetizide
cas: 1824-52-8
chebiid: CHEBI:135640
chemspiderid: 65056
formula: C15H16Cl1N3O4S2
inchikey: PYVUMAGVCSQCBD-UHFFFAOYSA-N
norman_susdat_id: NS00002352
pubchem_cid: 72070
smiles: CC(C1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(N)(=O)=O)c1ccccc1
inchi:
InChI=1S/C15H16ClN3O4S2/c1-9(10-5-3-2-4-6-10)15-18-12-7-11(16)13(24(17,20)21)8-14(12)25(22,23)19-15/h2-9,15,18-19H,1H3,(H2,17,20,21)


name: Ethiazide
cas: 1824-58-4
chebiid: CHEBI:31566
chemspiderid: 14989
dtxsid: DTXSID1046215
formula: C9H12Cl1N3O4S2
inchikey: VXLCNTLWWUDBSO-UHFFFAOYSA-N
norman_susdat_id: NS00010484
pubchem_cid: 15763
smiles: CCC1Nc2cc(c(cc2S(=O)(=O)N1)S(=O)(=O)N)Cl
inchi:
InChI=1S/C9H12ClN3O4S2/c1-2-9-12-6-3-5(10)7(18(11,14)15)4-8(6)19(16,17)13-9/h3-4,9,12-13H,2H2,1H3,(H2,11,14,15)


name: 7-chloro-1,3-dihydro-5-phenyl-2-oxo-2H-1,4-benzodiazepin-3-yl acetate
cas: 1824-74-4
dtxsid: DTXSID40939582
formula: C17H13ClN2O3
inchikey: FYRWUTOZBRWYCS-UHFFFAOYSA-N
norman_susdat_id: NS00046417
pubchem_cid: 102697
smiles: O=C(OC1N=C(C=2C=CC=CC2)C=3C=C(Cl)C=CC3NC1=O)C
inchi:
InChI=1/C17H13ClN2O3/c1-10(21)23-17-16(22)19-14-8-7-12(18)9-13(14)15(20-17)11-5-3-2-4-6-11/h2-9,17H,1H3,(H,19,22)


name: Ethanedioic acid, bis[(4-methylphenyl)methyl] ester
cas: 18241-31-1
chemspiderid: 78954
dtxsid: DTXSID8066343
formula: C18H18O4
inchikey: FPFZBTUMXCSRLU-UHFFFAOYSA-N
norman_susdat_id: NS00002651
pubchem_cid: 87522
smiles: Cc1ccc(COC(=O)C(=O)OCc2ccc(C)cc2)cc1
inchi:
InChI=1S/C18H18O4/c1-13-3-7-15(8-4-13)11-21-17(19)18(20)22-12-16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3


name: Piclozotan
cas: 182415-09-4
dtxsid: DTXSID90870153
formula: C23H24ClN3O2
inchikey: URMTUEWUIGOJBW-UHFFFAOYSA-N
norman_susdat_id: NS00068766
pubchem_cid: 9801640
smiles: O=C1c2ccccc2OC=C(Cl)N1CCCCN1CC=C(c2ccccn2)CC1
inchi:
InChI=1S/C23H24ClN3O2/c24-22-17-29-21-9-2-1-7-19(21)23(28)27(22)14-6-5-13-26-15-10-18(11-16-26)20-8-3-4-12-25-20/h1-4,7-10,12,17H,5-6,11,13-16H2


name: Lomitapide
cas: 182431-12-5
chebiid: CHEBI:72297
chemspiderid: 8028764
dtxsid: DTXSID50171294
formula: C39H37F6N3O2
inchikey: MBBCVAKAJPKAKM-UHFFFAOYSA-N
norman_susdat_id: NS00040678
pubchem_cid: 9853053
smiles: FC(F)(F)CNC(=O)C1(CCCCN2CCC(CC2)NC(=O)c2ccccc2-c2ccc(cc2)C(F)(F)F)c2ccccc2-c2ccccc12
inchi:
InChI=1S/C39H37F6N3O2/c40-38(41,42)25-46-36(50)37(33-13-5-3-10-30(33)31-11-4-6-14-34(31)37)21-7-8-22-48-23-19-28(20-24-48)47-35(49)32-12-2-1-9-29(32)26-15-17-27(18-16-26)39(43,44)45/h1-6,9-18,28H,7-8,19-25H2,(H,46,50)(H,47,49)


name: Myristyl gallate
cas: 18244-73-0
chemspiderid: 78956
dtxsid: DTXSID70171296
formula: C21H34O5
inchikey: BQWQGCZOPQEUIQ-UHFFFAOYSA-N
norman_susdat_id: NS00026004
pubchem_cid: 87524
smiles: CCCCCCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1
inchi:
InChI=1S/C21H34O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-26-21(25)17-15-18(22)20(24)19(23)16-17/h15-16,22-24H,2-14H2,1H3


name: 1-ethyl-2-[3-(3-ethyl-3H-benzothiazol-2-ylidene)prop-1-enyl]quinolinium iodide
cas: 18248-94-7
dtxsid: DTXSID40939587
formula: C23H23N2S
inchikey: BVQXBEQHQTXMEV-UHFFFAOYSA-M
norman_susdat_id: NS00051437
pubchem_cid: NA
smiles: [I-].S1C=2C=CC=CC2N(C1=CC=CC=3C=CC=4C=CC=CC4[N+]3CC)CC
inchi:
InChI=1/C23H23N2S.HI/c1-3-24-19(17-16-18-10-5-6-12-20(18)24)11-9-15-23-25(4-2)21-13-7-8-14-22(21)26-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1


cas: 18249-12-2
dtxsid: DTXSID90171298
formula: C27H27N2O6S2
inchikey: QTAWOJMFARURQW-UHFFFAOYSA-M
norman_susdat_id: NS00051438
pubchem_cid: 3660726
smiles: O=S(=O)([O-])C=1C=CC=2C(C1)=CC(=CC2C(C3=CC=C(C=C3)N(C)C)=C4C=CC(C=C4)=[N+](C)C)S(=O)(=O)[O-]
name:
Hydrogen [4-[[4-(dimethylamino)phenyl](3,6-disulphonato-1-naphthyl)methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium

inchi:
InChI=1/C27H26N2O6S2/c1-28(2)21-9-5-18(6-10-21)27(19-7-11-22(12-8-19)29(3)4)26-17-24(37(33,34)35)16-20-15-23(36(30,31)32)13-14-25(20)26/h5-17H,1-4H3,(H-,30,31,32,33,34,35)/p-1


cas: 182505-69-7
dtxsid: DTXSID40896722
formula: C13HF27O6S3
inchikey: JCQFXEGCFPAWHH-UHFFFAOYSA-N
norman_susdat_id: NS00110480
name:
1-[Bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonyl)methanesulfonyl]-1,1,2,2,3,3,4,4,4-nonafluorobutane

inchi:
InChI=1S/C13HF27O6S3/c14-2(15,8(26,27)28)5(20,21)11(35,36)47(41,42)1(48(43,44)12(37,38)6(22,23)3(16,17)9(29,30)31)49(45,46)13(39,40)7(24,25)4(18,19)10(32,33)34/h1H

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


name: 2,4,6-tris(1-phenylethyl)phenol
cas: 18254-13-2
dtxsid: DTXSID30864819
formula: C30H30O
inchikey: BYLSIPUARIZAHZ-UHFFFAOYSA-N
norman_susdat_id: NS00051929
pubchem_cid: 86688
smiles: OC=1C(=CC(=CC1C(C=2C=CC=CC2)C)C(C=3C=CC=CC3)C)C(C=4C=CC=CC4)C
inchi:
InChI=1/C30H30O/c1-21(24-13-7-4-8-14-24)27-19-28(22(2)25-15-9-5-10-16-25)30(31)29(20-27)23(3)26-17-11-6-12-18-26/h4-23,31H,1-3H3


name: 1,4-bis(2-ethylhexyl) 2-sulphosuccinate, compound with 2,2',2''-nitrilotri[ethanol] (1:1)
cas: 18262-08-3
formula: C20H38O7S.C6H15NO3
inchikey: NJUCVJBYISMNIH-UHFFFAOYSA-N
norman_susdat_id: NS00085170
smiles: CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)O.OCCN(CCO)CCO
inchi:
InChI=1/C20H38O7S.C6H15NO3/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;8-4-1-7(2-5-9)3-6-10/h16-18H,5-15H2,1-4H3,(H,23,24,25);8-10H,1-6H2


name: 2-Bromohexadecanoic acid
cas: 18263-25-7
chemspiderid: 74138
dtxsid: DTXSID0037734
formula: C16H31Br1O2
inchikey: DPRAYRYQQAXQPE-UHFFFAOYNA-N
norman_susdat_id: NS00026011
pubchem_cid: NA
smiles: CCCCCCCCCCCCCCC(Br)C(=O)O
inchi:
InChI=1S/C16H31BrO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(17)16(18)19/h15H,2-14H2,1H3,(H,18,19)/t15-/m1/s1


name: Acetamide, N-(9,10-dihydro-2-phenanthryl)-
cas: 18264-88-5
chemspiderid: 26974
dtxsid: DTXSID90171314
formula: C16H15N1O1
inchikey: OQLAAWHUAYKEBO-UHFFFAOYSA-N
norman_susdat_id: NS00016267
pubchem_cid: 28996
smiles: CC(=O)NC1=CC2=C(C=C1)C3=CC=CC=C3CC2
inchi:
InChI=1S/C16H15NO/c1-11(18)17-14-8-9-16-13(10-14)7-6-12-4-2-3-5-15(12)16/h2-5,8-10H,6-7H2,1H3,(H,17,18)


name: 4-[(2-hydroxy-1-naphthyl)azo]naphthalenesulphonic acid
cas: 18268-54-7
dtxsid: DTXSID2047010
formula: C20H14N2O4S
inchikey: JSAKRLDIZOGQTN-UHFFFAOYSA-N
norman_susdat_id: NS00051956
pubchem_cid: 15454
smiles: O=S(=O)(O)C1=CC=C(N=NC2=C(O)C=CC=3C=CC=CC32)C=4C=CC=CC41
inchi:
InChI=1/C20H14N2O4S/c23-18-11-9-13-5-1-2-6-14(13)20(18)22-21-17-10-12-19(27(24,25)26)16-8-4-3-7-15(16)17/h1-12,23H,(H,24,25,26)


name: Hexanoic acid, 2-ethyl-, diester with tetraethylene glycol
cas: 18268-70-7
chemspiderid: 26976
dtxsid: DTXSID8027797
formula: C24H46O7
inchikey: GYHPTPQZVBYHLC-UHFFFAOYSA-N
norman_susdat_id: NS00017691
pubchem_cid: 28999
smiles: CCCCC(CC)C(=O)OCCOCCOCCOCCOC(=O)C(CC)CCCC
inchi:
InChI=1S/C24H46O7/c1-5-9-11-21(7-3)23(25)30-19-17-28-15-13-27-14-16-29-18-20-31-24(26)22(8-4)12-10-6-2/h21-22H,5-20H2,1-4H3


name: Neojerminalanine
cas: 182693-36-3
chemspiderid: 102247145
formula: C39H61NO13
inchikey: RCDFKDXMJYWZIU-FBAKCHPYSA-N
norman_susdat_id: NS00094299
smiles:
CCC(C)C(=O)O[C@H]1[C@@H]([C@H]2[C@@H](CN3C[C@H](CC[C@H]3C2(C)O)C)[C@H]4[C@@]1([C@@H]5[C@@H](C[C@H]6[C@]7([C@]5(C4)O[C@@]6([C@H](C[C@@H]7OC(=O)C)OC(=O)C(C)(CC)O)O)C)O)O)O


cas: 182700-77-2
dtxsid: DTXSID10882758
norman_susdat_id: NS00109263
name:
Siloxanes and Silicones, di-Me, hydroxy-terminated, polymers with tetradecanedioic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,13-tricosafluoro-1-tridecanol-terminated


cas: 182700-81-8
dtxsid: DTXSID00882944
norman_susdat_id: NS00108919
name:
2-Propenoic acid, C1-20-alkyl esters, polymers with .alpha.-fluoro-.omega.-[2-[(1-oxo-2-propenyl)oxy]ethyl]poly(difluoromethylene)


cas: 182700-82-9
dtxsid: DTXSID20882709
norman_susdat_id: NS00109610
name:
2-Butenedioic acid (Z)-, di-C1-20-alkyl esters, polymer with acrylamide N-[(C1-10-alkyloxy)methyl]derivs.,.alpha.-fluoro-.omega.-[2-[(1-oxo-2-propenyl)oxy]ethyl] poly (difluoromethylene) and vinylchloride


cas: 182700-83-0
dtxsid: DTXSID70882754
norman_susdat_id: NS00111325
name:
2-Butenedioic acid (Z)-, di-C1-20-alkyl esters, polymer with .alpha.-fluoro-.omega.-[2-[(1-oxo-2-propenyl)oxy]ethyl]poly(difluoromethylene), 2-hydroxyethyl acrylate and vinyl chloride


cas: 182700-84-1
dtxsid: DTXSID70882759
norman_susdat_id: NS00111326
name:
2-Propenoic acid, C1-20-alkyl esters, polymers with .alpha.-fluoro-.omega.-[2-[(1-oxo-2-propenyl)oxy]ethyl]poly(difluoromethylene) and polyethylene-polypropylene glycol monoacrylate


cas: 182700-85-2
dtxsid: DTXSID70882678
norman_susdat_id: NS00111318
name:
2-Propenamide, N-[(C1-20-alkyloxy)methyl]derivs., polymers with acryonitrile,.alpha.-fluoro-.omega.-[2-[(1-oxo-propenyl)oxy]ethyl] poly(difluoromethylene) and polyethylene-polypropylene glycol acrylate C1-20-alkyl ethers


cas: 182700-90-9
dtxsid: DTXSID70108784
norman_susdat_id: NS00111203
name:
1-Octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-methyl-, reaction products with benzene-chlorine-sulfur chloride (S2Cl2) reaction products chlorides


name: Uroporphyrin III
cas: 18273-06-8
chebiid: CHEBI:15436
dtxsid: DTXSID70896977
formula: C40H38N4O16
inchikey: VZVFNUAIRVUCEW-UJJXFSCMSA-N
norman_susdat_id: NS00075509
inchi:
InChI=1S/C40H38N4O16/c45-33(46)5-1-17-21(9-37(53)54)29-14-27-19(3-7-35(49)50)22(10-38(55)56)30(43-27)15-28-20(4-8-36(51)52)24(12-40(59)60)32(44-28)16-31-23(11-39(57)58)18(2-6-34(47)48)26(42-31)13-25(17)41-29/h13-16,41,44H,1-12H2,(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-

smiles:
OC(=O)CCC1=C(CC(O)=O)/C2=C/C3=N/C(=CC4=C(CCC(O)=O)C(CC(O)=O)=C(N4)/C=C4N=C(C=C1/N2)C(CCC(O)=O)=C4CC(O)=O)/C(CC(O)=O)=C3CCC(O)=O


name: Ravuconazole
cas: 182760-06-1
chebiid: CHEBI:143825
dtxsid: DTXSID40171329
formula: C22H17F2N5OS
inchikey: OPAHEYNNJWPQPX-RCDICMHDSA-N
norman_susdat_id: NS00066831
pubchem_cid: 467825
smiles: C[C@@H](C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1
inchi:
InChI=1S/C22H17F2N5OS/c1-14(21-28-20(10-31-21)16-4-2-15(9-25)3-5-16)22(30,11-29-13-26-12-27-29)18-7-6-17(23)8-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1


name: 1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Tetracosafluorododec-1-ene
cas: 1828-40-6
dtxsid: DTXSID60895510
formula: C12F24
inchikey: MHQSODYIEVVICX-UHFFFAOYSA-N
norman_susdat_id: NS00111050
smiles: FC(F)=C(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
inchi:
InChI=1S/C12F24/c13-1(2(14)15)3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)36


name: ethyl tricosanoate
cas: 18281-07-7
dtxsid: DTXSID10171336
formula: C25H50O2
inchikey: URGDXLFVAIKCMI-UHFFFAOYSA-N
norman_susdat_id: NS00096489
smiles: CCCCCCCCCCCCCCCCCCCCCCC(=O)OCC
inchi:
InChI=1S/C25H50O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-4-2/h3-24H2,1-2H3


name: Daglutril
cas: 182821-27-8
dtxsid: DTXSID60171341
formula: C31H38N2O6
inchikey: XMQODGUTLZXUGZ-RPBOFIJWSA-N
norman_susdat_id: NS00069573
pubchem_cid: 3038505
smiles: CCOC(=O)[C@H](CCc1ccccc1)CC1(C(=O)N[C@H]2CCc3ccccc3N(CC(=O)O)C2=O)CCCC1
inchi:
InChI=1S/C31H38N2O6/c1-2-39-29(37)24(15-14-22-10-4-3-5-11-22)20-31(18-8-9-19-31)30(38)32-25-17-16-23-12-6-7-13-26(23)33(28(25)36)21-27(34)35/h3-7,10-13,24-25H,2,8-9,14-21H2,1H3,(H,32,38)(H,34,35)/t24-,25+/m1/s1


name: Artesunate
cas: 182824-33-5
chebiid: CHEBI:63918
dtxsid: DTXSID30861106
formula: C19H28O8
inchikey: FIHJKUPKCHIPAT-AHIGJZGOSA-N
norman_susdat_id: NS00099352
pubchem_cid: 6917864
smiles: C[C@@H]1CC[C@H]2[C@@H](C)[C@H](OC(=O)CCC(=O)O)O[C@@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
inchi:
InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,13+,16-,17-,18-,19-/m1/s1


name: [2,3-bis(dodecanoyloxy)propoxy][2-(trimethylazaniumyl)ethoxy]phosphinic acid
cas: 18285-71-7
chebiid: CHEBI:60273
formula: C32H65NO8P
inchikey: IJFVSSZAOYLHEE-SSEXGKCCSA-O
norman_susdat_id: NS00071097
pubchem_cid: 445355
smiles: CCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC
inchi:
InChI=1S/C32H64NO8P/c1-6-8-10-12-14-16-18-20-22-24-31(34)38-28-30(29-40-42(36,37)39-27-26-33(3,4)5)41-32(35)25-23-21-19-17-15-13-11-9-7-2/h30H,6-29H2,1-5H3/p+1/t30-/m1/s1


name: (Z)-N-methyl-N-(1-oxo-9-octadecyl)-ß-alanine
cas: 18289-85-5
formula: C22H41NO3
inchikey: ZRNBEAAEJJLWTJ-UHFFFAOYSA-N
norman_susdat_id: NS00051875
pubchem_cid: NA
smiles: O=C(O)CCN(C(=O)CCCCCCCC=CCCCCCCCC)C
inchi:
InChI=1/C22H41NO3/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/h10-11H,3-9,12-20H2,1-2H3,(H,25,26)


name: Disodium 2,2'-(1-triazene-1,3-diyldi-p-phenylene)bis[6-methylbenzothiazole-7-sulphonate]
cas: 1829-00-1
formula: C28H21N5O6S4.2Na
inchikey: XXSINEKLUIUVAG-UHFFFAOYSA-L
norman_susdat_id: NS00081991
smiles: Cc1ccc2nc(sc2c1S(=O)(=O)O[Na])c3ccc(cc3)N=NNc4ccc(cc4)c5nc6cccc(c6s5)S(=O)(=O)O[Na]
inchi:
InChI=1/C27H19N5O6S4.2Na/c1-15-5-14-21-24(25(15)42(36,37)38)40-27(29-21)17-8-12-19(13-9-17)31-32-30-18-10-6-16(7-11-18)26-28-20-3-2-4-22(23(20)39-26)41(33,34)35;;/h2-14H,1H3,(H,30,31)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2/rC27H17N5Na2O6S4/c1-15-5-14-21-24(25(15)44(37,38)40-34)42-27(29-21)17-8-12-19(13-9-17)31-32-30-18-10-6-16(7-11-18)26-28-20-3-2-4-22(23(20)41-26)43(35,36)39-33/h2-14H,1H3,(H,30,31)


name: Hexaphenyldisiloxane
cas: 1829-40-9
dtxsid: DTXSID0062006
formula: C36H30OSi2
inchikey: IVZTVZJLMIHPEY-UHFFFAOYSA-N
norman_susdat_id: NS00045708
pubchem_cid: 74587
smiles: O([Si](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3)[Si](C=4C=CC=CC4)(C=5C=CC=CC5)C=6C=CC=CC6
inchi:
InChI=1/C36H30OSi2/c1-7-19-31(20-8-1)38(32-21-9-2-10-22-32,33-23-11-3-12-24-33)37-39(34-25-13-4-14-26-34,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H


name: Valtrate
cas: 18296-44-1
chebiid: CHEBI:9928
formula: C22H30O8
inchikey: BDIAUFOIMFAIPU-KVJIRVJXSA-N
norman_susdat_id: NS00051977
pubchem_cid: 442436
smiles: O=C(OCC1=COC(OC(=O)CC(C)C)C2C1=CC(OC(=O)CC(C)C)C32OC3)C
inchi:
InChI=1/C22H30O8/c1-12(2)6-18(24)29-17-8-16-15(9-26-14(5)23)10-27-21(20(16)22(17)11-28-22)30-19(25)7-13(3)4/h8,10,12-13,17,20-21H,6-7,9,11H2,1-5H3


name: Didrovaltrate
cas: 18296-45-2
chebiid: CHEBI:4517
chemspiderid: 59117
dtxsid: DTXSID80171363
formula: C22H32O8
inchikey: PHHROXLDZHUIGO-PNBTUHDLSA-N
norman_susdat_id: NS00026027
pubchem_cid: 65689
smiles: CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@H]1C[C@H](OC(=O)C)[C@@]12CO1
inchi:
InChI=1S/C22H32O8/c1-12(2)6-18(24)26-9-15-10-27-21(30-19(25)7-13(3)4)20-16(15)8-17(29-14(5)23)22(20)11-28-22/h10,12-13,16-17,20-21H,6-9,11H2,1-5H3/t16-,17+,20-,21+,22-/m1/s1


name: Potassium 3-(4-benzoyl-3-hydroxyphenoxy)propanesulphonate
cas: 18296-82-7
dtxsid: DTXSID40171364
formula: C16H16O6S
inchikey: WPCVHNDQJMGGOE-UHFFFAOYSA-M
norman_susdat_id: NS00051978
pubchem_cid: 3015020
smiles: [K+].O=C(C=1C=CC=CC1)C2=CC=C(OCCCS(=O)(=O)[O-])C=C2O
inchi:
InChI=1/C16H16O6S.K/c17-15-11-13(22-9-4-10-23(19,20)21)7-8-14(15)16(18)12-5-2-1-3-6-12;/h1-3,5-8,11,17H,4,9-10H2,(H,19,20,21);/q;+1/p-1


name: Dihexylphenylphosphine
cas: 18297-98-8
dtxsid: DTXSID00171365
formula: C18H31P
inchikey: MRCWFLVFFDEGGJ-UHFFFAOYSA-N
norman_susdat_id: NS00051499
pubchem_cid: 87563
smiles: C=1C=CC(=CC1)P(CCCCCC)CCCCCC
inchi:
InChI=1/C18H31P/c1-3-5-7-12-16-19(17-13-8-6-4-2)18-14-10-9-11-15-18/h9-11,14-15H,3-8,12-13,16-17H2,1-2H3


name: Docosyl acrylate
cas: 18299-85-9
chemspiderid: 78995
dtxsid: DTXSID2066359
formula: C25H48O2
inchikey: KHAYCTOSKLIHEP-UHFFFAOYSA-N
norman_susdat_id: NS00009886
pubchem_cid: 87565
smiles: CCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C
inchi:
InChI=1S/C25H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-25(26)4-2/h4H,2-3,5-24H2,1H3


name: 2-Anthracenecarboxamide, 3-hydroxy-N-(2-methylphenyl)-
cas: 1830-77-9
chemspiderid: 67170
dtxsid: DTXSID0062008
formula: C22H17N1O2
inchikey: XCDIDHPTOCAKAB-UHFFFAOYSA-N
norman_susdat_id: NS00021046
pubchem_cid: 74593
smiles: Cc1c(NC(=O)c2c(O)cc3cc4ccccc4cc3c2)cccc1
inchi:
InChI=1S/C22H17NO2/c1-14-6-2-5-9-20(14)23-22(25)19-12-17-10-15-7-3-4-8-16(15)11-18(17)13-21(19)24/h2-13,24H,1H3,(H,23,25)


name: Octakis-O-(2-cyanoethyl)sucrose
cas: 18304-13-7
dtxsid: DTXSID70885023
formula: C36H46N8O11
inchikey: XCKPLVGWGCWOMD-UHFFFAOYSA-N
norman_susdat_id: NS00052715
pubchem_cid: NA
smiles: N#CCCOCC1OC(OC2(OC(COCCC#N)C(OCCC#N)C2OCCC#N)COCCC#N)C(OCCC#N)C(OCCC#N)C1OCCC#N
inchi:
InChI=1/C36H46N8O11/c37-9-1-17-45-25-28-30(48-20-4-12-40)32(50-22-6-14-42)33(51-23-7-15-43)35(53-28)55-36(27-47-19-3-11-39)34(52-24-8-16-44)31(49-21-5-13-41)29(54-36)26-46-18-2-10-38/h28-35H,1-8,17-27H2


name: 1,3,5,7,9,11-hexamethyl-1,3,5,7,9,11-hexavinylcyclohexasiloxane
cas: 18304-82-0
dtxsid: DTXSID30939677
formula: C18H36O6Si6
inchikey: JDLPYWQTHJDXFQ-UHFFFAOYSA-N
norman_susdat_id: NS00052740
pubchem_cid: 87572
smiles: O1[Si](O[Si](O[Si](O[Si](O[Si](O[Si]1(C=C)C)(C=C)C)(C=C)C)(C=C)C)(C=C)C)(C=C)C
inchi:
InChI=1/C18H36O6Si6/c1-13-25(7)19-26(8,14-2)21-28(10,16-4)23-30(12,18-6)24-29(11,17-5)22-27(9,15-3)20-25/h13-18H,1-6H2,7-12H3


name: Atiprimod
cas: 183063-72-1
dtxsid: DTXSID10153834
formula: C22H44N2
inchikey: SERHTTSLBVGRBY-UHFFFAOYSA-N
norman_susdat_id: NS00068603
pubchem_cid: 129869
smiles: CCCC1(CCC)CCC2(CCN(CCCN(CC)CC)C2)CC1
inchi:
InChI=1S/C22H44N2/c1-5-10-21(11-6-2)12-14-22(15-13-21)16-19-24(20-22)18-9-17-23(7-3)8-4/h5-20H2,1-4H3


name: (D-gluconato-O1,O2)(D-glycero-D-gluco-heptonato-O1,O2)magnesium
cas: 18312-25-9
formula: C13H24MgO15
inchikey: XFNNLUSRURIBKM-UHFFFAOYSA-L
norman_susdat_id: NS00086056
smiles: OCC(O)C(O)C(O)C(O)C(O)C(=O)O[Mg]OC(=O)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1/C7H14O8.C6H12O7.Mg/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15;7-1-2(8)3(9)4(10)5(11)6(12)13;/h2-6,8-13H,1H2,(H,14,15);2-5,7-11H,1H2,(H,12,13);/q;;+2/p-2


name: Octadecyl octanoate
cas: 18312-31-7
chemspiderid: 512175
dtxsid: DTXSID5051816
formula: C26H52O2
inchikey: VNLRTFSQCPNNIM-UHFFFAOYSA-N
norman_susdat_id: NS00014124
pubchem_cid: 589198
smiles: CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC
inchi:
InChI=1S/C26H52O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25-28-26(27)24-22-20-8-6-4-2/h3-25H2,1-2H3


name: behenyl erucate
cas: 18312-32-8
chemspiderid: 5020917
formula: C44H86O2
inchikey: MQSDOCWFPKXZGN-UHFFFAOYSA-N
norman_susdat_id: NS00002797
pubchem_cid: 87579
smiles: CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1S/C44H86O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-46-44(45)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20H,3-17,19,21-43H2,1-2H3


name: Tetrapotassium [(dodecylimino)dimethylene]diphosphonate
cas: 18312-78-2
formula: C14H33NO6P2.4K
inchikey: ZYROWPXONRSBKZ-UHFFFAOYSA-J
norman_susdat_id: NS00085227
smiles: [K+].[K+].[K+].[K+].CCCCCCCCCCCCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C14H33NO6P2.4K/c1-2-3-4-5-6-7-8-9-10-11-12-15(13-22(16,17)18)14-23(19,20)21;;;;/h2-14H2,1H3,(H2,16,17,18)(H2,19,20,21);;;;/q;4*+1/p-4


name: Cabazitaxel
cas: 183133-96-2
chemspiderid: 8029779
dtxsid: DTXSID40171389
formula: C45H57N1O14
inchikey: BMQGVNUXMIRLCK-UHFFFAOYSA-N
norman_susdat_id: NS00040697
pubchem_cid: 9854073
inchi:
InChI=1S/C45H57NO14/c1-24-28(57-39(51)33(48)32(26-17-13-11-14-18-26)46-40(52)60-41(3,4)5)22-45(53)37(58-38(50)27-19-15-12-16-20-27)35-43(8,36(49)34(55-10)31(24)42(45,6)7)29(54-9)21-30-44(35,23-56-30)59-25(2)47/h11-20,28-30,32-35,37,48,53H,21-23H2,1-10H3,(H,46,52)

smiles:
COC1CC2OCC2(OC(C)=O)C2C(OC(=O)c3ccccc3)C3(O)CC(OC(=O)C(O)C(NC(=O)OC(C)(C)C)c4ccccc4)C(C)=C(C(OC)C(=O)C12C)C3(C)C


cas: 183146-60-3
dtxsid: DTXSID70883009
norman_susdat_id: NS00111351
name:
Oxirane, methyl-, polymer with oxirane, mono[2-hydroxy-3-[(.gamma.-.omega.-perfluoro-C8-20-alkyl)thio]propyl]ethers


name: 4-Methyl-2-oxo-2H-1-benzopyran-7-yl nonan-1-oate
cas: 18319-93-2
chemspiderid: 79011
dtxsid: DTXSID10171396
formula: C19H24O4
inchikey: IEJIWAFZZKFSFV-UHFFFAOYSA-N
norman_susdat_id: NS00026032
pubchem_cid: 87584
smiles: CCCCCCCCC(=O)Oc1cc2c(cc1)c(C)cc(=O)o2
inchi:
InChI=1S/C19H24O4/c1-3-4-5-6-7-8-9-18(20)22-15-10-11-16-14(2)12-19(21)23-17(16)13-15/h10-13H,3-9H2,1-2H3


name: 2-NP-AMOZ
cas: 183193-59-1
chemspiderid: 22906336
formula: C15H18N4O5
inchikey: PCYAMVONOKWOLP-CXUHLZMHSA-N
norman_susdat_id: NS00015260
pubchem_cid: 53393538
smiles: C1COCCN1CC2CN(C(=O)O2)N=CC3=CC=CC=C3[N+](=O)[O-]
inchi:
InChI=1S/C15H18N4O5/c20-15-18(11-13(24-15)10-17-5-7-23-8-6-17)16-9-12-3-1-2-4-14(12)19(21)22/h1-4,9,13H,5-8,10-11H2/b16-9+


name: Clindamycin
cas: 18323-44-9
chebiid: CHEBI:3745
chemspiderid: 27005
dtxsid: DTXSID2022836
formula: C18H33Cl1N2O5S1
inchikey: KDLRVYVGXIQJDK-NOWPCOIGSA-N
norman_susdat_id: NS00008463
pubchem_cid: 29029
smiles: CCC[C@@H]1C[C@H](N(C)C1)C(=O)NC(C(C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O
inchi:
InChI=1S/C18H33ClN2O5S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)/t9?,10-,11+,12?,13+,14-,15-,16-,18-/m1/s1


name: 4-methyl-2-oxo-2H-1-benzopyran-7-yl oleate
cas: 18323-58-5
formula: C28H40O4
inchikey: NKQFKJYKCVDLPT-KHPPLWFESA-N
norman_susdat_id: NS00051546
pubchem_cid: 6436487
smiles: O=C1OC=2C=C(OC(=O)CCCCCCCC=CCCCCCCCC)C=CC2C(=C1)C
inchi:
InChI=1/C28H40O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(29)31-24-19-20-25-23(2)21-28(30)32-26(25)22-24/h10-11,19-22H,3-9,12-18H2,1-2H3


name: Ytterbium, tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-βO3,βO5)-
cas: 18323-96-1
dtxsid: DTXSID80897298
formula: C30H30F21O6Yb
inchikey: KZBQCXBCJMHJOB-VNGPFPIXSA-K
norman_susdat_id: NS00111863
inchi:
InChI=1S/3C10H11F7O2.Yb/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*4,18H,1-3H3;/q;;;+3/p-3/b3*5-4-;

smiles:
[Yb+3].CC(C)(C)C([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)F


name: Holmium, tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-βO3,βO5)-
cas: 18323-97-2
dtxsid: DTXSID40897299
formula: C30H30F21HoO6
inchikey: WWXLUYSYSVCJRZ-VNGPFPIXSA-K
norman_susdat_id: NS00110492
inchi:
InChI=1S/3C10H11F7O2.Ho/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*4,18H,1-3H3;/q;;;+3/p-3/b3*5-4-;

smiles:
[Ho+3].CC(C)(C)C([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)F


name: Dysprosium, tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-βO3,βO5)-
cas: 18323-98-3
dtxsid: DTXSID90897300
formula: C30H30DyF21O6
inchikey: YGHBDHIMYCLNCZ-VNGPFPIXSA-K
norman_susdat_id: NS00112214
inchi:
InChI=1S/3C10H11F7O2.Dy/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*4,18H,1-3H3;/q;;;+3/p-3/b3*5-4-;

smiles:
[Dy+3].CC(C)(C)C([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)F


name: AM251
cas: 183232-66-8
chebiid: CHEBI:90724
chemspiderid: 2040
dtxsid: DTXSID7042695
formula: C22H21Cl2I1N4O1
inchikey: BUZAJRPLUGXRAB-UHFFFAOYSA-N
norman_susdat_id: NS00017954
pubchem_cid: 2125
smiles: CC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)I
inchi:
InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)


name: Gemcabene
cas: 183293-82-5
dtxsid: DTXSID60171407
formula: C16H30O5
inchikey: SDMBRCRVFFHJKR-UHFFFAOYSA-N
norman_susdat_id: NS00068768
pubchem_cid: 157692
smiles: CC(C)(CCCCOCCCCC(C)(C)C(=O)O)C(=O)O
inchi:
InChI=1S/C16H30O5/c1-15(2,13(17)18)9-5-7-11-21-12-8-6-10-16(3,4)14(19)20/h5-12H2,1-4H3,(H,17,18)(H,19,20)


name: 1,3-dibenzyl-1,1,3,3-tetramethyldisiloxane
cas: 1833-27-8
chebiid: CHEBI:34058
dtxsid: DTXSID3022538
formula: C18H26OSi2
inchikey: JOZICAJUSHUZLD-UHFFFAOYSA-N
norman_susdat_id: NS00045709
pubchem_cid: 74597
smiles: O([Si](C)(C)CC=1C=CC=CC1)[Si](C)(C)CC=2C=CC=CC2
inchi:
InChI=1/C18H26OSi2/c1-20(2,15-17-11-7-5-8-12-17)19-21(3,4)16-18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3


name: 1-amino-9,10-dihydro-9,10-dioxo-4-(2,4,6-trimethylanilino)anthracene-2-sulphonic acid
cas: 1833-57-4
formula: C23H20N2O5S
inchikey: YKHGPGKCMQFZSK-UHFFFAOYSA-N
norman_susdat_id: NS00081645
smiles: Cc1cc(C)c(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)c(C)c1
inchi:
InChI=1/C23H20N2O5S/c1-11-8-12(2)21(13(3)9-11)25-16-10-17(31(28,29)30)20(24)19-18(16)22(26)14-6-4-5-7-15(14)23(19)27/h4-10,25H,24H2,1-3H3,(H,28,29,30)


name: 1-(3-chlorophenyl)-5-[(4-methoxy-2-nitrophenyl)azo]-3-methylbarbituric acid
cas: 1833-72-3
dtxsid: DTXSID60862762
formula: C18H15ClN5O6
inchikey: MRUWXPLBWROTCB-UHFFFAOYSA-N
norman_susdat_id: NS00046428
pubchem_cid: 102698
smiles: O=C1N(C(=O)C(N=NC2=CC=C(OC)C=C2[N+](=O)[O-])C(=O)N1C)C=3C=CC=C(Cl)C3
inchi:
InChI=1/C18H14ClN5O6/c1-22-16(25)15(17(26)23(18(22)27)11-5-3-4-10(19)8-11)21-20-13-7-6-12(30-2)9-14(13)24(28)29/h3-9,15H,1-2H3


name: Timcodar
cas: 183313-30-6
dtxsid: DTXSID80870142
formula: C43H45ClN4O6
inchikey: MQSMWZHHUGSULF-QNGWXLTQSA-N
norman_susdat_id: NS00070390
pubchem_cid: 9811664
smiles: COc1cc(C(=O)C(=O)N(C)[C@@H](Cc2ccc(Cl)cc2)C(=O)N(Cc2ccccc2)C(CCc2ccncc2)CCc2ccncc2)cc(OC)c1OC
inchi:
InChI=1S/C43H45ClN4O6/c1-47(43(51)40(49)34-27-38(52-2)41(54-4)39(28-34)53-3)37(26-32-10-14-35(44)15-11-32)42(50)48(29-33-8-6-5-7-9-33)36(16-12-30-18-22-45-23-19-30)17-13-31-20-24-46-25-21-31/h5-11,14-15,18-25,27-28,36-37H,12-13,16-17,26,29H2,1-4H3/t37-/m0/s1


name: Erlotinib hydrochloride
cas: 183319-69-9
chebiid: CHEBI:53509
dtxsid: DTXSID10171412
formula: C22H24ClN3O4
inchikey: GTTBEUCJPZQMDZ-UHFFFAOYSA-N
norman_susdat_id: NS00076170
smiles: Cl.COCCOC1=C(OCCOC)C=C2C(NC3=CC=CC(=C3)C#C)=NC=NC2=C1
inchi:
InChI=1S/C22H23N3O4.ClH/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22;/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25);1H


name: Erlotinib
cas: 183321-74-6
chebiid: CHEBI:114785
chemspiderid: 154044
dtxsid: DTXSID8046454
formula: C22H23N3O4
inchikey: AAKJLRGGTJKAMG-UHFFFAOYSA-N
norman_susdat_id: NS00006169
pubchem_cid: 176870
smiles: COCCOc1cc2ncnc(Nc3cccc(c3)C#C)c2cc1OCCOC
inchi:
InChI=1S/C22H23N3O4/c1-4-16-6-5-7-17(12-16)25-22-18-13-20(28-10-8-26-2)21(29-11-9-27-3)14-19(18)23-15-24-22/h1,5-7,12-15H,8-11H2,2-3H3,(H,23,24,25)


name: Arachidonoyl ethanolamide phosphate
cas: 183323-26-4
chebiid: CHEBI:144413
chemspiderid: 4446509
formula: C22H38N1O5P1
inchikey: PZPHIQQEQWCEGG-DOFZRALJSA-N
norman_susdat_id: NS00017199
pubchem_cid: 5283388
smiles: CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCOP(=O)(O)O
inchi:
InChI=1S/C22H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(24)23-20-21-28-29(25,26)27/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24)(H2,25,26,27)/b7-6-,10-9-,13-12-,16-15-


name: HE 3235
cas: 183387-50-0
dtxsid: DTXSID70171418
formula: C21H32O2
inchikey: CKAXZOYFIHQCBN-JRRMKBMNSA-N
norman_susdat_id: NS00070098
smiles: C#C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
inchi:
InChI=1S/C21H32O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,14-18,22-23H,5-13H2,2-3H3/t14-,15+,16+,17-,18-,19-,20-,21-/m0/s1


name: Androstenone
cas: 18339-16-7
chemspiderid: 78208
dtxsid: DTXSID0040965
formula: C19H28O1
inchikey: HFVMLYAGWXSTQI-UHFFFAOYSA-N
norman_susdat_id: NS00009595
pubchem_cid: 86705
smiles: CC12CCC3C(CCC4CC(=O)CCC34C)C1CC=C2
inchi:
InChI=1S/C19H28O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13,15-17H,4-8,10-12H2,1-2H3


name: NIKKOL VC-IP
cas: 183476-82-6
inchikey: OEWBEINAQKIQLZ-CMRBMDBWSA-N
norman_susdat_id: NS00078776
smiles:
CCCCCCCCC(CCCCCC)C(=O)OC[C@@H]([C@@H]1C(=C(C(=O)O1)OC(=O)C(CCCCCC)CCCCCCCC)OC(=O)C(CCCCCC)CCCCCCCC)OC(=O)C(CCCCCC)CCCCCCCC


cas: 183487-56-1
inchikey: IWVNRYSMMOKKKB-WHDGWVTESA-N
norman_susdat_id: NS00078580
smiles: Cl.BrC1=CC(=C2C=3C4[C@H](CC(C=C4CCN(CC13)C)=O)O2)OC
name:
(14S)-4-bromo-2-methoxy-7-methyl-17-oxa-7-azatetracyclo[12.2.1.0⁵,¹⁶.0¹⁰,¹⁵]heptadeca-1,3,5(16),10-tetraen-12-one hydrochloride


name: 16(R)-HETE
cas: 183509-22-0
chebiid: CHEBI:34162
chemspiderid: 4946801
formula: C20H32O3
inchikey: JEKNPVYFNMZRJG-STHMYGMFSA-N
norman_susdat_id: NS00016751
pubchem_cid: 9548884
smiles: CCCCC(C=CCC=CCC=CCC=CCCCC(=O)O)O
inchi:
InChI=1S/C20H32O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14-/t19-/m1/s1


name: 17(S)-HETE
cas: 183509-25-3
chemspiderid: 4946802
formula: C20H32O3
inchikey: OPPIPPRXLIDJKN-LNRPRRCASA-N
norman_susdat_id: NS00017067
pubchem_cid: 35028620
smiles: CCCC(CC=CCC=CCC=CCC=CCCCC(=O)O)O
inchi:
InChI=1S/C20H32O3/c1-2-16-19(21)17-14-12-10-8-6-4-3-5-7-9-11-13-15-18-20(22)23/h3,5-6,8-9,11-12,14,19,21H,2,4,7,10,13,15-18H2,1H3,(H,22,23)/b5-3-,8-6-,11-9-,14-12-/t19-/m0/s1


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoroundecane
cas: 1835250-28-6
dtxsid: DTXSID30895229
formula: C11H7F17
inchikey: DTLGDSAWSCMUJZ-UHFFFAOYSA-N
norman_susdat_id: NS00110010
smiles: CCCC(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/C11H7F17/c1-2-3-4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h2-3H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorotridecane
cas: 1835250-47-9
dtxsid: DTXSID50895246
formula: C13H11F17
inchikey: PQJWUGAPAMCURJ-UHFFFAOYSA-N
norman_susdat_id: NS00110692
smiles: CCCCCC(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/C13H11F17/c1-2-3-4-5-6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)30/h2-5H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Henicosafluorotridecane
cas: 1835251-22-3
dtxsid: DTXSID90895260
formula: C13H7F21
inchikey: MFZHQYSRBOWRKF-UHFFFAOYSA-N
norman_susdat_id: NS00112071
smiles: CCCC(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
inchi:
InChI=1S/C13H7F21/c1-2-3-4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)13(32,33)34/h2-3H2,1H3


name: 1,1,1,2,2,3,3,12,12,13,13,14,14,14-Tetradecafluorotetradecane
cas: 1835251-91-6
dtxsid: DTXSID60895237
formula: C14H16F14
inchikey: AJIYRVJOPFDXSF-UHFFFAOYSA-N
norman_susdat_id: NS00111023
smiles: FC(F)(F)C(F)(F)C(F)(F)CCCCCCCCC(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14H16F14/c15-9(16,11(19,20)13(23,24)25)7-5-3-1-2-4-6-8-10(17,18)12(21,22)14(26,27)28/h1-8H2


name: 1,1,1,2,2,3,3,4,4,15,15,16,16,17,17,18,18,18-Octadecafluorooctadecane
cas: 1835251-99-4
dtxsid: DTXSID90895326
formula: C18H20F18
inchikey: UNNUZQVXLSJZPN-UHFFFAOYSA-N
norman_susdat_id: NS00112078
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C18H20F18/c19-11(20,13(23,24)15(27,28)17(31,32)33)9-7-5-3-1-2-4-6-8-10-12(21,22)14(25,26)16(29,30)18(34,35)36/h1-10H2


name: 1,1,1,2,2,3,3,4,4,13,13,14,14,15,15,16,16,16-Octadecafluorohexadecane
cas: 1835252-00-0
dtxsid: DTXSID10895282
formula: C16H16F18
inchikey: PYHMZNIOZVWFDK-UHFFFAOYSA-N
norman_susdat_id: NS00109324
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C16H16F18/c17-9(18,11(21,22)13(25,26)15(29,30)31)7-5-3-1-2-4-6-8-10(19,20)12(23,24)14(27,28)16(32,33)34/h1-8H2


name: 1,1,1,2,2,3,3,4,4,11,11,12,12,13,13,14,14,14-Octadecafluorotetradecane
cas: 1835252-03-3
dtxsid: DTXSID30895264
formula: C14H12F18
inchikey: JVDWPFAGFJGSIM-UHFFFAOYSA-N
norman_susdat_id: NS00110013
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14H12F18/c15-7(16,9(19,20)11(23,24)13(27,28)29)5-3-1-2-4-6-8(17,18)10(21,22)12(25,26)14(30,31)32/h1-6H2


name: 1,1,1,2,2,3,3,4,4,5,5,16,16,17,17,18,18,19,19,20,20,20-Docosafluoroicosane
cas: 1835252-07-7
dtxsid: DTXSID90895407
formula: C20H20F22
inchikey: RFDSQPGWGBLAFI-UHFFFAOYSA-N
norman_susdat_id: NS00112086
smiles: FC(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)F
inchi:
InChI=1S/C20H20F22/c21-11(22,13(25,26)15(29,30)17(33,34)19(37,38)39)9-7-5-3-1-2-4-6-8-10-12(23,24)14(27,28)16(31,32)18(35,36)20(40,41)42/h1-10H2


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,17,17,18,18,19,19,20,20,21,21,22,22,22-Hexacosafluorodocosane
cas: 1835255-18-9
dtxsid: DTXSID90895427
formula: C22H20F26
inchikey: PUQDQKFGPNVJDT-UHFFFAOYSA-N
norman_susdat_id: NS00112088
smiles: FC(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)F
inchi:
InChI=1S/C22H20F26/c23-11(24,13(27,28)15(31,32)17(35,36)19(39,40)21(43,44)45)9-7-5-3-1-2-4-6-8-10-12(25,26)14(29,30)16(33,34)18(37,38)20(41,42)22(46,47)48/h1-10H2


name: 1,1,1,2,2,3,3,4,4,5,5,14,14,15,15,16,16,17,17,18,18,18-Docosafluorooctadecane
cas: 1835255-24-7
dtxsid: DTXSID60895378
formula: C18H16F22
inchikey: HCYPERYYAZDFLK-UHFFFAOYSA-N
norman_susdat_id: NS00111037
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C18H16F22/c19-9(20,11(23,24)13(27,28)15(31,32)17(35,36)37)7-5-3-1-2-4-6-8-10(21,22)12(25,26)14(29,30)16(33,34)18(38,39)40/h1-8H2


name: 1,1,1,2,2,3,3,4,4,5,5,12,12,13,13,14,14,15,15,16,16,16-Docosafluorohexadecane
cas: 1835255-25-8
dtxsid: DTXSID50895327
formula: C16H12F22
inchikey: VWDQEOUJCKTHTF-UHFFFAOYSA-N
norman_susdat_id: NS00110700
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C16H12F22/c17-7(18,9(21,22)11(25,26)13(29,30)15(33,34)35)5-3-1-2-4-6-8(19,20)10(23,24)12(27,28)14(31,32)16(36,37)38/h1-6H2


name: 1,1,1,2,2,3,3,4,4,5,5,8,8,9,9,10,10,11,11,12,12,12-Docosafluorododecane
cas: 1835255-38-3
dtxsid: DTXSID90895265
formula: C12H4F22
inchikey: RVPRLHLWDOJBHQ-UHFFFAOYSA-N
norman_susdat_id: NS00112072
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H4F22/c13-3(14,5(17,18)7(21,22)9(25,26)11(29,30)31)1-2-4(15,16)6(19,20)8(23,24)10(27,28)12(32,33)34/h1-2H2


name: Abarelix
cas: 183552-38-7
chemspiderid: 10482301
dtxsid: DTXSID20171443
formula: C72H95Cl1N14O14
inchikey: AIWRTTMUVOZGPW-UHFFFAOYSA-N
norman_susdat_id: NS00040702
pubchem_cid: 16131215
inchi:
InChI=1S/C72H95ClN14O14/c1-41(2)32-54(64(93)80-53(17-10-11-30-77-42(3)4)72(101)87-31-13-18-60(87)69(98)78-43(5)63(75)92)81-68(97)58(38-62(74)91)84-70(99)61(37-46-22-27-52(90)28-23-46)86(7)71(100)59(40-88)85-67(96)57(36-48-14-12-29-76-39-48)83-66(95)56(34-45-20-25-51(73)26-21-45)82-65(94)55(79-44(6)89)35-47-19-24-49-15-8-9-16-50(49)33-47/h8-9,12,14-16,19-29,33,39,41-43,53-61,77,88,90H,10-11,13,17-18,30-32,34-38,40H2,1-7H3,(H2,74,91)(H2,75,92)(H,78,98)(H,79,89)(H,80,93)(H,81,97)(H,82,94)(H,83,95)(H,84,99)(H,85,96)

smiles:
CC(C)CC(NC(=O)C(CC(N)=O)NC(=O)C(Cc1ccc(O)cc1)N(C)C(=O)C(CO)NC(=O)C(Cc1cccnc1)NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)C(Cc1ccc2ccccc2c1)NC(C)=O)C(=O)NC(CCCCNC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(N)=O


cas: 18359-88-1
dtxsid: DTXSID70939732
formula: C29H25N2S2
inchikey: FMJJHXXHXVIAON-UHFFFAOYSA-M
norman_susdat_id: NS00052843
pubchem_cid: NA
smiles: [I-].S1C=2C=CC=3C=CC=CC3C2N(C1=CC=CC=4SC5=CC=C6C=CC=CC6=C5[N+]4CC)CC
name:
1-ethyl-2-[3-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-1-propenyl]naphtho[1,2-d]thiazolium iodide

inchi:
InChI=1/C29H25N2S2.HI/c1-3-30-26(32-24-18-16-20-10-5-7-12-22(20)28(24)30)14-9-15-27-31(4-2)29-23-13-8-6-11-21(23)17-19-25(29)33-27;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1


name: Trisodium 2-[(2-hydroxy-3,6-disulphonato-1-naphthyl)azo]benzoate
cas: 1836-22-2
formula: C17H12N2O9S2.3Na
inchikey: RBKBGHZMNFTKRE-UHFFFAOYSA-K
norman_susdat_id: NS00081993
smiles: [Na+].[Na+].[Na+].[O-]C(=O)c3ccccc3N=Nc1c2ccc(cc2cc(c1O)S([O-])(=O)=O)S([O-])(=O)=O
inchi:
InChI=1/C17H12N2O9S2.3Na/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);;;/q;3*+1/p-3


name: Leucomycins A5
cas: 18361-45-0
chemspiderid: 4445493
formula: C39H65N1O14
inchikey: JZVYPSLDMXOITF-UHFFFAOYSA-N
norman_susdat_id: NS00040625
pubchem_cid: 5282324
smiles: CCCC(=O)OC1C(C)OC(CC1(C)O)OC1C(C)OC(OC2C(CC=O)CC(C)C(O)C=CC=CCC(C)OC(=O)CC(O)C2OC)C(O)C1N(C)C
inchi:
InChI=1S/C39H65NO14/c1-10-14-29(44)52-37-25(5)50-31(21-39(37,6)47)53-34-24(4)51-38(33(46)32(34)40(7)8)54-35-26(17-18-41)19-22(2)27(42)16-13-11-12-15-23(3)49-30(45)20-28(43)36(35)48-9/h11-13,16,18,22-28,31-38,42-43,46-47H,10,14-15,17,19-21H2,1-9H3


name: Leucomycins A4
cas: 18361-46-1
chemspiderid: 4445492
formula: C41H67N1O15
inchikey: XVTMRUKLMXPAKO-UHFFFAOYSA-N
norman_susdat_id: NS00040624
pubchem_cid: 5282323
smiles: CCCC(=O)OC1C(C)OC(CC1(C)O)OC1C(C)OC(OC2C(CC=O)CC(C)C(O)C=CC=CCC(C)OC(=O)CC(OC(C)=O)C2OC)C(O)C1N(C)C
inchi:
InChI=1S/C41H67NO15/c1-11-15-31(46)55-39-26(5)52-33(22-41(39,7)49)56-36-25(4)53-40(35(48)34(36)42(8)9)57-37-28(18-19-43)20-23(2)29(45)17-14-12-13-16-24(3)51-32(47)21-30(38(37)50-10)54-27(6)44/h12-14,17,19,23-26,28-30,33-40,45,48-49H,11,15-16,18,20-22H2,1-10H3


name: (Z)-1-[(octadec-9-enyloxy)methyl]propyl hydrogen sulphate
cas: 18366-27-3
formula: C22H44O5S
inchikey: CXECSFAECLYBNS-QXMHVHEDSA-N
norman_susdat_id: NS00052030
pubchem_cid: 6436461
smiles: O=S(=O)(O)OC(COCCCCCCCCC=CCCCCCCCC)CC
inchi:
InChI=1/C22H44O5S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-21-22(4-2)27-28(23,24)25/h11-12,22H,3-10,13-21H2,1-2H3,(H,23,24,25)


name: Penthiopyrad
cas: 183675-82-3
chebiid: CHEBI:83138
chemspiderid: 9563463
dtxsid: DTXSID6058005
formula: C16H20F3N3O1S1
inchikey: PFFIDZXUXFLSSR-UHFFFAOYSA-N
norman_susdat_id: NS00015073
pubchem_cid: 11388558
smiles: CC(C)CC(C)C1=C(C=CS1)NC(=O)C2=CN(N=C2C(F)(F)F)C
inchi:
InChI=1S/C16H20F3N3OS/c1-9(2)7-10(3)13-12(5-6-24-13)20-15(23)11-8-22(4)21-14(11)16(17,18)19/h5-6,8-10H,7H2,1-4H3,(H,20,23)


cas: 18371-33-0
dtxsid: DTXSID10885027
formula: C23H23N2O2S2
inchikey: FSILXDXZXIDNAO-UHFFFAOYSA-M
norman_susdat_id: NS00051661
pubchem_cid: NA
smiles: [Br-].OCCN1C(SC=2C=CC=CC21)=CC=CC=CC=3SC=4C=CC=CC4[N+]3CCO
name:
3-(2-hydroxyethyl)-2-[5-[3-(2-hydroxyethyl)-3H-benzothiazol-2-ylidene]penta-1,3-dienyl]benzothiazolium bromide

inchi:
InChI=1/C23H23N2O2S2.BrH/c26-16-14-24-18-8-4-6-10-20(18)28-22(24)12-2-1-3-13-23-25(15-17-27)19-9-5-7-11-21(19)29-23;/h1-13,26-27H,14-17H2;1H/q+1;/p-1


name: N-(1,3-Dihydroxypropan-2-yl)icosa-5,8,11,14-tetraenamide
cas: 183718-70-9
chemspiderid: 8771144
dtxsid: DTXSID90694013
formula: C23H39N1O3
inchikey: QHELXIATGZYOIB-DOFZRALJSA-N
norman_susdat_id: NS00017194
pubchem_cid: 10595770
smiles: CCCCCC=CCC=CCC=CCC=CCCCC(=O)NC(CO)CO
inchi:
InChI=1S/C23H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)24-22(20-25)21-26/h6-7,9-10,12-13,15-16,22,25-26H,2-5,8,11,14,17-21H2,1H3,(H,24,27)/b7-6-,10-9-,13-12-,16-15-


name: Culmorin
cas: 18374-83-9
chemspiderid: 327532
dtxsid: DTXSID10891805
formula: C15H26O2
inchikey: VWMGBHVRRNKOAE-PDMNRUCYSA-N
norman_susdat_id: NS00094880
pubchem_cid: 115285
smiles: C[C@@]12CCCC([C@H]3[C@@H]1[C@@H](C[C@@]2(C3O)C)O)(C)C
inchi:
InChI=1S/C15H26O2/c1-13(2)6-5-7-14(3)10-9(16)8-15(14,4)12(17)11(10)13/h9-12,16-17H,5-8H2,1-4H3/t9-,10+,11+,12?,14-,15-/m1/s1


cas: 183747-35-5
formula: C45H58N10O13
inchikey: NGCNKEZHGRXHNL-WVWQGFTISA-N
norman_susdat_id: NS00073500
pubchem_cid: 9876321
name:
2-[4-benzyl-7-(1h-indol-3-ylmethyl)-16-(2-methylpropyl)-3,6,9,12,15,18,21-heptaoxo-2,5,8,11,14,17,20-heptaazabicyclo[8.8.4]docosan-13-yl]-n-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]acetamide

inchi:
InChI=1S/C45H58N10O13/c1-21(2)13-27-39(62)53-31(17-35(59)55-45-36(48-22(3)57)38(61)37(60)33(20-56)68-45)43(66)52-30-16-34(58)47-19-32(44(67)49-27)54-40(63)28(14-23-9-5-4-6-10-23)50-41(64)29(51-42(30)65)15-24-18-46-26-12-8-7-11-25(24)26/h4-12,18,21,27-33,36-38,45-46,56,60-61H,13-17,19-20H2,1-3H3,(H,47,58)(H,48,57)(H,49,67)(H,50,64)(H,51,65)(H,52,66)(H,53,62)(H,54,63)(H,55,59)/t27-,28-,29-,30-,31-,32-,33+,36+,37+,38+,45+/m0/s1

smiles:
CC(=O)N[C@H]1[C@H](NC(=O)C[C@@H]2NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CNC(=O)C[C@H](NC2=O)C(=O)N[C@@H](Cc2c[nH]c4ccccc24)C(=O)N[C@@H](Cc2ccccc2)C(=O)N3)O[C@H](CO)[C@@H](O)[C@@H]1O


name: N-octyl-D-gluconamide
cas: 18375-61-6
formula: C14H29NO6
inchikey: KTMBZDQOFPBYBL-FVCCEPFGSA-N
norman_susdat_id: NS00052149
pubchem_cid: 87609
smiles: O=C(NCCCCCCCC)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1/C14H29NO6/c1-2-3-4-5-6-7-8-15-14(21)13(20)12(19)11(18)10(17)9-16/h10-13,16-20H,2-9H2,1H3,(H,15,21)


name: N-decyl-D-gluconamide
cas: 18375-62-7
formula: C16H33NO6
inchikey: REISOHCMNXKYLD-APIJFGDWSA-N
norman_susdat_id: NS00051704
pubchem_cid: 87610
smiles: O=C(NCCCCCCCCCC)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1/C16H33NO6/c1-2-3-4-5-6-7-8-9-10-17-16(23)15(22)14(21)13(20)12(19)11-18/h12-15,18-22H,2-11H2,1H3,(H,17,23)


name: N-dodecyl-D-gluconamide
cas: 18375-63-8
formula: C18H37NO6
inchikey: WUTZOLDBWJNAMI-WCXIOVBPSA-N
norman_susdat_id: NS00052904
pubchem_cid: 87611
smiles: O=C(NCCCCCCCCCCCC)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1/C18H37NO6/c1-2-3-4-5-6-7-8-9-10-11-12-19-18(25)17(24)16(23)15(22)14(21)13-20/h14-17,20-24H,2-13H2,1H3,(H,19,25)


name: N-tetradecyl-D-gluconamide
cas: 18375-64-9
formula: C20H41NO6
inchikey: UJDMIHIBQDGSFG-AKHDSKFASA-N
norman_susdat_id: NS00052074
pubchem_cid: 87612
smiles: O=C(NCCCCCCCCCCCCCC)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1/C20H41NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-20(27)19(26)18(25)17(24)16(23)15-22/h16-19,22-26H,2-15H2,1H3,(H,21,27)


name: N-hexadecyl-D-gluconamide
cas: 18375-65-0
formula: C22H45NO6
inchikey: BAQZGMGRUAWPCJ-MXEMCNAFSA-N
norman_susdat_id: NS00051705
pubchem_cid: 87613
smiles: O=C(NCCCCCCCCCCCCCCCC)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1/C22H45NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-22(29)21(28)20(27)19(26)18(25)17-24/h18-21,24-28H,2-17H2,1H3,(H,23,29)


name: N-octadecyl-D-gluconamide
cas: 18375-66-1
formula: C24H49NO6
inchikey: NXLFPCFLIXFFRH-BXXSPATCSA-N
norman_susdat_id: NS00051706
pubchem_cid: 87614
smiles: O=C(NCCCCCCCCCCCCCCCCCC)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1/C24H49NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-24(31)23(30)22(29)21(28)20(27)19-26/h20-23,26-30H,2-19H2,1H3,(H,25,31)


name: Plicamycin
cas: 18378-89-7
chemspiderid: 4447655
dtxsid: DTXSID6023492
formula: C52H76O24
inchikey: CFCUWKMKBJTWLW-GWRQQDNDSA-N
norman_susdat_id: NS00011729
pubchem_cid: 5284610
inchi:
InChI=1S/C52H76O24/c1-18-29(72-34-14-30(43(58)21(4)68-34)73-33-13-28(54)42(57)20(3)67-33)12-26-10-25-11-27(49(66-9)48(63)41(56)19(2)53)50(47(62)39(25)46(61)38(26)40(18)55)76-36-16-31(44(59)23(6)70-36)74-35-15-32(45(60)22(5)69-35)75-37-17-52(8,65)51(64)24(7)71-37/h10,12,19-24,27-28,30-37,41-45,49-51,53-61,64-65H,11,13-17H2,1-9H3/t19-,20-,21-,22-,23-,24-,27?,28-,30-,31-,32-,33+,34+,35+,36+,37+,41+,42-,43+,44-,45-,49+,50+,51-,52+/m1/s1

smiles:
Cc1c(cc2cc3c(c(c2c1O)O)C(=O)[C@H](C(C3)[C@@H](C(=O)[C@H]([C@@H](C)O)O)OC)O[C@H]4C[C@H]([C@@H]([C@H](O4)C)O)O[C@H]5C[C@H]([C@@H]([C@H](O5)C)O)O[C@H]6C[C@]([C@@H]([C@H](O6)C)O)(C)O)O[C@H]7C[C@H]([C@H]([C@H](O7)C)O)O[C@H]8C[C@H]([C@@H]([C@H](O8)C)O)O


name: 5-Fluoro ADB
cas: 1838134-16-9
chemspiderid: 32741709
formula: C20H28F1N3O3
inchikey: PWEKNGSNNAKWBL-KRWDZBQOSA-N
norman_susdat_id: NS00017369
pubchem_cid: 119025633
smiles: CC(C)(C)C(C(=O)OC)NC(=O)C1=NN(C2=CC=CC=C21)CCCCCF
inchi:
InChI=1S/C20H28FN3O3/c1-20(2,3)17(19(26)27-4)22-18(25)16-14-10-6-7-11-15(14)24(23-16)13-9-5-8-12-21/h6-7,10-11,17H,5,8-9,12-13H2,1-4H3,(H,22,25)/t17-/m0/s1


name: XV638
cas: 183854-11-7
chebiid: CHEBI:10050
dtxsid: DTXSID90171490
formula: C41H38N6O5S2
inchikey: JDALSSGOBMTZEP-NWJWHWDBSA-N
norman_susdat_id: NS00073027
pubchem_cid: 441046
inchi:
InChI=1S/C41H38N6O5S2/c48-35-33(23-27-9-3-1-4-10-27)46(25-29-13-7-15-31(21-29)37(50)44-39-42-17-19-53-39)41(52)47(34(36(35)49)24-28-11-5-2-6-12-28)26-30-14-8-16-32(22-30)38(51)45-40-43-18-20-54-40/h1-22,33-36,48-49H,23-26H2,(H,42,44,50)(H,43,45,51)/t33-,34-,35+,36+/m1/s1

smiles:
O=C(Nc1nccs1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)Nc4nccs4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1


cas: 183854-21-9
dtxsid: DTXSID30171494
formula: C49H44N8O5
inchikey: UWSVAGUSMAEUKO-QHQGJXSCSA-N
norman_susdat_id: NS00073026
pubchem_cid: 444672
name:
(4R-(4alpha,5alpha,6beta,7beta))-3,3'-((Tetrahydro-5,6-dihydroxy-2-oxo-4,7-bis(phenylmethyl)-1H-1,3-diazepine-1,3(2H)-diyl)-bis(methylene))bis(N-1H-benzimidazol-2-ylbenzamide)

inchi:
InChI=1S/C49H44N8O5/c58-43-41(27-31-13-3-1-4-14-31)56(29-33-17-11-19-35(25-33)45(60)54-47-50-37-21-7-8-22-38(37)51-47)49(62)57(42(44(43)59)28-32-15-5-2-6-16-32)30-34-18-12-20-36(26-34)46(61)55-48-52-39-23-9-10-24-40(39)53-48/h1-26,41-44,58-59H,27-30H2,(H2,50,51,54,60)(H2,52,53,55,61)/t41-,42-,43+,44+/m1/s1

smiles:
O=C(N=c1[nH]c2ccccc2[nH]1)c1cccc(CN2C(=O)N(Cc3cccc(C(=O)N=c4[nH]c5ccccc5[nH]4)c3)[C@H](Cc3ccccc3)[C@H](O)[C@@H](O)[C@H]2Cc2ccccc2)c1


name: 3-Methylbutyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
cas: 183873-56-5
dtxsid: DTXSID90896510
formula: C11H11F11O3
inchikey: AXCQVYBSRFQQRB-UHFFFAOYSA-N
norman_susdat_id: NS00112180
smiles: CC(C)CCOC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1/C11H11F11O3/c1-5(2)3-4-24-6(23)7(12,9(15,16)17)25-11(21,22)8(13,14)10(18,19)20/h5H,3-4H2,1-2H3


name: Hexyl 2,3,3,3-tetrafluoro-2-(heptafluoropropoxy)propanoate
cas: 183873-57-6
dtxsid: DTXSID10896512
formula: C12H13F11O3
inchikey: FEZXWXKYEADKJL-UHFFFAOYSA-N
norman_susdat_id: NS00109429
smiles: CCCCCCOC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1/C12H13F11O3/c1-2-3-4-5-6-25-7(24)8(13,10(16,17)18)26-12(22,23)9(14,15)11(19,20)21/h2-6H2,1H3


name: 9,11-Octadecadienoic acid
cas: 1839-11-8
chebiid: CHEBI:36025
chemspiderid: 67183
dtxsid: DTXSID6041006
formula: C18H32O2
inchikey: JBYXPOFIGCOSSB-UHFFFAOYSA-N
norman_susdat_id: NS00020597
pubchem_cid: 74607
smiles: CCCCCCC=CC=CCCCCCCCC(=O)O
inchi:
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-10H,2-6,11-17H2,1H3,(H,19,20)/b8-7+,10-9+


name: Pereirine
cas: 18397-07-4
dtxsid: DTXSID00939780
formula: C19H26N2O
inchikey: FAQGZHFLASTWAV-IHLKXGHLSA-N
norman_susdat_id: NS00052090
pubchem_cid: 20054921
smiles: OCC1C2NC=3C=CC=CC3C42CCN5CC(CC)C1CC54
inchi:
InChI=1/C19H26N2O/c1-2-12-10-21-8-7-19-15-5-3-4-6-16(15)20-18(19)14(11-22)13(12)9-17(19)21/h3-6,12-14,17-18,20,22H,2,7-11H2,1H3


name: 1-Nitro-4-[(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)oxy]benzene
cas: 183997-46-8
dtxsid: DTXSID10896052
formula: C12H6F11NO3
inchikey: RGOZNZUAXTXBNG-UHFFFAOYSA-N
norman_susdat_id: NS00109383
smiles: [O-][N+](=O)c1ccc(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
inchi:
InChI=1S/C12H6F11NO3/c13-8(14,5-27-7-3-1-6(2-4-7)24(25)26)9(15,16)10(17,18)11(19,20)12(21,22)23/h1-4H,5H2


name: Carbonic acid, bismuth salt
cas: 18400-34-5
formula: CH2O3.xBi
inchikey: BVSJFJYBCUEMMU-UHFFFAOYSA-L
norman_susdat_id: NS00086180
smiles: [BiH3+3].[O-]C(=O)[O-]
inchi:
InChI=1/CH2O3.Bi.3H/c2-1(3)4;;;;/h(H2,2,3,4);;;;/q;+3;;;/p-2/rCH2O3.BiH3/c2-1(3)4;/h(H2,2,3,4);1H3/q;+3/p-2


name: 18-Bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorooctadecane
cas: 184007-06-5
dtxsid: DTXSID40895336
formula: C18H20BrF17
inchikey: DAPVOZHBSIXKMY-UHFFFAOYSA-N
norman_susdat_id: NS00110358
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)CCCCCCCCCCBr
inchi:
InChI=1S/C18H20BrF17/c19-10-8-6-4-2-1-3-5-7-9-11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)18(34,35)36/h1-10H2


name: 2,2,4-trimethyl-7-(1,1,3,3-tetramethylbutyl)chroman-6-ol
cas: 18403-59-3
dtxsid: DTXSID80885034
formula: C20H32O2
inchikey: WPFCIJSORUPKTC-UHFFFAOYSA-N
norman_susdat_id: NS00052167
pubchem_cid: 86720
smiles: OC=1C=C2C(OC(C)(C)CC2C)=CC1C(C)(C)CC(C)(C)C
inchi:
InChI=1/C20H32O2/c1-13-11-20(7,8)22-17-10-15(16(21)9-14(13)17)19(5,6)12-18(2,3)4/h9-10,13,21H,11-12H2,1-8H3


cas: 18403-67-3
formula: C40H76O8S2Sn2
inchikey: CAZQGLFLXPFQNS-UHFFFAOYSA-J
norman_susdat_id: NS00052168
pubchem_cid: 16684023
smiles: O=C(O[Sn](SCC(=O)OCC(CC)CCCC)(CCCC)CCCC)C=CC(=O)O[Sn](SCC(=O)OCC(CC)CCCC)(CCCC)CCCC
name:
Bis(2-ethylhexyl) 4,4,11,11-tetrabutyl-6,9-dioxo-5,10-dioxa-3,12-dithia-4,11-distannatetradec-7-enedioate

inchi:
InChI=1/2C10H20O2S.C4H4O4.4C4H9.2Sn/c2*1-3-5-6-9(4-2)7-12-10(11)8-13;5-3(6)1-2-4(7)8;4*1-3-4-2;;/h2*9,13H,3-8H2,1-2H3;1-2H,(H,5,6)(H,7,8);4*1,3-4H2,2H3;;/q;;;;;;;2*+2/p-4/rC40H76O8S2Sn2/c1-9-17-23-35(15-7)31-45-39(43)33-49-51(27-19-11-3,28-20-12-4)47-37(41)25-26-38(42)48-52(29-21-13-5,30-22-14-6)50-34-40(44)46-32-36(16-8)24-18-10-2/h25-26,35-36H,9-24,27-34H2,1-8H3


name: (5ß)-3ß-[(2,6-dideoxy-ß-D-ribo-hexopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
cas: 18404-43-8
dtxsid: DTXSID50939790
formula: C29H44O7
inchikey: NQOMDNMTNVQXRR-WQLPVBBFSA-N
norman_susdat_id: NS00052169
pubchem_cid: 11961867
smiles: O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(C)C(O)C(O)C6)CCC5(C)C4CCC23C
inchi:
InChI=1/C29H44O7/c1-16-26(32)23(30)14-25(35-16)36-19-6-9-27(2)18(13-19)4-5-22-21(27)7-10-28(3)20(8-11-29(22,28)33)17-12-24(31)34-15-17/h12,16,18-23,25-26,30,32-33H,4-11,13-15H2,1-3H3


name: Fluspirilene
cas: 1841-19-6
chebiid: CHEBI:93369
chemspiderid: 3279
dtxsid: DTXSID7045152
formula: C29H31F2N3O1
inchikey: QOYHHIBFXOOADH-UHFFFAOYSA-N
norman_susdat_id: NS00010091
pubchem_cid: 3396
smiles: Fc1ccc(cc1)C(CCCN1CCC2(CC1)N(CNC2=O)c1ccccc1)c1ccc(F)cc1
inchi:
InChI=1S/C29H31F2N3O/c30-24-12-8-22(9-13-24)27(23-10-14-25(31)15-11-23)7-4-18-33-19-16-29(17-20-33)28(35)32-21-34(29)26-5-2-1-3-6-26/h1-3,5-6,8-15,27H,4,7,16-21H2,(H,32,35)


name: 1H,1H,9H-perfluorononyl methacrylate
cas: 1841-46-9
chemspiderid: 92302
dtxsid: DTXSID10171538
formula: C13H8F16O2
inchikey: XAENZTGUQXVFPQ-UHFFFAOYSA-N
norman_susdat_id: NS00011216
pubchem_cid: 102170
smiles: C(C(C(C(C(C(C(C(C(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC(C(C)=C)=O
inchi:
InChI=1S/C13H8F16O2/c1-4(2)5(30)31-3-7(16,17)9(20,21)11(24,25)13(28,29)12(26,27)10(22,23)8(18,19)6(14)15/h6H,1,3H2,2H3


name: (S)-12-hydroxyoctadecanoic acid
cas: 18417-00-0
formula: C18H36O3
inchikey: ULQISTXYYBZJSJ-KRWDZBQOSA-N
norman_susdat_id: NS00085356
smiles: CCCCCC[C@H](O)CCCCCCCCCCC(=O)O
inchi:
InChI=1/C18H36O3/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)


name: Sangivamycin
cas: 18417-89-5
chebiid: CHEBI:85997
chemspiderid: 14261
formula: C12H15N5O5
inchikey: OBZJZDHRXBKKTJ-JTFADIMSSA-N
norman_susdat_id: NS00011704
pubchem_cid: 14978
smiles: c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C(=O)N
inchi:
InChI=1S/C12H15N5O5/c13-9-6-4(10(14)21)1-17(11(6)16-3-15-9)12-8(20)7(19)5(2-18)22-12/h1,3,5,7-8,12,18-20H,2H2,(H2,14,21)(H2,13,15,16)/t5-,7-,8-,12-/m1/s1


name: Ochratoxin B ethyl ester
cas: 18420-71-8
chemspiderid: 529967
dtxsid: DTXSID40893993
formula: C22H23NO6
inchikey: XXAVUHHKDMGGBR-UHFFFAOYSA-N
norman_susdat_id: NS00094944
pubchem_cid: 609665
smiles: CCOC(=O)C(CC1=CC=CC=C1)NC(=O)C2=C(C3=C(CC(OC3=O)C)C=C2)O
inchi:
InChI=1S/C22H23NO6/c1-3-28-21(26)17(12-14-7-5-4-6-8-14)23-20(25)16-10-9-15-11-13(2)29-22(27)18(15)19(16)24/h4-10,13,17,24H,3,11-12H2,1-2H3,(H,23,25)


name: Tetrahydro-3,4-dipiperonylfuran-2-ol
cas: 18423-69-3
formula: C20H20O6
inchikey: DIYWRNLYKJKHAM-UHFFFAOYSA-N
norman_susdat_id: NS00051733
pubchem_cid: 287685
smiles: OC1OCC(CC2=CC=C3OCOC3=C2)C1CC4=CC=C5OCOC5=C4
inchi:
InChI=1/C20H20O6/c21-20-15(6-13-2-4-17-19(8-13)26-11-24-17)14(9-22-20)5-12-1-3-16-18(7-12)25-10-23-16/h1-4,7-8,14-15,20-21H,5-6,9-11H2


name: Disodium N-(carboxylatomethyl)-N-(1-oxododecyl)glycinate
cas: 18426-54-5
formula: C16H29NO5.2Na
inchikey: CLSCIQBNALVBRX-UHFFFAOYSA-L
norman_susdat_id: NS00085426
smiles: [Na+].[Na+].CCCCCCCCCCCC(=O)N(CC(=O)[O-])CC(=O)[O-]
inchi:
InChI=1/C16H29NO5.2Na/c1-2-3-4-5-6-7-8-9-10-11-14(18)17(12-15(19)20)13-16(21)22;;/h2-13H2,1H3,(H,19,20)(H,21,22);;/q;2*+1/p-2


cas: 18426-55-6
formula: C25H27Cl2N2O3S3
inchikey: JUASOEGJZZHZCQ-UHFFFAOYSA-N
norman_susdat_id: NS00052984
pubchem_cid: NA
smiles: O=S(=O)([O-])C(C)CC[N+]1=C(SC=2C=CC(Cl)=CC21)C=C(C=C3SC4=CC=C(Cl)C=C4N3CC)CC
name:
5-chloro-2-[2-[(5-chloro-3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-3-(3-sulphonatobutyl)benzothiazolium

inchi:
InChI=1/C25H26Cl2N2O3S3/c1-4-17(12-24-28(5-2)20-14-18(26)6-8-22(20)33-24)13-25-29(11-10-16(3)35(30,31)32)21-15-19(27)7-9-23(21)34-25/h6-9,12-16H,4-5,10-11H2,1-3H3


cas: 18426-56-7
dtxsid: DTXSID50885041
formula: C23H23Cl2N2S2
inchikey: IRDCLYHXVTZGKY-UHFFFAOYSA-M
norman_susdat_id: NS00052985
pubchem_cid: NA
smiles: [Br-].ClC1=CC=C2SC(=CC(=CC=3SC=4C=CC(Cl)=CC4[N+]3CC)CC)N(C2=C1)CC
name:
5-chloro-2-[2-[(5-chloro-3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-3-ethylbenzothiazolium bromide

inchi:
InChI=1/C23H23Cl2N2S2.BrH/c1-4-15(11-22-26(5-2)18-13-16(24)7-9-20(18)28-22)12-23-27(6-3)19-14-17(25)8-10-21(19)29-23;/h7-14H,4-6H2,1-3H3;1H/q+1;/p-1


name: Phenol, 4,4',4''-(1-methyl-1-propanyl-3-ylidene)tris 2-(1,1-dimethylethyl)-5-methyl-
cas: 1843-03-4
chemspiderid: 83868
dtxsid: DTXSID0038883
formula: C37H52O3
inchikey: PRWJPWSKLXYEPD-UHFFFAOYSA-N
norman_susdat_id: NS00009422
pubchem_cid: 92905
smiles: CC(CC(c1cc(c(O)cc1C)C(C)(C)C)c1cc(c(O)cc1C)C(C)(C)C)c1cc(c(O)cc1C)C(C)(C)C
inchi:
InChI=1S/C37H52O3/c1-21(25-18-29(35(5,6)7)32(38)15-22(25)2)14-28(26-19-30(36(8,9)10)33(39)16-23(26)3)27-20-31(37(11,12)13)34(40)17-24(27)4/h15-21,28,38-40H,14H2,1-13H3


name: Octabenzone
cas: 1843-05-6
chebiid: CHEBI:135390
chemspiderid: 15020
dtxsid: DTXSID9027441
formula: C21H26O3
inchikey: QUAMTGJKVDWJEQ-UHFFFAOYSA-N
norman_susdat_id: NS00005821
pubchem_cid: 15797
smiles: CCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1
inchi:
InChI=1S/C21H26O3/c1-2-3-4-5-6-10-15-24-18-13-14-19(20(22)16-18)21(23)17-11-8-7-9-12-17/h7-9,11-14,16,22H,2-6,10,15H2,1H3


name: 2-(1,3,2-oxathiastibolan-2-ylthio)ethanol
cas: 1843-42-1
formula: C4H9O2S2Sb
inchikey: UXLPASPDTIQGLQ-UHFFFAOYSA-L
norman_susdat_id: NS00082348
smiles: OCCS[Sb]1OCCS1
inchi:
InChI=1/C2H6OS.C2H5OS.Sb/c2*3-1-2-4;/h3-4H,1-2H2;4H,1-2H2;/q;-1;+3/p-2/rC4H9O2S2Sb/c5-1-3-7-9-6-2-4-8-9/h5H,1-4H2


name: Glucoputranjivin
cas: 18432-16-1
chemspiderid: 390217
dtxsid: DTXSID00331588
formula: C10H19NO9S2
inchikey: WGIQZGDVCQDPTG-GBMPTNJUSA-N
norman_susdat_id: NS00094608
pubchem_cid: 441524
smiles: CC(C)C(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=NOS(O)(=O)=O
inchi:
InChI=1S/C10H19NO9S2/c1-4(2)9(11-20-22(16,17)18)21-10-8(15)7(14)6(13)5(3-12)19-10/h4-8,10,12-15H,3H2,1-2H3,(H,16,17,18)/t5-,6-,7+,8-,10+/m1/s1


name: 4,4'''-bis[(2-butyloctyl)oxy]-1,1':4',1'':4'',1'''-quaterphenyl
cas: 18434-08-7
dtxsid: DTXSID40939825
formula: C48H66O2
inchikey: JMLYWQXLJYRYHL-UHFFFAOYSA-N
norman_susdat_id: NS00051754
pubchem_cid: 86734
smiles: O(C=1C=CC(=CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4=CC=C(OCC(CCCC)CCCCCC)C=C4)CC(CCCC)CCCCCC
inchi:
InChI=1/C48H66O2/c1-5-9-13-15-19-39(17-11-7-3)37-49-47-33-29-45(30-34-47)43-25-21-41(22-26-43)42-23-27-44(28-24-42)46-31-35-48(36-32-46)50-38-40(18-12-8-4)20-16-14-10-6-2/h21-36,39-40H,5-20,37-38H2,1-4H3


name: (carboxymethyl)trimethylammonium 3,7,12-trioxocholan-24-oate
cas: 18434-76-9
formula: C24H33O5.C5H12NO2
inchikey: YNVSAIFCSHZUCV-PCUWZHPXSA-N
norman_susdat_id: NS00085386
inchi:
InChI=1/C24H34O5.C5H11NO2/c1-13(4-7-21(28)29)16-5-6-17-22-18(12-20(27)24(16,17)3)23(2)9-8-15(25)10-14(23)11-19(22)26;1-6(2,3)4-5(7)8/h13-14,16-18,22H,4-12H2,1-3H3,(H,28,29);4H2,1-3H3

smiles:
C[C@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](CC(=O)[C@]12C)[C@@]4(C)CCC(=O)CC4CC3=O.C[N+](C)(C)CC(=O)O


name: 1-Triacontene
cas: 18435-53-5
chemspiderid: 79064
dtxsid: DTXSID5066378
formula: C30H60
inchikey: WMZHDICSCDKPFS-UHFFFAOYSA-N
norman_susdat_id: NS00021785
pubchem_cid: 87639
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C
inchi:
InChI=1S/C30H60/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-30H2,2H3


name: 1-Dotriacontene
cas: 18435-55-7
chemspiderid: 79065
dtxsid: DTXSID60171563
formula: C32H64
inchikey: WMRDPJYQERQCEP-UHFFFAOYSA-N
norman_susdat_id: NS00026050
pubchem_cid: 87640
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=C
inchi:
InChI=1S/C32H64/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-32H2,2H3


name: Coenzyme A, trilithium salt
cas: 18439-24-2
formula: C21H36N7O16P3S.3Li
inchikey: QSCBPHBAFBVXRK-UHFFFAOYSA-K
norman_susdat_id: NS00085083
smiles: [Li]OP(=O)(O)OC1C(O)C(OC1COP(=O)(O[Li])OP(=O)(O[Li])OCC(C)(C)C(O)C(=O)NCCC(=O)NCCS)n2cnc3c(N)ncnc23
inchi:
InChI=1/C21H36N7O16P3S.3Li/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28;;;/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35);;;/q;3*+1/p-3/rC21H33Li3N7O16P3S/c1-21(2,16(34)19(35)27-4-3-12(32)26-5-6-51)8-41-50(39,46-24)47-49(38,45-23)40-7-11-15(43-48(36,37)44-22)14(33)20(42-11)31-10-30-13-17(25)28-9-29-18(13)31/h9-11,14-16,20,33-34,51H,3-8H2,1-2H3,(H,26,32)(H,27,35)(H,36,37)(H2,25,28,29)


name: 4,4'-Dihydroxytetraphenylmethane
cas: 1844-01-5
chemspiderid: 203015
dtxsid: DTXSID70283308
formula: C25H20O2
inchikey: BATCUENAARTUKW-UHFFFAOYSA-N
norman_susdat_id: NS00014629
pubchem_cid: 232881
smiles: Oc1ccc(cc1)C(c1ccc(cc1)O)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C25H20O2/c26-23-15-11-21(12-16-23)25(19-7-3-1-4-8-19,20-9-5-2-6-10-20)22-13-17-24(27)18-14-22/h1-18,26-27H


name: Octadecane, 1,1'-thiobis-
cas: 1844-09-3
chemspiderid: 67184
dtxsid: DTXSID9062019
formula: C36H74S1
inchikey: IHWDIGHWDQPQMQ-UHFFFAOYSA-N
norman_susdat_id: NS00026051
pubchem_cid: 74609
smiles: CCCCCCCCCCCCCCCCCCSCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C36H74S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3


name: 2,16a,20,25-tetrahydroxy-9ß-methyl-10a,-19-norlanosta-1,5,23(E)-triene-3,11,22-trione 25-acetate
cas: 18444-66-1
formula: C32H44O8
inchikey: NDYMQXYDSVBNLL-UHFFFAOYSA-N
norman_susdat_id: NS00052193
pubchem_cid: 2887
smiles: O=C(OC(C=CC(=O)C(O)(C)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C(=O)CC12C)C)(C)C)C
inchi:
InChI=1/C32H44O8/c1-17(33)40-27(2,3)13-12-23(36)32(9,39)25-21(35)15-29(6)22-11-10-18-19(14-20(34)26(38)28(18,4)5)31(22,8)24(37)16-30(25,29)7/h10,12-14,19,21-22,25,34-35,39H,11,15-16H2,1-9H3


name: Gefitinib
cas: 184475-35-2
chebiid: CHEBI:49668
chemspiderid: 110217
dtxsid: DTXSID8041034
formula: C22H24Cl1F1N4O3
inchikey: XGALLCVXEZPNRQ-UHFFFAOYSA-N
norman_susdat_id: NS00006312
pubchem_cid: 123631
smiles: COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCN1CCOCC1
inchi:
InChI=1S/C22H24ClFN4O3/c1-29-20-13-19-16(12-21(20)31-8-2-5-28-6-9-30-10-7-28)22(26-14-25-19)27-15-3-4-18(24)17(23)11-15/h3-4,11-14H,2,5-10H2,1H3,(H,25,26,27)


name: (9Z)-N,N-Bis(2-hydroxyethyl)-N-methyloctadec-9-en-1-aminium chloride
cas: 18448-65-2
chemspiderid: 5289155
dtxsid: DTXSID5051818
formula: C23H48N1O2
inchikey: SIIMROTZKDKRFD-KHPPLWFESA-N
norman_susdat_id: NS00013942
pubchem_cid: 6912877
smiles: [Cl-].CCCCCCCCC=C/CCCCCCCC[N+](C)(CCO)CCO
inchi:
InChI=1S/C23H48NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(2,20-22-25)21-23-26;/h10-11,25-26H,3-9,12-23H2,1-2H3;1H/q+1;/p-1/b11-10-;


name: Madecassic Acid
cas: 18449-41-7
chebiid: CHEBI:73058
dtxsid: DTXSID70939838
formula: C30H48O6
inchikey: PRAUVHZJPXOEIF-AOLYGAPISA-N
norman_susdat_id: NS00071060
pubchem_cid: 73412
inchi:
InChI=1S/C30H48O6/c1-16-9-10-30(25(35)36)12-11-28(5)18(22(30)17(16)2)7-8-21-26(3)13-20(33)24(34)27(4,15-31)23(26)19(32)14-29(21,28)6/h7,16-17,19-24,31-34H,8-15H2,1-6H3,(H,35,36)/t16-,17+,19-,20-,21-,22+,23-,24+,26-,27+,28-,29-,30+/m1/s1

smiles:
C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)[C@@](C)(CO)[C@@H]5[C@H](O)C[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)O)CC[C@H]1C


name: Nafoxidine
cas: 1845-11-0
chebiid: CHEBI:34881
chemspiderid: 4263
dtxsid: DTXSID7022386
formula: C29H31N1O2
inchikey: JEYWNNAZDLFBFF-UHFFFAOYSA-N
norman_susdat_id: NS00005540
pubchem_cid: 4416
smiles: COc1ccc2C(=C(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1
inchi:
InChI=1S/C29H31NO2/c1-31-26-14-16-28-24(21-26)11-15-27(22-7-3-2-4-8-22)29(28)23-9-12-25(13-10-23)32-20-19-30-17-5-6-18-30/h2-4,7-10,12-14,16,21H,5-6,11,15,17-20H2,1H3


name: Taxinine B
cas: 18457-44-8
chemspiderid: 10055179
formula: C37H44O11
inchikey: SLJNSLIEGINNEE-UWUOQQJISA-N
norman_susdat_id: NS00093874
pubchem_cid: 8230739
smiles:
CC1=C2[C@H]([C@@H]([C@@]3([C@H](C[C@@H](C(=C)[C@H]3[C@@H]([C@@H](C2(C)C)CC1=O)OC(=O)C)OC(=O)/C=C/C4=CC=CC=C4)OC(=O)C)C)OC(=O)C)OC(=O)C


name: 1-Ethyl-1,4-dihydro-7-hydroxy-6-methoxy-4-oxoquinoline-3-carboxylic acid
cas: 18465-38-8
chemspiderid: 4588335
dtxsid: DTXSID80171606
formula: C13H13N1O5
inchikey: ISLQOPMMYRNQEI-UHFFFAOYSA-N
norman_susdat_id: NS00026061
pubchem_cid: 5483939
smiles: CCn1cc(C(=O)O)c(=O)c2c1cc(O)c(OC)c2
inchi:
InChI=1S/C13H13NO5/c1-3-14-6-8(13(17)18)12(16)7-4-11(19-2)10(15)5-9(7)14/h4-6,15H,3H2,1-2H3,(H,17,18)


name: GLYCERYL LINOLENATE
cas: 18465-99-1
chebiid: CHEBI:75610
chemspiderid: 4518847
formula: C21H36O4
inchikey: GGJRAQULURVTAJ-PDBXOOCHSA-N
norman_susdat_id: NS00013704
pubchem_cid: 5367328
smiles: CCC=C/C/C=CCC=C/CCCCCCCC(=O)OCC(O)CO
inchi:
InChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h3-4,6-7,9-10,20,22-23H,2,5,8,11-19H2,1H3/b4-3-,7-6-,10-9-


name: Carabersat
cas: 184653-84-7
chemspiderid: NA
dtxsid: DTXSID6047319
formula: C20H20F1N1O4
inchikey: RCLXAPJEFHPYEG-UHFFFAOYSA-N
norman_susdat_id: NS00015663
pubchem_cid: 18385573
smiles: CC(=O)C1=CC2=C(C=C1)OC(C(C2NC(=O)C3=CC=C(C=C3)F)O)(C)C
inchi:
InChI=1S/C20H20FNO4/c1-11(23)13-6-9-16-15(10-13)17(18(24)20(2,3)26-16)22-19(25)12-4-7-14(21)8-5-12/h4-10,17-18,24H,1-3H3,(H,22,25)


name: SODIUM METHYL MYRIS- TOYL TAURATE
cas: 18469-44-8
chemspiderid: 79083
formula: C17H35N1O4S1
inchikey: FAZHDESNRICLLX-UHFFFAOYSA-N
norman_susdat_id: NS00014071
pubchem_cid: 87661
smiles: [Na+].CCCCCCCCCCCCCC(=O)N(C)CC[S]([O-])(=O)=O
inchi:
InChI=1S/C17H35NO4S.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(19)18(2)15-16-23(20,21)22;/h3-16H2,1-2H3,(H,20,21,22);/q;+1/p-1


cas: 1847-24-1
formula: C19H17ClFN3O5S.Na
inchikey: OTEANHMVDHZOPB-UHFFFAOYSA-M
norman_susdat_id: NS00081676
smiles: Cc1onc(c1C(=O)NC2C3SC(C)(C)C(N3C2=O)C(=O)O[Na])c4c(F)cccc4Cl
name:
Sodium [2S-(2a,5a,6ß)]-6-[[[3-(2-chloro-6-fluorophenyl)-5-methylisoxazol-4-yl]carbonyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

inchi:
InChI=1/C19H17ClFN3O5S.Na/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);/q;+1/p-1


name: Sodium oleyl sulfate
cas: 1847-55-8
chemspiderid: 4896084
dtxsid: DTXSID9042411
formula: C18H36O4S1
inchikey: ZUBJEHHGZYTRPH-MDZDMXLPSA-N
norman_susdat_id: NS00014085
pubchem_cid: 6365279
smiles: [Na+].CCCCCCCC/C=C/CCCCCCCCO[S]([O-])(=O)=O
inchi:
InChI=1S/C18H36O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;/h9-10H,2-8,11-18H2,1H3,(H,19,20,21);/q;+1/p-1/b10-9+;


name: SODIUM LAURYL SUL- FOACETATE
cas: 1847-58-1
chemspiderid: 15025
formula: C14H28O5S1
inchikey: LBIZZGIYNNLXQN-UHFFFAOYSA-N
norman_susdat_id: NS00014068
pubchem_cid: 15804
smiles: [Na+].CCCCCCCCCCCCOC(=O)C[S]([O-])(=O)=O
inchi:
InChI=1S/C14H28O5S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-19-14(15)13-20(16,17)18;/h2-13H2,1H3,(H,16,17,18);/q;+1/p-1


name: 17ß-hydroxyestr-4-en-3-one 17-(cyclohexanecarboxylate)
cas: 18470-94-5
dtxsid: DTXSID10939877
formula: C25H36O3
inchikey: AQMOXBCKEKPDRF-YNFNDHOQSA-N
norman_susdat_id: NS00052214
pubchem_cid: 9929986
smiles: O=C1C=C2CCC3C(CCC4(C)C(OC(=O)C5CCCCC5)CCC34)C2CC1
inchi:
InChI=1/C25H36O3/c1-25-14-13-20-19-10-8-18(26)15-17(19)7-9-21(20)22(25)11-12-23(25)28-24(27)16-5-3-2-4-6-16/h15-16,19-23H,2-14H2,1H3


name: Ditazole
cas: 18471-20-0
chebiid: CHEBI:135383
dtxsid: DTXSID3022954
formula: C19H20N2O3
inchikey: UUCMDZWCRNZCOY-UHFFFAOYSA-N
norman_susdat_id: NS00052215
pubchem_cid: 29088
smiles: OCCN(C1=NC(C=2C=CC=CC2)=C(O1)C=3C=CC=CC3)CCO
inchi:
InChI=1/C19H20N2O3/c22-13-11-21(12-14-23)19-20-17(15-7-3-1-4-8-15)18(24-19)16-9-5-2-6-10-16/h1-10,22-23H,11-14H2


cas: 18472-51-0
chebiid: CHEBI:28312
dtxsid: DTXSID5034519
formula: C34H54Cl2N10O14
inchikey: YZIYKJHYYHPJIB-UUPCJSQJSA-N
norman_susdat_id: NS00075801
name:
D-Gluconic acid, compd. with N1,N14-bis(4-chlorophenyl)-3,12-diimino-2,4,11,13-tetraazatetradecanediimidamide (2:1)

inchi:
InChI=1S/C22H30Cl2N10.2C6H12O7/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;2*7-1-2(8)3(9)4(10)5(11)6(12)13/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*2-5,7-11H,1H2,(H,12,13)/t;2*2-,3-,4+,5-/m.11/s1

smiles:
OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O.ClC1=CC=C(NC(=N)NC(=N)NCCCCCCNC(=N)NC(=N)NC2=CC=C(Cl)C=C2)C=C1


name: 5-amino-9-(dimethylamino)-10-methylbenzo[a]phenoxazin-7-ium chloride
cas: 18472-89-4
dtxsid: DTXSID10939892
formula: C19H18N3O
inchikey: ABASSERKNXVFAX-UHFFFAOYSA-M
norman_susdat_id: NS00052281
pubchem_cid: NA
smiles: [Cl-].N=1C=2C=C(C(=CC2[O+]=C3C=C(N)C=4C=CC=CC4C13)N(C)C)C
inchi:
InChI=1/C19H18N3O.ClH/c1-11-8-15-17(10-16(11)22(2)3)23-18-9-14(20)12-6-4-5-7-13(12)19(18)21-15;/h4-10H,20H2,1-3H3;1H/q+1;/p-1


name: Allyltriphenylphosphonium chloride
cas: 18480-23-4
formula: C21H20P.Cl
inchikey: FKMJROWWQOJRJX-UHFFFAOYSA-M
norman_susdat_id: NS00085471
smiles: [Cl-].C=CC[P+](c1ccccc1)(c2ccccc2)c3ccccc3
inchi:
InChI=1/C21H20P.ClH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h2-17H,1,18H2;1H/q+1;/p-1


name: (2-ethoxy-1-methyl-2-oxoethyl)triphenylphosphonium chloride
cas: 18480-27-8
formula: C23H24O2P.Cl
inchikey: LISODHVYQSLGJD-UHFFFAOYSA-M
norman_susdat_id: NS00085472
smiles: [Cl-].CCOC(=O)C(C)[P+](c1ccccc1)(c2ccccc2)c3ccccc3
inchi:
InChI=1/C23H24O2P.ClH/c1-3-25-23(24)19(2)26(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22;/h4-19H,3H2,1-2H3;1H/q+1;/p-1


cas: 18481-23-7
formula: C32H46N8O6S2
inchikey: LXWNASBXWRCQRD-UHFFFAOYSA-N
norman_susdat_id: NS00052602
pubchem_cid: 57370821
smiles: O=C(OCCC(SSC(=C(NC(=O)CC1=CN=C(N=C1N)C)C)CCOC(=O)CCC)=C(NC(=O)CC2=CN=C(N=C2N)C)C)CCC
name:
Dithiobis[3-[1-[[(4-amino-2-methylpyrimidin-5-yl)methyl]formylamino]ethylidene]propane-3,1-diyl] dibutyrate

inchi:
InChI=1/C32H46N8O6S2/c1-7-9-29(43)45-13-11-25(19(3)37-27(41)15-23-17-35-21(5)39-31(23)33)47-48-26(12-14-46-30(44)10-8-2)20(4)38-28(42)16-24-18-36-22(6)40-32(24)34/h17-18H,7-16H2,1-6H3,(H,37,41)(H,38,42)(H2,33,35,39)(H2,34,36,40)


cas: 18481-26-0
dtxsid: DTXSID70939898
formula: C20H24N4O4S
inchikey: KZZQSQPXTWSHLI-UHFFFAOYSA-N
norman_susdat_id: NS00053544
pubchem_cid: 86754
smiles: O=CN(C(=C(SCOC(=O)C=1C=CC=CC1)CCO)C)CC2=CN=C(N=C2N)C
name:
4-[(4-amino-2-methyl-5-pyrimidinylmethyl)(formyl)amino]-3-(2-hydroxyethyl)-2-thiapent-3-enyl benzoate

inchi:
InChI=1/C20H24N4O4S/c1-14(24(12-26)11-17-10-22-15(2)23-19(17)21)18(8-9-25)29-13-28-20(27)16-6-4-3-5-7-16/h3-7,10,12,25H,8-9,11,13H2,1-2H3,(H2,21,22,23)


name: Metochalcone
cas: 18493-30-6
chemspiderid: 4795331
dtxsid: DTXSID9046152
formula: C18H18O4
inchikey: HVAKUYCEWDPRCA-IZZDOVSWSA-N
norman_susdat_id: NS00010317
pubchem_cid: 6063342
smiles: COC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)OC)OC
inchi:
InChI=1S/C18H18O4/c1-20-14-7-4-13(5-8-14)6-11-17(19)16-10-9-15(21-2)12-18(16)22-3/h4-12H,1-3H3/b11-6+


cas: 185039-91-2
formula: C21H16Cl2N4O2
inchikey: ZIQFYVPVJZEOFS-UHFFFAOYSA-N
norman_susdat_id: NS00068925
pubchem_cid: 447700
smiles: Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cccc(CO)c3)nc21
name:
6-(2,6-dichlorophenyl)-2-{[3-(hydroxymethyl)phenyl]amino}-8-methyl-7h,8h-pyrido[2,3-d]pyrimidin-7-one

inchi:
InChI=1S/C21H16Cl2N4O2/c1-27-19-13(9-15(20(27)29)18-16(22)6-3-7-17(18)23)10-24-21(26-19)25-14-5-2-4-12(8-14)11-28/h2-10,28H,11H2,1H3,(H,24,25,26)


name: THJ2201 N-pentanoic acid metabolite
cas: 1850409-18-5
chemspiderid: NA
formula: C23H20N2O3
inchikey: XAOOYUZHRQLPHJ-UHFFFAOYSA-N
norman_susdat_id: NS00018611
pubchem_cid: 129514131
smiles: O=C(C1=CC=CC2=C1C=CC=C2)C3=NN(CCCCC(O)=O)C4=C3C=CC=C4
inchi:
InChI=1S/C23H20N2O3/c26-21(27)14-5-6-15-25-20-13-4-3-11-19(20)22(24-25)23(28)18-12-7-9-16-8-1-2-10-17(16)18/h1-4,7-13H,5-6,14-15H2,(H,26,27)


name: Decoquinate
cas: 18507-89-6
chemspiderid: 27081
dtxsid: DTXSID5046851
formula: C24H35N1O5
inchikey: JHAYEQICABJSTP-UHFFFAOYSA-N
norman_susdat_id: NS00010345
pubchem_cid: 29112
smiles: CCCCCCCCCCOc1cc2c(cc1OCC)ncc(c2O)C(=O)OCC
inchi:
InChI=1S/C24H35NO5/c1-4-7-8-9-10-11-12-13-14-30-21-15-18-20(16-22(21)28-5-2)25-17-19(23(18)26)24(27)29-6-3/h15-17H,4-14H2,1-3H3,(H,25,26)


name: Acotiamide
cas: 185106-16-5
chebiid: CHEBI:34523
dtxsid: DTXSID40870163
formula: C21H30N4O5S
inchikey: TWHZNAUBXFZMCA-UHFFFAOYSA-N
norman_susdat_id: NS00068788
pubchem_cid: 5282338
smiles: COc1cc(O)c(C(=O)Nc2nc(C(=O)NCCN(C(C)C)C(C)C)cs2)cc1OC
inchi:
InChI=1S/C21H30N4O5S/c1-12(2)25(13(3)4)8-7-22-20(28)15-11-31-21(23-15)24-19(27)14-9-17(29-5)18(30-6)10-16(14)26/h9-13,26H,7-8H2,1-6H3,(H,22,28)(H,23,24,27)


name: Iodosulfuron-methyl
cas: 185119-76-0
chemspiderid: 9202762
dtxsid: DTXSID1043968
formula: C14H14I1N5O6S1
inchikey: VWGAYSCWLXQJBQ-UHFFFAOYSA-N
norman_susdat_id: NS00000651
pubchem_cid: 11027582
smiles: COC(=O)C1=C(C=C(I)C=C1)S(=O)(=O)NC(=O)NC1=NC(OC)=NC(C)=N1
eea_notation: CAS_185119-76-0
inchi:
InChI=1S/C14H14IN5O6S/c1-7-16-12(19-14(17-7)26-3)18-13(22)20-27(23,24)10-6-8(15)4-5-9(10)11(21)25-2/h4-6H,1-3H3,(H2,16,17,18,19,20,22)


name: Hydrocortisone 21-(sodium sulphate)
cas: 1852-36-4
formula: C21H30O8S.Na
inchikey: DJKQHUMDQFOLHE-UHFFFAOYSA-M
norman_susdat_id: NS00082394
smiles: CC12CCC(=O)C=C1CCC3C4CCC(O)(C(=O)COS(=O)(=O)O[Na])C4(C)CC(O)C23
inchi:
InChI=1/C21H30O8S.Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H,26,27,28);/q;+1/p-1/rC21H29NaO8S/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-29-31(27,28)30-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,24,26H,3-8,10-11H2,1-2H3


name: Androsterone glucuronide
cas: 1852-43-3
chebiid: CHEBI:28832
chemspiderid: 102793
formula: C25H38O8
inchikey: VFUIRAVTUVCQTF-BSOWLZGZSA-N
norman_susdat_id: NS00014793
pubchem_cid: 114833
smiles: O=C5C4(C)CCC3C(CCC2CC(OC1OC(C(=O)O)C(O)C(O)C1O)CCC23C)C4CC5
inchi:
InChI=1S/C25H38O8/c1-24-9-7-13(32-23-20(29)18(27)19(28)21(33-23)22(30)31)11-12(24)3-4-14-15-5-6-17(26)25(15,2)10-8-16(14)24/h12-16,18-21,23,27-29H,3-11H2,1-2H3,(H,30,31)/t12-,13+,14-,15-,16-,18-,19-,20+,21-,23+,24-,25-/m0/s1


name: 3alpha-Androstanediol
cas: 1852-53-5
chebiid: CHEBI:36713
chemspiderid: 10826
dtxsid: DTXSID3022378
formula: C19H32O2
inchikey: CBMYJHIOYJEBSB-KHOSGYARSA-N
norman_susdat_id: NS00026075
pubchem_cid: 15818
smiles: C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CC[C@@H]2O
inchi:
InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13+,14-,15-,16-,17-,18-,19-/m0/s1


name: Ls-134442
cas: 185220-03-5
dtxsid: DTXSID30332220
formula: C13H11ClN4OS
inchikey: ATCRIOJPQXDFNY-ZETCQYMHSA-N
norman_susdat_id: NS00068165
pubchem_cid: 446309
smiles: C[C@H](Sc1nc(N)cc(Cl)n1)c1cc2ccoc2cn1
inchi:
InChI=1S/C13H11ClN4OS/c1-7(20-13-17-11(14)5-12(15)18-13)9-4-8-2-3-19-10(8)6-16-9/h2-7H,1H3,(H2,15,17,18)/t7-/m0/s1


name: Methyl pentacosafluorotridecanoate
cas: 185230-63-1
dtxsid: DTXSID50895761
formula: C14H3F25O2
inchikey: MCVGSSHSKHYZGK-UHFFFAOYSA-N
norman_susdat_id: NS00110743
smiles: COC(=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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14H3F25O2/c1-41-2(40)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h1H3


name: 4-[(2-hydroxy-1-naphthyl)azo]-m-toluenesulphonic acid
cas: 18524-46-4
dtxsid: DTXSID0048002
formula: C17H14N2O4S
inchikey: XAWKEKKJKHHMHE-UHFFFAOYSA-N
norman_susdat_id: NS00052251
pubchem_cid: 3015917
smiles: O=S(=O)(O)C1=CC(=CC=C1N=NC2=C(O)C=CC=3C=CC=CC32)C
inchi:
InChI=1/C17H14N2O4S/c1-11-6-8-14(16(10-11)24(21,22)23)18-19-17-13-5-3-2-4-12(13)7-9-15(17)20/h2-10,20H,1H3,(H,21,22,23)


cas: 18524-94-2
dtxsid: DTXSID60939948
formula: C17H26O10
inchikey: AMBQHHVBBHTQBF-UHFFFAOYSA-N
norman_susdat_id: NS00052625
pubchem_cid: 601562
smiles: O=C(OC)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1CC(O)C3C
name:
Methyl [1S-(1a,4aa,6a,7a,7aa)]-1-(ß-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylate

inchi:
InChI=1/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3


name: 4-Aminotetrahydrobiopterin
cas: 185243-78-1
dtxsid: DTXSID9040394
formula: C9H16N6O2
inchikey: NDSDGUULXHNXGA-RPDRRWSUSA-N
norman_susdat_id: NS00071975
pubchem_cid: 5287516
smiles: C[C@H](O)[C@H](O)[C@H]1CNc2nc(N)nc(N)c2N1
inchi:
InChI=1S/C9H16N6O2/c1-3(16)6(17)4-2-12-8-5(13-4)7(10)14-9(11)15-8/h3-4,6,13,16-17H,2H2,1H3,(H5,10,11,12,14,15)/t3-,4+,6-/m0/s1


name: 3-(2-ammonioethyl)-5-hydroxy-1H-indolium maleate
cas: 18525-25-2
formula: C10H12N2O.C4H4O4
inchikey: LTEXAUVYLLADEB-BTJKTKAUSA-N
norman_susdat_id: NS00086549
smiles: [NH3+]CCC1=C[NH+]c2ccc(O)cc12.[O-]C(=O)\C=C/C(=O)[O-]
inchi:
InChI=1/C10H12N2O.C4H4O4/c11-4-3-7-6-12-10-2-1-8(13)5-9(7)10;5-3(6)1-2-4(7)8/h1-2,5-6,12-13H,3-4,11H2;1-2H,(H,5,6)(H,7,8)


name: Bismuth tris(2-oxobornane-3-carboxylate)
cas: 18530-30-8
formula: C11H16O3
inchikey: JCOYMGIXANDIIB-UHFFFAOYSA-K
norman_susdat_id: NS00085506
inchi:
InChI=1/3C11H16O3.Bi.3H/c3*1-10(2)6-4-5-11(10,3)8(12)7(6)9(13)14;;;;/h3*6-7H,4-5H2,1-3H3,(H,13,14);;;;/q;;;+3;;;/p-3/r3C11H16O3.BiH3/c3*1-10(2)6-4-5-11(10,3)8(12)7(6)9(13)14;/h3*6-7H,4-5H2,1-3H3,(H,13,14);1H3/q;;;+3/p-3

smiles:
[BiH3+3].CC1(C)C2CCC1(C)C(=O)C2C(=O)[O-].CC3(C)C4CCC3(C)C(=O)C4C(=O)[O-].CC5(C)C6CCC5(C)C(=O)C6C(=O)[O-]


name: Norea
cas: 18530-56-8
chemspiderid: 15696
dtxsid: DTXSID6040292
formula: C13H22N2O1
inchikey: YGLMVCVJLXREAK-MTVMDMGHSA-N
norman_susdat_id: NS00021786
pubchem_cid: 12313523
smiles: CN(C)C(=O)NC1CC2CC1C1CCCC21
inchi:
InChI=1S/C13H22N2O/c1-15(2)13(16)14-12-7-8-6-11(12)10-5-3-4-9(8)10/h8-12H,3-7H2,1-2H3,(H,14,16)/t8-,9-,10+,11-,12-/m0/s1


name: [1,1'-Binaphthalene]-2,2'-diol
cas: 18531-99-2
chemspiderid: 11269
dtxsid: DTXSID9060526
formula: C20H14O2
inchikey: PPTXVXKCQZKFBN-UHFFFAOYSA-N
norman_susdat_id: NS00005394
pubchem_cid: 11762
smiles: Oc1ccc2ccccc2c1-c1c(O)ccc2ccccc12
inchi:
InChI=1S/C20H14O2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H


name: Ethyl 3-phenyl-N-[1-[(phenylmethoxy)carbonyl]-L-prolyl]-L-alaninate
cas: 18532-06-4
dtxsid: DTXSID10939958
formula: C24H28N2O5
inchikey: UXKHJBYWTMMOJN-SFTDATJTSA-N
norman_susdat_id: NS00053547
pubchem_cid: 21116253
smiles: O=C(OCC=1C=CC=CC1)N2CCCC2C(=O)NC(C(=O)OCC)CC=3C=CC=CC3
inchi:
InChI=1/C24H28N2O5/c1-2-30-23(28)20(16-18-10-5-3-6-11-18)25-22(27)21-14-9-15-26(21)24(29)31-17-19-12-7-4-8-13-19/h3-8,10-13,20-21H,2,9,14-17H2,1H3,(H,25,27)


name: N-dodecyl-4-methoxybenzamide
cas: 1854-15-5
chemspiderid: 2796212
formula: C20H33N1O2
inchikey: KVEZPQNBMSQMQU-UHFFFAOYSA-N
norman_susdat_id: NS00007831
pubchem_cid: 3558529
smiles: CCCCCCCCCCCCNC(=O)c1ccc(OC)cc1
inchi:
InChI=1S/C20H33NO2/c1-3-4-5-6-7-8-9-10-11-12-17-21-20(22)18-13-15-19(23-2)16-14-18/h13-16H,3-12,17H2,1-2H3,(H,21,22)


name: Rivoglitazone
cas: 185428-18-6
dtxsid: DTXSID00870164
formula: C20H19N3O4S
inchikey: XMSXOLDPMGMWTH-KRWDZBQOSA-N
norman_susdat_id: NS00069843
smiles: COc1ccc2nc(COc3ccc(C[C@@H]4SC(=O)NC4=O)cc3)n(C)c2c1
inchi:
InChI=1S/C20H19N3O4S/c1-23-16-10-14(26-2)7-8-15(16)21-18(23)11-27-13-5-3-12(4-6-13)9-17-19(24)22-20(25)28-17/h3-8,10,17H,9,11H2,1-2H3,(H,22,24,25)/t17-/m0/s1


name: (1,1,3,3-tetramethyldisiloxane-1,3-diyl)dipropane-1,3-diyl dimethacrylate
cas: 18547-93-8
dtxsid: DTXSID10939973
formula: C18H34O5Si2
inchikey: ZIFLDVXQTMSDJE-UHFFFAOYSA-N
norman_susdat_id: NS00053563
pubchem_cid: 87703
smiles: O=C(OCCC[Si](O[Si](C)(C)CCCOC(=O)C(=C)C)(C)C)C(=C)C
inchi:
InChI=1/C18H34O5Si2/c1-15(2)17(19)21-11-9-13-24(5,6)23-25(7,8)14-10-12-22-18(20)16(3)4/h1,3,9-14H2,2,4-8H3


name: Vinblastine sulfate
cas: 18556-44-0
dtxsid: DTXSID7047853
formula: C46H60N4O13S
inchikey: KDQAABAKXDWYSZ-PNYVAJAMSA-N
norman_susdat_id: NS00076398
inchi:
InChI=1S/C46H58N4O9.H2O4S/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7;1-5(2,3)4/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3;(H2,1,2,3,4)/t28-,37-,38+,39+,42-,43+,44+,45-,46-;/m0./s1

smiles:
OS(O)(=O)=O.CC[C@]1(O)C[C@@H]2C[N@](C1)CCC1=C(NC3=CC=CC=C13)[C@@](C2)(C(=O)OC)C1=C(OC)C=C2N(C)[C@@H]3[C@]4(CCN5CC=C[C@](CC)([C@@H]45)[C@@H](OC(C)=O)[C@]3(O)C(=O)OC)C2=C1


name: (S)-1,2,3,4-tetrahydro-6,7-dihydroxy-1-(3,4,5-trimethoxybenzyl)isoquinolinium chloride
cas: 18559-59-6
dtxsid: DTXSID1048756
formula: C19H23NO5
inchikey: UHSXRTHJCJGEKG-UQKRIMTDSA-N
norman_susdat_id: NS00052254
pubchem_cid: 5581
smiles: [Cl-].OC=1C=C2C(=CC1O)C(CC3=CC(OC)=C(OC)C(OC)=C3)[NH2+]CC2
inchi:
InChI=1/C19H23NO5.ClH/c1-23-17-7-11(8-18(24-2)19(17)25-3)6-14-13-10-16(22)15(21)9-12(13)4-5-20-14;/h7-10,14,20-22H,4-6H2,1-3H3;1H


name: [[(3ß)-cholest-5-en-3-yl]oxy]trimethylsilane
cas: 1856-05-9
dtxsid: DTXSID70883761
formula: C30H54OSi
inchikey: CBVJJGRSRFXUPK-HBOBSPHKSA-N
norman_susdat_id: NS00046492
pubchem_cid: 11633962
smiles: O(C1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)[Si](C)(C)C
inchi:
InChI=1/C30H54OSi/c1-21(2)10-9-11-22(3)26-14-15-27-25-13-12-23-20-24(31-32(6,7)8)16-18-29(23,4)28(25)17-19-30(26,27)5/h12,21-22,24-28H,9-11,13-20H2,1-8H3


cas: 1856-98-0
dtxsid: DTXSID30883762
formula: C33H42N4O6
inchikey: KDCCOOGTVSRCHX-MBTHVWNTSA-N
norman_susdat_id: NS00046541
pubchem_cid: 5795125
smiles: O=C1NC(C(=C1C)CC)CC=2NC(C=C3N=C(C(=C3CCC(=O)O)C)CC4NC(=O)C(=C4C)CC)=C(C2C)CCC(=O)O
name:
3,18-diethyl-1,4,5,15,16,19,22,24-octahydro-2,7,13,17-tetramethyl-1,19-dioxo-21H-biline-8,12-dipropionic acid

inchi:
InChI=1/C33H42N4O6/c1-7-20-19(6)32(42)37-27(20)14-25-18(5)23(10-12-31(40)41)29(35-25)15-28-22(9-11-30(38)39)17(4)24(34-28)13-26-16(3)21(8-2)33(43)36-26/h15,26-27,35H,7-14H2,1-6H3,(H,36,43)(H,37,42)(H,38,39)(H,40,41)


name: Bms 189961
cas: 185629-22-5
formula: C23H26FNO4
inchikey: AANFHDFOMFRLLR-IBGZPJMESA-N
norman_susdat_id: NS00068856
pubchem_cid: 445460
smiles: CC1(C)CCC(C)(C)c2cc([C@H](O)C(=O)Nc3ccc(C(=O)O)cc3F)ccc21
inchi:
InChI=1S/C23H26FNO4/c1-22(2)9-10-23(3,4)16-11-13(5-7-15(16)22)19(26)20(27)25-18-8-6-14(21(28)29)12-17(18)24/h5-8,11-12,19,26H,9-10H2,1-4H3,(H,25,27)(H,28,29)/t19-/m0/s1


cas: 185630-70-0
dtxsid: DTXSID60882945
norman_susdat_id: NS00110993
name:
Alcohols, C8-14, .gamma.-.omega.-perfluoro, reaction products with epichlorohydrin and propylene oxide, trimethylamine-quaternized


cas: 185630-90-4
dtxsid: DTXSID90882877
norman_susdat_id: NS00112022
name:
9-Octadecenoic acid (Z-)-, reaction products with N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-hydroxyethyl)-1-octanesulfonamide


cas: 185701-88-6
dtxsid: DTXSID10882697
norman_susdat_id: NS00109258
name:
2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanoyl fluoride, polymer with trifluoro(trifluoromethyl)oxirane reaction products with 3-(ethenyldimethylsilyl), N-methylbenzeneamine


name: (4-methoxybenzyl)triphenylphosphonium chloride
cas: 18583-41-0
dtxsid: DTXSID10940004
formula: C26H24OP
inchikey: YQXBNCFNXOFWLR-UHFFFAOYSA-M
norman_susdat_id: NS00052286
pubchem_cid: 2773651
smiles: [Cl-].O(C1=CC=C(C=C1)C[P+](C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4)C
inchi:
InChI=1/C26H24OP.ClH/c1-27-23-19-17-22(18-20-23)21-28(24-11-5-2-6-12-24,25-13-7-3-8-14-25)26-15-9-4-10-16-26;/h2-20H,21H2,1H3;1H/q+1;/p-1


name: 1,1,5,5-tetramethyl-3,3-diphenyl-1,5-divinyltrisiloxane
cas: 18586-22-6
dtxsid: DTXSID4066385
formula: C20H28O2Si3
inchikey: OOGRAMOPTBMVKO-UHFFFAOYSA-N
norman_susdat_id: NS00052672
pubchem_cid: 87707
smiles: O([Si](O[Si](C=C)(C)C)(C=1C=CC=CC1)C=2C=CC=CC2)[Si](C=C)(C)C
inchi:
InChI=1/C20H28O2Si3/c1-7-23(3,4)21-25(22-24(5,6)8-2,19-15-11-9-12-16-19)20-17-13-10-14-18-20/h7-18H,1-2H2,3-6H3


name: Diphenyl[2-(triethoxysilyl)ethyl]phosphine
cas: 18586-39-5
dtxsid: DTXSID9066386
formula: C20H29O3PSi
inchikey: HLXCYTXLQJWQFG-UHFFFAOYSA-N
norman_susdat_id: NS00052287
pubchem_cid: 87708
smiles: O(CC)[Si](OCC)(OCC)CCP(C=1C=CC=CC1)C=2C=CC=CC2
inchi:
InChI=1/C20H29O3PSi/c1-4-21-25(22-5-2,23-6-3)18-17-24(19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16H,4-6,17-18H2,1-3H3


name: (3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)silanetriol
cas: 185911-29-9
dtxsid: DTXSID10896673
formula: C8H7F13O3Si
inchikey: UXYQQIJQHQGVRW-UHFFFAOYSA-N
norman_susdat_id: NS00109444
smiles: O[Si](O)(O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C8H7F13O3Si/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h22-24H,1-2H2


name: 2-cyano-3-hydroxy-n-[4-(trifluoromethyl)phenyl]hept-2-en-6-ynamide
cas: 185915-33-7
formula: C15H11F3N2O2
inchikey: IRELROQHIPLASX-SEYXRHQNSA-N
norman_susdat_id: NS00072991
pubchem_cid: 54686843
smiles: C#CCC/C(O)=C(C#N)C(=O)Nc1ccc(C(F)(F)F)cc1
inchi:
InChI=1S/C15H11F3N2O2/c1-2-3-4-13(21)12(9-19)14(22)20-11-7-5-10(6-8-11)15(16,17)18/h1,5-8,21H,3-4H2,(H,20,22)/b13-12-


name: Tofimilast
cas: 185954-27-2
dtxsid: DTXSID20870166
formula: C18H21N5S
inchikey: DHCOPPHTVOXDKU-UHFFFAOYSA-N
norman_susdat_id: NS00068166
pubchem_cid: 9896267
smiles: CCc1nn(C2CCCC2)c2c1CCn1c(-c3cccs3)nnc1-2
inchi:
InChI=1S/C18H21N5S/c1-2-14-13-9-10-22-17(15-8-5-11-24-15)19-20-18(22)16(13)23(21-14)12-6-3-4-7-12/h5,8,11-12H,2-4,6-7,9-10H2,1H3


name: 1-Hexanamine, 2-ethyl-N,N-bis(2-ethylhexyl)-
cas: 1860-26-0
chemspiderid: 92770
dtxsid: DTXSID40862765
formula: C24H51N1
inchikey: BZUDVELGTZDOIG-UHFFFAOYSA-N
norman_susdat_id: NS00007883
pubchem_cid: 102705
smiles: CCCCC(CC)CN(CC(CC)CCCC)CC(CC)CCCC
inchi:
InChI=1S/C24H51N/c1-7-13-16-22(10-4)19-25(20-23(11-5)17-14-8-2)21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3


name: 4H-3,1-Benzoxazin-4-one, 2,2'-(1,4-phenylene)bis-
cas: 18600-59-4
chemspiderid: 2353690
dtxsid: DTXSID40864845
formula: C22H12N2O4
inchikey: BBITXNWQALLODC-UHFFFAOYSA-N
norman_susdat_id: NS00003546
pubchem_cid: 3098422
smiles: O=c1oc(nc2ccccc12)-c1ccc(cc1)-c1nc2ccccc2c(=O)o1
inchi:
InChI=1S/C22H12N2O4/c25-21-15-5-1-3-7-17(15)23-19(27-21)13-9-11-14(12-10-13)20-24-18-8-4-2-6-16(18)22(26)28-20/h1-12H


cas: 1860-12-7
formula: C24H15Cl2N5O3
norman_susdat_id: NS00107555
name:
4-[(2,5-dichlorophenyl)azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxynaphthalene-2-carboxamide


name: [3-(dodecyloxy)-2-hydroxypropyl]bis(2-hydroxyethyl)methylammonium methyl sulphate
cas: 18602-17-0
dtxsid: DTXSID60885057
formula: C20H43NO4
inchikey: HZDWIISFHGAMMK-UHFFFAOYSA-N
norman_susdat_id: NS00052674
pubchem_cid: NA
smiles: O=S(=O)([O-])OC.OCCC([NH3+])(CCO)CC(O)COCCCCCCCCCCCC
inchi:
InChI=1/C20H43NO4.CH4O4S/c1-2-3-4-5-6-7-8-9-10-11-16-25-18-19(24)17-20(21,12-14-22)13-15-23;1-5-6(2,3)4/h19,22-24H,2-18,21H2,1H3;1H3,(H,2,3,4)


name: alpha-l-Sorbopyranose, 1,2-O-(1-methylethylidene)-
cas: 18604-34-7
chemspiderid: 79143
dtxsid: DTXSID10171836
formula: C9H16O6
inchikey: NCPKAWHTYZABFG-XQXXSGGOSA-N
norman_susdat_id: NS00026090
pubchem_cid: 87724
smiles: CC1(C)OC[C@@]2(O1)OC[C@H](O)[C@@H](O)[C@@H]2O
inchi:
InChI=1S/C9H16O6/c1-8(2)14-4-9(15-8)7(12)6(11)5(10)3-13-9/h5-7,10-12H,3-4H2,1-2H3/t5-,6+,7-,9-/m0/s1


name: AC1MCPYN
cas: 186043-52-7
chemspiderid: 2055448
dtxsid: DTXSID40379363
formula: C48H12F90N3O6P3
inchikey: MJLMFELZHDEELW-UHFFFAOYSA-N
norman_susdat_id: NS00018834
pubchem_cid: 2775075
inchi:
InChI=1S/C48H12F90N3O6P3/c49-7(50,13(61,62)19(73,74)25(85,86)31(97,98)37(109,110)43(121,122)123)1-142-148(143-2-8(51,52)14(63,64)20(75,76)26(87,88)32(99,100)38(111,112)44(124,125)126)139-149(144-3-9(53,54)15(65,66)21(77,78)27(89,90)33(101,102)39(113,114)45(127,128)129,145-4-10(55,56)16(67,68)22(79,80)28(91,92)34(103,104)40(115,116)46(130,131)132)141-150(140-148,146-5-11(57,58)17(69,70)23(81,82)29(93,94)35(105,106)41(117,118)47(133,134)135)147-6-12(59,60)18(71,72)24(83,84)30(95,96)36(107,108)42(119,120)48(136,137)138/h1-6H2

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COP1(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=NP(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=NP(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=N1


name: Deacetylnimbin
cas: 18609-16-0
chemspiderid: 154149
dtxsid: DTXSID00940038
formula: C28H34O8
inchikey: CTBHKOAPXBDFPX-UHFFFAOYSA-N
norman_susdat_id: NS00067903
pubchem_cid: 10505484
inchi:
InChI=1S/C28H34O8/c1-14-16(15-8-10-35-13-15)11-17-21(14)28(4)18(12-20(30)33-5)27(3)19(29)7-9-26(2,25(32)34-6)23(27)22(31)24(28)36-17/h7-10,13,16-18,22-24,31H,11-12H2,1-6H3


name: Benfluralin
cas: 1861-40-1
chebiid: CHEBI:132878
chemspiderid: 2229
dtxsid: DTXSID3023899
formula: C13H16F3N3O4
inchikey: SMDHCQAYESWHAE-UHFFFAOYSA-N
norman_susdat_id: NS00005161
pubchem_cid: 2319
smiles: CCCCN(CC)c1c(cc(cc1[N+]([O-])=O)C(F)(F)F)[N+]([O-])=O
eea_notation: CAS_1861-40-1
inchi:
InChI=1S/C13H16F3N3O4/c1-3-5-6-17(4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3


name: N,N-Dibenzyl-p-anisidine
cas: 18613-55-3
chemspiderid: 79145
dtxsid: DTXSID10171856
formula: C21H21N1O1
inchikey: CFNHDBSFANUKKQ-UHFFFAOYSA-N
norman_susdat_id: NS00026092
pubchem_cid: 87727
smiles: COc1ccc(cc1)N(Cc1ccccc1)Cc1ccccc1
inchi:
InChI=1S/C21H21NO/c1-23-21-14-12-20(13-15-21)22(16-18-8-4-2-5-9-18)17-19-10-6-3-7-11-19/h2-15H,16-17H2,1H3


name: 9,10-Anthracenedione, 1-amino-4-hydroxy-2-(4-hydroxyphenoxy)-
cas: 18622-13-4
chemspiderid: 79146
dtxsid: DTXSID8066391
formula: C20H13N1O5
inchikey: JBUBYUZDOUATKW-UHFFFAOYSA-N
norman_susdat_id: NS00026094
pubchem_cid: 87728
smiles: Nc1c(Oc2ccc(O)cc2)cc(O)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C20H13NO5/c21-18-15(26-11-7-5-10(22)6-8-11)9-14(23)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,22-23H,21H2


name: 2,3,6,9-tetrahydro-1,3,7,9-tetramethyl-2,6-dioxo-1H-purinium methyl sulphate
cas: 18623-34-2
dtxsid: DTXSID80940051
formula: C9H14N4O2
inchikey: UENPBBMDBSQLMU-UHFFFAOYSA-N
norman_susdat_id: NS00052675
pubchem_cid: 21122645
smiles: O=C1C2=C(N(C(=O)[NH+]1C)C)N(C)CN2C.O=S(=O)([O-])OC
inchi:
InChI=1/C9H14N4O2.CH4O4S/c1-10-5-11(2)7-6(10)8(14)13(4)9(15)12(7)3;1-5-6(2,3)4/h5H2,1-4H3;1H3,(H,2,3,4)


name: 2'-[17-[(1-oxoheptyl)oxy]androst-4-en-3-ylidene]-2-phenylglycolohydrazide
cas: 18625-33-7
formula: C40H52N2O4
inchikey: PTVXYACXDYZNID-UHFFFAOYSA-N
norman_susdat_id: NS00052288
pubchem_cid: NA
smiles: O=C(OC1CCC2C3CCC4=CC(=NNC(=O)C(O)(C=5C=CC=CC5)C=6C=CC=CC6)CCC4(C)C3CCC12C)CCCCCC
inchi:
InChI=1/C40H52N2O4/c1-4-5-6-13-18-36(43)46-35-22-21-33-32-20-19-30-27-31(23-25-38(30,2)34(32)24-26-39(33,35)3)41-42-37(44)40(45,28-14-9-7-10-15-28)29-16-11-8-12-17-29/h7-12,14-17,27,32-35,45H,4-6,13,18-26H2,1-3H3,(H,42,44)


name: 1-(3,3-dimethyl-2-oxopentanoyl)pyrrolidine-2-carboxylic acid
cas: 186268-78-0
formula: C12H19NO4
inchikey: FOPALECPEUVCTL-QMMMGPOBSA-N
norman_susdat_id: NS00072034
pubchem_cid: 9837656
smiles: CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O
inchi:
InChI=1S/C12H19NO4/c1-4-12(2,3)9(14)10(15)13-7-5-6-8(13)11(16)17/h8H,4-7H2,1-3H3,(H,16,17)/t8-/m0/s1


name: 3-ß,17-a-dihydroxypregn-5-en-20-one 3-acetate
cas: 1863-39-4
dtxsid: DTXSID00940058
formula: C23H34O4
inchikey: IQCNQJXIOWBNAT-KIYFCUGLSA-N
norman_susdat_id: NS00045765
pubchem_cid: 102174
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C3CCC4(O)C(=O)C)C2(C)CC1)C
inchi:
InChI=1/C23H34O4/c1-14(24)23(26)12-9-20-18-6-5-16-13-17(27-15(2)25)7-10-21(16,3)19(18)8-11-22(20,23)4/h5,17-20,26H,6-13H2,1-4H3


name: 5-Fluoro ADBICA
cas: 1863065-82-0
chemspiderid: 29342128
formula: C20H28F1N3O2
inchikey: ITZSOCZDFSHNCL-UHFFFAOYSA-N
norman_susdat_id: NS00017588
pubchem_cid: 119058048
smiles: CC(C)(C)C(C(=O)N)NC(=O)C1=CN(C2=CC=CC=C21)CCCCCF
inchi:
InChI=1S/C20H28FN3O2/c1-20(2,3)17(18(22)25)23-19(26)15-13-24(12-8-4-7-11-21)16-10-6-5-9-14(15)16/h5-6,9-10,13,17H,4,7-8,11-12H2,1-3H3,(H2,22,25)(H,23,26)


name: 5-Fluoro ADB-PINACA
cas: 1863065-90-0
chemspiderid: 29342127
formula: C19H27F1N4O2
inchikey: SOYDDJYBRCNNIT-UHFFFAOYSA-N
norman_susdat_id: NS00017534
pubchem_cid: 119058050
smiles: CC(C)(C)C(C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CCCCCF
inchi:
InChI=1S/C19H27FN4O2/c1-19(2,3)16(17(21)25)22-18(26)15-13-9-5-6-10-14(13)24(23-15)12-8-4-7-11-20/h5-6,9-10,16H,4,7-8,11-12H2,1-3H3,(H2,21,25)(H,22,26)


name: MAB-CHMINACA
cas: 1863065-92-2
chemspiderid: 32741710
formula: C21H30N4O2
inchikey: ZWCCSIUBHCZKOY-UHFFFAOYSA-N
norman_susdat_id: NS00017911
pubchem_cid: 77565944
smiles: CC(C)(C)C(C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CC3CCCCC3
inchi:
InChI=1S/C21H30N4O2/c1-21(2,3)18(19(22)26)23-20(27)17-15-11-7-8-12-16(15)25(24-17)13-14-9-5-4-6-10-14/h7-8,11-12,14,18H,4-6,9-10,13H2,1-3H3,(H2,22,26)(H,23,27)


cas: 186321-96-0
dtxsid: DTXSID60107286
norman_susdat_id: NS00076119
name:
Fatty acids, tall-oil, reaction products with bisphenol A, epichlorohydrin, glycidyl tolyl ether and triethylenetetramine


name: N-[(1-[1,1'-biphenyl]-4-yl-1-methylethoxy)carbonyl]-L-valine, compound with cyclohexylamine (1:1)
cas: 18635-00-2
dtxsid: DTXSID30940061
formula: C21H25NO4
inchikey: QKSNECXABWULCS-FERBBOLQSA-N
norman_susdat_id: NS00052539
pubchem_cid: 44149783
smiles: O=C(OC(C=1C=CC(=CC1)C=2C=CC=CC2)(C)C)NC(C(=O)O)C(C)C.NC1CCCCC1
inchi:
InChI=1/C21H25NO4.C6H13N/c1-14(2)18(19(23)24)22-20(25)26-21(3,4)17-12-10-16(11-13-17)15-8-6-5-7-9-15;7-6-4-2-1-3-5-6/h5-14,18H,1-4H3,(H,22,25)(H,23,24);6H,1-5,7H2


cas: 18635-01-3
dtxsid: DTXSID90940062
formula: C27H36N2O6
inchikey: FODCTJLJXCYSMY-FTBISJDPSA-N
norman_susdat_id: NS00052540
pubchem_cid: 44148283
smiles: O=C(OC(C)(C)C)NCCCCC(NC(=O)OC(C=1C=CC(=CC1)C=2C=CC=CC2)(C)C)C(=O)O.N(C1CCCCC1)C2CCCCC2
name:
N2-[(1-[1,1'-biphenyl]-4-yl-1-methylethoxy)carbonyl]-N6-(tert-butoxycarbonyl)-L-lysine, compound with dicyclohexylamine (1:1)

inchi:
InChI=1/C27H36N2O6.C12H23N/c1-26(2,3)34-24(32)28-18-10-9-13-22(23(30)31)29-25(33)35-27(4,5)21-16-14-20(15-17-21)19-11-7-6-8-12-19;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h6-8,11-12,14-17,22H,9-10,13,18H2,1-5H3,(H,28,32)(H,29,33)(H,30,31);11-13H,1-10H2


cas: 18635-03-5
dtxsid: DTXSID50940063
formula: C25H25NO4
inchikey: BYGHBDSVSZKNFZ-FTBISJDPSA-N
norman_susdat_id: NS00052541
pubchem_cid: 14039218
smiles: O=C(OC(C=1C=CC(=CC1)C=2C=CC=CC2)(C)C)NC(C(=O)O)CC=3C=CC=CC3.N(C1CCCCC1)C2CCCCC2
name:
N-[(1-[1,1'-biphenyl]-4-yl-1-methylethoxy)carbonyl]-3-phenyl-L-alanine, compound with dicyclohexylamine (1:1)

inchi:
InChI=1/C25H25NO4.C12H23N/c1-25(2,21-15-13-20(14-16-21)19-11-7-4-8-12-19)30-24(29)26-22(23(27)28)17-18-9-5-3-6-10-18;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-16,22H,17H2,1-2H3,(H,26,29)(H,27,28);11-13H,1-10H2


cas: 18635-05-7
dtxsid: DTXSID10940064
formula: C21H25NO4S
inchikey: ISELHPFGNSKCLX-FERBBOLQSA-N
norman_susdat_id: NS00052289
pubchem_cid: 14039216
smiles: O=C(OC(C=1C=CC(=CC1)C=2C=CC=CC2)(C)C)NC(C(=O)O)CCSC.N(C1CCCCC1)C2CCCCC2
name:
N-[(1-[1,1'-biphenyl]-4-yl-1-methylethoxy)carbonyl]-L-methionine, compound with dicyclohexylamine (1:1)

inchi:
InChI=1/C21H25NO4S.C12H23N/c1-21(2,26-20(25)22-18(19(23)24)13-14-27-3)17-11-9-16(10-12-17)15-7-5-4-6-8-15;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,24);11-13H,1-10H2


name: N2-[(1-[1,1'-biphenyl]-4-yl-1-methylethoxy)carbonyl]-L-asparagine
cas: 18635-06-8
formula: C20H22N2O5
inchikey: JCYLLFHJPWLHKD-INIZCTEOSA-N
norman_susdat_id: NS00052677
pubchem_cid: 14039233
smiles: O=C(OC(C=1C=CC(=CC1)C=2C=CC=CC2)(C)C)NC(C(=O)O)CC(=O)N
inchi:
InChI=1/C20H22N2O5/c1-20(2,27-19(26)22-16(18(24)25)12-17(21)23)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3,(H2,21,23)(H,22,26)(H,24,25)


name: Ingliforib
cas: 186392-65-4
chebiid: CHEBI:167777
chemspiderid: 4953797
dtxsid: DTXSID4047252
formula: C23H24Cl1N3O5
inchikey: GVDRRZOORHCTAN-MJUUVYJYSA-N
norman_susdat_id: NS00015660
pubchem_cid: 6451325
smiles: C1C(C(CN1C(=O)C(C(CC2=CC=CC=C2)NC(=O)C3=CC4=C(N3)C=CC(=C4)Cl)O)O)O
inchi:
InChI=1S/C23H24ClN3O5/c24-15-6-7-16-14(9-15)10-18(25-16)22(31)26-17(8-13-4-2-1-3-5-13)21(30)23(32)27-11-19(28)20(29)12-27/h1-7,9-10,17,19-21,25,28-30H,8,11-12H2,(H,26,31)/t17-,19-,20+,21+/m0/s1


cas: 186397-57-9
dtxsid: DTXSID90882913
norman_susdat_id: NS00112025
name:
2-Propenoic acid, 2-methyl-, 2-(dimethylamino)ethyl ester, polymers with .gamma.-.omega.-perfluoro-C10-16-alkyl acrylate and vinyl acetate


cas: 186406-49-5
dtxsid: DTXSID70893567
norman_susdat_id: NS00111375
name:
1,3,5,2,4,6-Triazatriphosphorine, 2,2,4,4,6,6-hexahydro-2,2,4,4,6,6-hexakis[(2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctyl)oxy]-


name: Behenic acid, 1,2,3-propanetriol ester
cas: 18641-57-1
chemspiderid: 56470
dtxsid: DTXSID40171900
formula: C69H134O6
inchikey: DMBUODUULYCPAK-UHFFFAOYSA-N
norman_susdat_id: NS00009763
pubchem_cid: 62726
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C69H134O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-67(70)73-64-66(75-69(72)63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)65-74-68(71)62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h66H,4-65H2,1-3H3


name: Psoralidin
cas: 18642-23-4
chebiid: CHEBI:8616
chemspiderid: 4445118
dtxsid: DTXSID20171903
formula: C20H16O5
inchikey: YABIJLLNNFURIJ-UHFFFAOYSA-N
norman_susdat_id: NS00018352
pubchem_cid: 5281806
smiles: CC(=CCC1=C(C=C2C(=C1)C3=C(C4=C(O3)C=C(C=C4)O)C(=O)O2)O)C
inchi:
InChI=1S/C20H16O5/c1-10(2)3-4-11-7-14-17(9-15(11)22)25-20(23)18-13-6-5-12(21)8-16(13)24-19(14)18/h3,5-9,21-22H,4H2,1-2H3


name: 4,4'-methylenebis[N-(2,3-epoxypropyl)-N-methylaniline]
cas: 18643-32-8
dtxsid: DTXSID20940095
formula: C21H26N2O2
inchikey: CXXISLZOPXKTTK-UHFFFAOYSA-N
norman_susdat_id: NS00053605
pubchem_cid: 86771
smiles: O1CC1CN(C2=CC=C(C=C2)CC3=CC=C(C=C3)N(C)CC4OC4)C
inchi:
InChI=1/C21H26N2O2/c1-22(12-20-14-24-20)18-7-3-16(4-8-18)11-17-5-9-19(10-6-17)23(2)13-21-15-25-21/h3-10,20-21H,11-15H2,1-2H3


cas: 18643-47-5
chemspiderid: 79157
dtxsid: DTXSID8066395
formula: C37H44N2O6
inchikey: ZSDDKJNSRHOOHU-UHFFFAOYSA-N
norman_susdat_id: NS00026098
pubchem_cid: 87739
smiles: CCC(C)(C)c1ccc(OCCCCNC(=O)c2c(O)c3c(cccc3)c(Oc3ccc(cc3)[N+](=O)[O-])c2)c(c1)C(C)(C)CC
name:
2-Naphthalenecarboxamide, N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-(4-nitrophenoxy)-

inchi:
InChI=1S/C37H44N2O6/c1-7-36(3,4)25-15-20-32(31(23-25)37(5,6)8-2)44-22-12-11-21-38-35(41)30-24-33(28-13-9-10-14-29(28)34(30)40)45-27-18-16-26(17-19-27)39(42)43/h9-10,13-20,23-24,40H,7-8,11-12,21-22H2,1-6H3,(H,38,41)


name: Cp-320626
cas: 186430-23-9
formula: C23H23ClFN3O3
inchikey: YDCGVASFVACWKF-NRFANRHFSA-N
norman_susdat_id: NS00068358
pubchem_cid: 444746
smiles: O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(O)CC1)c1cc2cc(Cl)ccc2[nH]1
inchi:
InChI=1S/C23H23ClFN3O3/c24-16-3-6-19-15(12-16)13-20(26-19)22(30)27-21(11-14-1-4-17(25)5-2-14)23(31)28-9-7-18(29)8-10-28/h1-6,12-13,18,21,26,29H,7-11H2,(H,27,30)/t21-/m0/s1


name: Gpi-1046
cas: 186452-09-5
dtxsid: DTXSID00332191
formula: C20H28N2O4
inchikey: OQAHHWOPVDDWHD-INIZCTEOSA-N
norman_susdat_id: NS00069343
pubchem_cid: 445501
smiles: CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1
inchi:
InChI=1S/C20H28N2O4/c1-4-20(2,3)17(23)18(24)22-12-6-10-16(22)19(25)26-13-7-9-15-8-5-11-21-14-15/h5,8,11,14,16H,4,6-7,9-10,12-13H2,1-3H3/t16-/m0/s1


name: Zibotentan
cas: 186497-07-4
chebiid: CHEBI:94573
dtxsid: DTXSID70870171
formula: C19H16N6O4S
inchikey: FJHHZXWJVIEFGJ-UHFFFAOYSA-N
norman_susdat_id: NS00068495
pubchem_cid: 9910224
smiles: COc1nc(C)cnc1NS(=O)(=O)c1cccnc1-c1ccc(-c2nnco2)cc1
inchi:
InChI=1S/C19H16N6O4S/c1-12-10-21-17(19(23-12)28-2)25-30(26,27)15-4-3-9-20-16(15)13-5-7-14(8-6-13)18-24-22-11-29-18/h3-11H,1-2H3,(H,21,25)


name: (16alpha,17beta)-3-(Benzyloxy)estra-1,3,5(10)-triene-16,17-diol
cas: 18650-87-8
chemspiderid: 3156
dtxsid: DTXSID70582803
formula: C25H30O3
inchikey: GDUPBUZZJUIEDX-UHFFFAOYSA-N
norman_susdat_id: NS00005801
pubchem_cid: 3271
smiles: CC12CCC3C(CCc4cc(OCc5ccccc5)ccc34)C1CC(O)C2O
inchi:
InChI=1S/C25H30O3/c1-25-12-11-20-19-10-8-18(28-15-16-5-3-2-4-6-16)13-17(19)7-9-21(20)22(25)14-23(26)24(25)27/h2-6,8,10,13,20-24,26-27H,7,9,11-12,14-15H2,1H3


name: JE-2147
cas: 186538-00-1
dtxsid: DTXSID30171914
formula: C32H37N3O5S
inchikey: CUFQBQOBLVLKRF-RZDMPUFOSA-N
norman_susdat_id: NS00069626
pubchem_cid: 446837
smiles: Cc1ccccc1CNC(=O)[C@H]1N(C(=O)[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2cccc(O)c2C)CSC1(C)C
inchi:
InChI=1S/C32H37N3O5S/c1-20-11-8-9-14-23(20)18-33-30(39)28-32(3,4)41-19-35(28)31(40)27(37)25(17-22-12-6-5-7-13-22)34-29(38)24-15-10-16-26(36)21(24)2/h5-16,25,27-28,36-37H,17-19H2,1-4H3,(H,33,39)(H,34,38)/t25-,27-,28+/m0/s1


name: 1-deoxy-1-(methylamino)-D-glucitol a,5-diacetamido-2,4,6-triiodo-m-toluate
cas: 18656-21-8
formula: C12H11I3N2O4.C7H17NO5
inchikey: UYIPQECISAQMIU-WZTVWXICSA-N
norman_susdat_id: NS00085597
smiles: CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CC(=O)NCc1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I
inchi:
InChI=1/C12H11I3N2O4.C7H17NO5/c1-4(18)16-3-6-8(13)7(12(20)21)10(15)11(9(6)14)17-5(2)19;1-8-2-4(10)6(12)7(13)5(11)3-9/h3H2,1-2H3,(H,16,18)(H,17,19)(H,20,21);4-13H,2-3H2,1H3


cas: 186599-45-1
dtxsid: DTXSID40895634
formula: C16H22F17N3Si
inchikey: CXRUQQUTBBWWQF-UHFFFAOYSA-N
norman_susdat_id: NS00110386
smiles: CN(C)[Si](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)(N(C)C)N(C)C
name:
1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)-N,N,N',N',N'',N''-hexamethylsilanetriamine

inchi:
InChI=1S/C16H22F17N3Si/c1-34(2)37(35(3)4,36(5)6)8-7-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h7-8H2,1-6H3


name: N,N,N',N',N'',N''-Hexamethyl-1-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)silanetriamine
cas: 186599-46-2
dtxsid: DTXSID40692943
formula: C12H22F9N3Si
inchikey: SGBXYLYVROEUTD-UHFFFAOYSA-N
norman_susdat_id: NS00110231
smiles: CN(C)[Si](N(C)C)(N(C)C)C(F)(F)C(F)(F)C(F)(F)CCC(F)(F)F
inchi:
InChI=1S/C12H22F9N3Si/c1-22(2)25(23(3)4,24(5)6)12(20,21)11(18,19)9(13,14)7-8-10(15,16)17/h7-8H2,1-6H3


name: 1-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)-N,N,N',N',1-pentamethylsilanediamine
cas: 186599-47-3
dtxsid: DTXSID50895600
formula: C15H19F17N2Si
inchikey: XCHWSLCPPHNNRO-UHFFFAOYSA-N
norman_susdat_id: NS00110727
smiles: CN(C)[Si](C)(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)N(C)C
inchi:
InChI=1S/C15H19F17N2Si/c1-33(2)35(5,34(3)4)7-6-8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h6-7H2,1-5H3


name: Ic260
cas: 186611-52-9
formula: C18H17NO4
inchikey: JBJYTZXCZDNOJW-JLHYYAGUSA-N
norman_susdat_id: NS00068222
pubchem_cid: 5288600
smiles: COc1cc(OC)c(/C=C2/C(O)=Nc3ccccc32)c(OC)c1
inchi:
InChI=1S/C18H17NO4/c1-21-11-8-16(22-2)14(17(9-11)23-3)10-13-12-6-4-5-7-15(12)19-18(13)20/h4-10H,1-3H3,(H,19,20)/b13-10+


name: Cyclaminorin
cas: 186648-67-9
chemspiderid: 44566606
formula: C47H76O18
inchikey: COSOLZZFQIVEIH-CDLHYRBUSA-N
norman_susdat_id: NS00093704
pubchem_cid: 23339335
smiles:
C[C@@]1(CC[C@@]23CO[C@]4([C@@H]2C1)CC[C@@H]5[C@]6(CC[C@@H](C([C@@H]6CC[C@]5([C@@]4(C[C@H]3O)C)C)(C)C)O[C@H]7[C@@H]([C@H]([C@H](CO7)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)C)C=O


name: Triphenoxyvinylsilane
cas: 18666-65-4
dtxsid: DTXSID3066396
formula: C20H18O3Si
inchikey: ZPDYTBGDYFEGSG-UHFFFAOYSA-N
norman_susdat_id: NS00053630
pubchem_cid: 71435704
smiles: O(C=1C=CC=CC1)C(OC=2C=CC=CC2)=C(OC=3C=CC=CC3)[SiH3]
inchi:
InChI=1/C20H18O3Si/c24-20(23-18-14-8-3-9-15-18)19(21-16-10-4-1-5-11-16)22-17-12-6-2-7-13-17/h1-15H,24H3


name: 1-Chloroacetyl-1,3-dicyclohexyl-urea
cas: 18667-19-1
chemspiderid: 29304746
formula: C15H25Cl1N2O2
inchikey: MOWFYDCENNHXHP-UHFFFAOYSA-N
norman_susdat_id: NS00007103
pubchem_cid: 101418635
smiles: ClCC(=O)N(C1CCCCC1)C(=O)NC1CCCCC1
inchi:
InChI=1S/C15H25ClN2O2/c16-11-14(19)18(13-9-5-2-6-10-13)15(20)17-12-7-3-1-4-8-12/h12-13H,1-11H2,(H,17,20)


name: Tiotropium
cas: 186691-13-4
chemspiderid: 54818
dtxsid: DTXSID5044281
formula: C19H22N1O4S2
inchikey: LERNTVKEWCAPOY-UHFFFAOYSA-N
norman_susdat_id: NS00007395
pubchem_cid: 60831
smiles: C[N+]1(C)C2CC(CC1C1OC21)OC(=O)C(O)(c1cccs1)c1cccs1
inchi:
InChI=1S/C19H22NO4S2/c1-20(2)12-9-11(10-13(20)17-16(12)24-17)23-18(21)19(22,14-5-3-7-25-14)15-6-4-8-26-15/h3-8,11-13,16-17,22H,9-10H2,1-2H3/q+1


name: Seliciclib
cas: 186692-44-4
chebiid: CHEBI:45307
dtxsid: DTXSID20171928
formula: C19H26N6O
inchikey: BTIHMVBBUGXLCJ-OAHLLOKOSA-N
norman_susdat_id: NS00068708
pubchem_cid: 160355
smiles: CC[C@H](CO)Nc1nc(NCc2ccccc2)c2ncn(C(C)C)c2n1
inchi:
InChI=1S/C19H26N6O/c1-4-15(11-26)22-19-23-17(20-10-14-8-6-5-7-9-14)16-18(24-19)25(12-21-16)13(2)3/h5-9,12-13,15,26H,4,10-11H2,1-3H3,(H2,20,22,23,24)/t15-/m1/s1


name: Ethane-1,2-disulphonic acid, compound with 5-(2-chloroethyl)-4-methylthiazole (1:2)
cas: 1867-58-9
formula: C6H8ClNS.1/2C2H6O6S2
inchikey: WFVBVWRCFZCWJU-UHFFFAOYSA-N
norman_susdat_id: NS00081717
smiles: Cc1ncsc1CCCl.Cc2ncsc2CCCl.OS(=O)(=O)CCS(=O)(=O)O
inchi:
InChI=1/2C6H8ClNS.C2H6O6S2/c2*1-5-6(2-3-7)9-4-8-5;3-9(4,5)1-2-10(6,7)8/h2*4H,2-3H2,1H3;1-2H2,(H,3,4,5)(H,6,7,8)


name: Ammonium 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononan-1-oate
cas: 1868-86-6
formula: C9H2F16O2.H3N
inchikey: WCOWRYUAIXGAPL-UHFFFAOYSA-N
norman_susdat_id: NS00082099
smiles: [NH4+].[O-]C(=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
inchi:
InChI=1/C9H2F16O2.H3N/c10-1(11)3(12,13)5(16,17)7(20,21)9(24,25)8(22,23)6(18,19)4(14,15)2(26)27;/h1H,(H,26,27);1H3


name: Ambroxol
cas: 18683-91-5
chebiid: CHEBI:135590
chemspiderid: 2047
dtxsid: DTXSID8022583
formula: C13H18Br2N2O1
inchikey: JBDGDEWWOUBZPM-XYPYZODXSA-N
norman_susdat_id: NS00005443
pubchem_cid: 2132
smiles: Nc1c(Br)cc(Br)cc1CNC1CCC(O)CC1
inchi:
InChI=1S/C13H18Br2N2O/c14-9-5-8(13(16)12(15)6-9)7-17-10-1-3-11(18)4-2-10/h5-6,10-11,17-18H,1-4,7,16H2/t10-,11-


name: Trimethyl(octadecyl)ammonium methyl sulphate
cas: 18684-11-2
formula: C21H46N.CH3O4S
inchikey: WYTNTFGZBBTWNR-UHFFFAOYSA-M
norman_susdat_id: NS00085909
smiles: CCCCCCCCCCCCCCCCCC[N+](C)(C)C.COS(=O)(=O)[O-]
inchi:
InChI=1/C21H46N.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(2,3)4;1-5-6(2,3)4/h5-21H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


name: Glycine, N-ethyl-N-[(heptadecafluorooctyl)sulfonyl]-, ethyl ester
cas: 1869-77-8
chemspiderid: 92308
dtxsid: DTXSID3062027
formula: C14H12F17N1O4S1
inchikey: LMUUXHHNCDERBQ-UHFFFAOYSA-N
norman_susdat_id: NS00011335
pubchem_cid: 102176
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)CC(=O)OCC)C
inchi:
InChI=1S/C14H12F17NO4S/c1-3-32(5-6(33)36-4-2)37(34,35)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29/h3-5H2,1-2H3


name: Dexamethasone 21-(sodium hydrogen phosphate)
cas: 1869-92-7
formula: C22H30FO8P.Na
inchikey: MQRFYYBWKRACSJ-UHFFFAOYSA-M
norman_susdat_id: NS00082062
smiles: CC1CC2C3CCC4=CC(=O)C=CC4(C)C3(F)C(O)CC2(C)C1(O)C(=O)COP(=O)(O)O[Na]
inchi:
InChI=1/C22H30FO8P.Na/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)21(15,23)17(25)10-20(16,3)22(12,27)18(26)11-31-32(28,29)30;/h6-7,9,12,15-17,25,27H,4-5,8,10-11H2,1-3H3,(H2,28,29,30);/q;+1/p-1/rC22H29FNaO8P/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-31-33(29,30)32-24/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3,(H,29,30)


name: (3ß,5ß)-3-[(2,6-dideoxy-ß-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide
cas: 18695-02-8
dtxsid: DTXSID00940159
formula: C29H44O9
inchikey: KISYRRMFQYIIFQ-AGAUEGNUSA-N
norman_susdat_id: NS00048752
pubchem_cid: 16401784
smiles: O=C1OCC(=C1)C2CCC3(O)C4CCC5(O)CC(OC6OC(C)C(O)C(O)C6)CCC5(CO)C4CCC23C
inchi:
InChI=1/C29H44O9/c1-16-25(33)22(31)12-24(37-16)38-18-3-8-27(15-30)20-4-7-26(2)19(17-11-23(32)36-14-17)6-10-29(26,35)21(20)5-9-28(27,34)13-18/h11,16,18-22,24-25,30-31,33-35H,3-10,12-15H2,1-2H3


name: Pafuramidine
cas: 186953-56-0
dtxsid: DTXSID10870377
formula: C20H20N4O3
inchikey: UKOQVLAXCBRRGH-UHFFFAOYSA-N
norman_susdat_id: NS00070244
smiles: CO/N=C(/N)c1ccc(-c2ccc(-c3ccc(/C(N)=NOC)cc3)o2)cc1
inchi:
InChI=1S/C20H20N4O3/c1-25-23-19(21)15-7-3-13(4-8-15)17-11-12-18(27-17)14-5-9-16(10-6-14)20(22)24-26-2/h3-12H,1-2H3,(H2,21,23)(H2,22,24)


name: 2-[3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyloxy]ethyl-trimethylazanium
cas: 18696-26-9
chebiid: CHEBI:16353
dtxsid: DTXSID10171957
formula: C16H24NO5
inchikey: HUJXHFRXWWGYQH-UHFFFAOYSA-O
norman_susdat_id: NS00097137
smiles: C[N+](C)(C)CCOC(=O)/C=C/C1=CC(=C(C(=C1)OC)O)OC
inchi:
InChI=1S/C16H23NO5/c1-17(2,3)8-9-22-15(18)7-6-12-10-13(20-4)16(19)14(11-12)21-5/h6-7,10-11H,8-9H2,1-5H3/p+1


name: Acetochlor ESA
cas: 187022-11-3
chebiid: CHEBI:83452
chemspiderid: 4932268
dtxsid: DTXSID6037483
formula: C14H21N1O5S1
inchikey: HXAIQOCRALNGKB-UHFFFAOYSA-N
norman_susdat_id: NS00000058
pubchem_cid: 6426848
smiles: CCOCN(C(=O)CS(O)(=O)=O)C1=C(C)C=CC=C1CC
eea_notation: CAS_187022-11-3
inchi:
InChI=1S/C14H21NO5S/c1-4-12-8-6-7-11(3)14(12)15(10-20-5-2)13(16)9-21(17,18)19/h6-8H,4-5,9-10H2,1-3H3,(H,17,18,19)


name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl nonafluorobutane-1-sulfonate
cas: 187039-77-6
dtxsid: DTXSID60896002
formula: C12H2F24O3S
inchikey: QVGVUEVPLRVFEE-UHFFFAOYSA-N
norman_susdat_id: NS00111085
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H2F24O3S/c13-2(14,1-39-40(37,38)12(35,36)9(27,28)8(25,26)11(32,33)34)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)10(29,30)31/h1H2


name: N-(2-Carboxyphenyl)phenoxyacetamide
cas: 18704-92-2
dtxsid: DTXSID50171976
formula: C15H13NO4
inchikey: RKNMVALGNSLQQL-UHFFFAOYSA-N
norman_susdat_id: NS00096715
smiles: C1=CC=C(C=C1)OCC(=O)NC2=CC=CC=C2C(=O)O
inchi:
InChI=1S/C15H13NO4/c17-14(10-20-11-6-2-1-3-7-11)16-13-9-5-4-8-12(13)15(18)19/h1-9H,10H2,(H,16,17)(H,18,19)


name: Luliconazole
cas: 187164-19-8
chebiid: CHEBI:34825
dtxsid: DTXSID3048607
formula: C14H9Cl2N3S2
inchikey: YTAOBBFIOAEMLL-REQDGWNSSA-N
norman_susdat_id: NS00069590
pubchem_cid: 3003141
smiles: N#C/C(=C1/SC[C@@H](c2ccc(Cl)cc2Cl)S1)n1ccnc1
inchi:
InChI=1S/C14H9Cl2N3S2/c15-9-1-2-10(11(16)5-9)13-7-20-14(21-13)12(6-17)19-4-3-18-8-19/h1-5,8,13H,7H2/b14-12+/t13-/m0/s1


name: Spinetoram L
cas: 187166-15-0
dtxsid: DTXSID2044341
formula: C43H69NO10
inchikey: KWVYSEWJJXXTEZ-GDMNSMANSA-N
norman_susdat_id: NS00066834
pubchem_cid: 25217966
inchi:
InChI=1S/C43H69NO10/c1-11-27-14-13-15-36(54-38-17-16-35(44(7)8)25(5)50-38)24(4)39(46)34-21-32-30(33(34)22-37(45)52-27)18-23(3)29-19-28(20-31(29)32)53-43-42(48-10)41(49-12-2)40(47-9)26(6)51-43/h18,21,24-33,35-36,38,40-43H,11-17,19-20,22H2,1-10H3/t24-,25-,26+,27+,28-,29+,30-,31-,32-,33+,35+,36+,38+,40+,41-,42-,43+/m1/s1

smiles:
[H][C@@]12C[C@H](C[C@@]1([H])[C@]1([H])C=C3C(=O)[C@H](C)[C@H](CCC[C@H](CC)OC(=O)C[C@@]3([H])[C@]1([H])C=C2C)O[C@@]1([H])CC[C@@H]([C@@H](C)O1)N(C)C)O[C@]1([H])O[C@@H](C)[C@H](OC)[C@@H](OCC)[C@H]1OC


name: Spinetoram J
cas: 187166-40-1
chemspiderid: 34451834
dtxsid: DTXSID3052854
formula: C42H69N1O10
inchikey: GOENIMGKWNZVDA-CGABPWNZSA-N
norman_susdat_id: NS00006766
pubchem_cid: 18772490
inchi:
InChI=1S/C42H69NO10/c1-10-27-13-12-14-35(53-37-18-17-34(43(6)7)24(4)49-37)23(3)38(45)33-21-31-29(32(33)22-36(44)51-27)16-15-26-19-28(20-30(26)31)52-42-41(47-9)40(48-11-2)39(46-8)25(5)50-42/h21,23-32,34-35,37,39-42H,10-20,22H2,1-9H3/t23-,24-,25+,26-,27+,28-,29-,30-,31-,32+,34+,35+,37+,39+,40+,41-,42-/m1/s1

smiles:
CCO[C@H]1[C@@H](OC)[C@H](C)O[C@H](O[C@@H]2C[C@H]3CC[C@H]4[C@@H]5CC(=O)O[C@@H](CC)CCC[C@H](O[C@H]6CC[C@@H]([C@@H](C)O6)N(C)C)[C@@H](C)C(=O)C5=C[C@H]4[C@@H]3C2)[C@@H]1OC


name: Norcocaine
cas: 18717-72-1
chemspiderid: 559083
dtxsid: DTXSID80912319
formula: C16H19N1O4
inchikey: AYDBLCSLKNTEJL-RFQIPJPRSA-N
norman_susdat_id: NS00001162
pubchem_cid: 644007
smiles: COC(=O)[C@@H]1[C@H]2CC[C@@H](C[C@@H]1OC(=O)C1=CC=CC=C1)N2
inchi:
InChI=1S/C16H19NO4/c1-20-16(19)14-12-8-7-11(17-12)9-13(14)21-15(18)10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11-,12+,13-,14+/m0/s1


name: Keracyanin
cas: 18719-76-1
formula: C27H31O15.Cl
inchikey: JCGQHUSHLRRUTM-XYGAWYNKSA-M
norman_susdat_id: NS00100421
inchi:
InChI=1/C27H30O15.ClH/c1-9-19(32)21(34)23(36)26(39-9)38-8-18-20(33)22(35)24(37)27(42-18)41-17-7-12-14(30)5-11(28)6-16(12)40-25(17)10-2-3-13(29)15(31)4-10;/h2-7,9,18-24,26-27,32-37H,8H2,1H3,(H3-,28,29,30,31);1H

smiles:
[Cl-].C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3cc4c(O)cc(O)cc4[o+]c3c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O


name: N-Icosa-5,8,11,14-tetraenoyl-L-serine
cas: 187224-29-9
chemspiderid: 8723891
dtxsid: DTXSID90720346
formula: C23H37N1O4
inchikey: FQUVPTVNRMUOPO-DOFZRALJSA-N
norman_susdat_id: NS00016777
pubchem_cid: 5283390
smiles: CCCCCC=CCC=CCC=CCC=CCCCC(=O)NC(CO)C(=O)O
inchi:
InChI=1S/C23H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(26)24-21(20-25)23(27)28/h6-7,9-10,12-13,15-16,21,25H,2-5,8,11,14,17-20H2,1H3,(H,24,26)(H,27,28)/b7-6-,10-9-,13-12-,16-15-


name: Oseltamivir acid
cas: 187227-45-8
chebiid: CHEBI:73139
chemspiderid: 395929
dtxsid: DTXSID50171996
formula: C14H24N2O4
inchikey: NENPYTRHICXVCS-YNEHKIRRSA-N
norman_susdat_id: NS00000302
pubchem_cid: 44310478
smiles: CCC(CC)O[C@@H]1C=C(C[C@@H]([C@H]1NC(=O)C)N)C(=O)O
inchi:
InChI=1S/C14H24N2O4/c1-4-10(5-2)20-12-7-9(14(18)19)6-11(15)13(12)16-8(3)17/h7,10-13H,4-6,15H2,1-3H3,(H,16,17)(H,18,19)/t11-,12+,13+/m0/s1


name: PA-824
cas: 187235-37-6
dtxsid: DTXSID8041163
formula: C14H12F3N3O5
inchikey: ZLHZLMOSPGACSZ-NSHDSACASA-N
norman_susdat_id: NS00069334
pubchem_cid: 456199
smiles: O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(OC(F)(F)F)cc1)C2
inchi:
InChI=1S/C14H12F3N3O5/c15-14(16,17)25-10-3-1-9(2-4-10)7-23-11-5-19-6-12(20(21)22)18-13(19)24-8-11/h1-4,6,11H,5,7-8H2/t11-/m0/s1


cas: 187246-74-8
formula: C26H57N3O4
norman_susdat_id: NS00101805
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with N-(2-aminomethylethyl)-1,2-propanediamine N-dodecyl N,N,N,N-tetrakis(2-hydroxyethyl) deriv. (4:1)


cas: 18725-28-5
dtxsid: DTXSID00940194
formula: C21H23NO4
inchikey: HELVDZPTQLEDTH-FERBBOLQSA-N
norman_susdat_id: NS00048095
pubchem_cid: 14039259
smiles: O=C(OC(C=1C=CC(=CC1)C=2C=CC=CC2)(C)C)N3CCCC3C(=O)O.N(C1CCCCC1)C2CCCCC2
name:
1-(1-[1,1'-biphenyl]-4-yl-1-methylethyl) hydrogen (S)-pyrrolidine-1,2-dicarboxylate, compound with dicyclohexylamine (1:1)

inchi:
InChI=1/C21H23NO4.C12H23N/c1-21(2,26-20(25)22-14-6-9-18(22)19(23)24)17-12-10-16(11-13-17)15-7-4-3-5-8-15;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h3-5,7-8,10-13,18H,6,9,14H2,1-2H3,(H,23,24);11-13H,1-10H2


name: Bimosiamose
cas: 187269-40-5
dtxsid: DTXSID8048783
formula: C46H54O16
inchikey: RYWCQJDEHXJHRI-XJMXIVSISA-N
norman_susdat_id: NS00073447
pubchem_cid: 9811353
inchi:
InChI=1S/C46H54O16/c47-23-35-39(53)41(55)43(57)45(61-35)59-33-15-13-25(19-31(33)29-11-5-9-27(17-29)21-37(49)50)7-3-1-2-4-8-26-14-16-34(60-46-44(58)42(56)40(54)36(24-48)62-46)32(20-26)30-12-6-10-28(18-30)22-38(51)52/h5-6,9-20,35-36,39-48,53-58H,1-4,7-8,21-24H2,(H,49,50)(H,51,52)/t35-,36-,39-,40-,41+,42+,43+,44+,45+,46+/m1/s1

smiles:
O=C(O)Cc1cccc(-c2cc(CCCCCCc3ccc(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O)c(-c4cccc(CC(=O)O)c4)c3)ccc2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)c1


name: Tinosorb s
cas: 187393-00-6
dtxsid: DTXSID40896984
formula: C38H49N3O5
inchikey: XVAMCHGMPYWHNL-MKPDMIMOSA-N
norman_susdat_id: NS00070518
smiles: CCCC[C@H](CC)COc1ccc(-c2nc(-c3ccc(OC)cc3)nc(-c3ccc(OC[C@H](CC)CCCC)cc3O)n2)c(O)c1
inchi:
InChI=1S/C38H49N3O5/c1-6-10-12-26(8-3)24-45-30-18-20-32(34(42)22-30)37-39-36(28-14-16-29(44-5)17-15-28)40-38(41-37)33-21-19-31(23-35(33)43)46-25-27(9-4)13-11-7-2/h14-23,26-27,42-43H,6-13,24-25H2,1-5H3/t26-,27+


name: 6-Benzylthioguanine
cas: 1874-58-4
chebiid: CHEBI:79781
chemspiderid: 67219
dtxsid: DTXSID40172053
formula: C12H11N5S1
inchikey: JQMGATKUPCKDEG-UHFFFAOYSA-N
norman_susdat_id: NS00026131
pubchem_cid: 74644
smiles: Nc1nc2c([nH]cn2)c(SCc2ccccc2)n1
inchi:
InChI=1S/C12H11N5S/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)


name: Tribenzylchlorosilane
cas: 18740-59-5
dtxsid: DTXSID0066404
formula: C21H21ClSi
inchikey: UTXPCJHKADAFBB-UHFFFAOYSA-N
norman_susdat_id: NS00047399
pubchem_cid: 87774
smiles: Cl[Si](CC=1C=CC=CC1)(CC=2C=CC=CC2)CC=3C=CC=CC3
inchi:
InChI=1/C21H21ClSi/c22-23(16-19-10-4-1-5-11-19,17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21/h1-15H,16-18H2


name: Benzyl 2-ethylhexyl phthalate
cas: 18750-05-5
chemspiderid: 178340
formula: C23H28O4
inchikey: RVBLXUAPXWEIPM-UHFFFAOYSA-N
norman_susdat_id: NS00015596
pubchem_cid: 205831
smiles: CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2
inchi:
InChI=1S/C23H28O4/c1-3-5-11-18(4-2)16-26-22(24)20-14-9-10-15-21(20)23(25)27-17-19-12-7-6-8-13-19/h6-10,12-15,18H,3-5,11,16-17H2,1-2H3


name: Magnesium 9,10-epoxyoctadecanoate
cas: 1876-02-4
dtxsid: DTXSID50940220
formula: C18H34O3
inchikey: MOGLZRQEPQIMMX-UHFFFAOYSA-L
norman_susdat_id: NS00046549
pubchem_cid: 23617583
smiles: [Mg+2].O=C([O-])CCCCCCCC1OC1CCCCCCCC.O=C([O-])CCCCCCCC1OC1CCCCCCCC
inchi:
InChI=1/2C18H34O3.Mg/c2*1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20;/h2*16-17H,2-15H2,1H3,(H,19,20);/q;;+2/p-2


name: Trioctylsilane
cas: 18765-09-8
dtxsid: DTXSID00885071
formula: C24H52Si
inchikey: JBAALNCKQCMFDH-UHFFFAOYSA-N
norman_susdat_id: NS00048112
pubchem_cid: 87780
smiles: CCCCCCCC[SiH](CCCCCCCC)CCCCCCCC
inchi:
InChI=1/C24H52Si/c1-4-7-10-13-16-19-22-25(23-20-17-14-11-8-5-2)24-21-18-15-12-9-6-3/h25H,4-24H2,1-3H3


name: Tetrakis(2-butoxyethyl) orthosilicate
cas: 18765-38-3
dtxsid: DTXSID5066407
formula: C24H52O8Si
inchikey: KWBZWRZCDGHBIQ-UHFFFAOYSA-N
norman_susdat_id: NS00047412
pubchem_cid: 87781
smiles: O(CCO[Si](OCCOCCCC)(OCCOCCCC)OCCOCCCC)CCCC
inchi:
InChI=1/C24H52O8Si/c1-5-9-13-25-17-21-29-33(30-22-18-26-14-10-6-2,31-23-19-27-15-11-7-3)32-24-20-28-16-12-8-4/h5-24H2,1-4H3


name: Antimony(3+) tripropan-2-olate
cas: 18770-47-3
formula: C3H8O.1/3Sb
inchikey: JTTKGGYPHWBQCO-UHFFFAOYSA-N
norman_susdat_id: NS00083016
smiles: [SbH3+3].CC(C)[O-].CC(C)[O-].CC(C)[O-]
inchi:
InChI=1/3C3H7O.Sb.3H/c3*1-3(2)4;;;;/h3*3H,1-2H3;;;;/q3*-1;+3;;;/r3C3H7O.H3Sb/c3*1-3(2)4;/h3*3H,1-2H3;1H3/q3*-1;+3


name: 4-(3-Dodecanyl)benzenesulfonic acid
cas: 18777-54-3
chemspiderid: 30411
dtxsid: DTXSID7058670
formula: C18H30O3S1
inchikey: QJRVOJKLQNSNDB-UHFFFAOYSA-N
norman_susdat_id: NS00014223
pubchem_cid: 29249
smiles: CCCCCCCCCC(CC)C1=CC=C(C=C1)S(O)(=O)=O
inchi:
InChI=1/C18H30O3S/c1-3-5-6-7-8-9-10-11-16(4-2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)


name: 2,3,4'-Trimethoxychalcone
cas: 18778-38-6
chemspiderid: 4503461
formula: C18H18O4
inchikey: IECVLMVZGCYCSZ-FMIVXFBMSA-N
norman_susdat_id: NS00014924
pubchem_cid: 5346378
smiles: COC1=CC=C(C=C1)C(=O)/C=C/C2=C(C(=CC=C2)OC)OC
inchi:
InChI=1S/C18H18O4/c1-20-15-10-7-13(8-11-15)16(19)12-9-14-5-4-6-17(21-2)18(14)22-3/h4-12H,1-3H3/b12-9+


cas: 1878204-24-0
dtxsid: DTXSID30897642
norman_susdat_id: NS00110165
name:
2-Propenoic acid, 2-methyl-, 2-hydroxyethyl ester, polymer with 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: Serpentine (alkaloid)
cas: 18786-24-8
dtxsid: DTXSID40940259
formula: C21H21N2O3
inchikey: WYTGDNHDOZPMIW-UHFFFAOYSA-O
norman_susdat_id: NS00048815
pubchem_cid: 3324650
smiles: O=C(OC)C1=COC(C)C2C[N+]=3C=CC=4C=5C=CC=CC5NC4C3CC12
inchi:
InChI=1/C21H20N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16H,9-10H2,1-2H3/p+1


name: Dexamethasone 21-(3-phenylpropionate)
cas: 1879-72-7
dtxsid: DTXSID90940264
formula: C31H37FO6
inchikey: CTKMBLPPDDQOSU-UHFFFAOYSA-N
norman_susdat_id: NS00046617
pubchem_cid: NA
smiles: O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)COC(=O)CCC=5C=CC=CC5)C4(C)CC(O)C32F)C
inchi:
InChI=1/C31H37FO6/c1-19-15-24-23-11-10-21-16-22(33)13-14-28(21,2)30(23,32)25(34)17-29(24,3)31(19,37)26(35)18-38-27(36)12-9-20-7-5-4-6-8-20/h4-8,13-14,16,19,23-25,34,37H,9-12,15,17-18H2,1-3H3


name: AB-PINACA pentanoic acid metabolite
cas: 1879029-93-2
chemspiderid: 29763742
formula: C18H24N4O4
inchikey: QNEBIXFSJOHXCK-UHFFFAOYSA-N
norman_susdat_id: NS00017255
pubchem_cid: 102334107
smiles: CC(C)C(C(=O)N)NC(=O)C1=NN(C2=CC=CC=C21)CCCCC(=O)O
inchi:
InChI=1S/C18H24N4O4/c1-11(2)15(17(19)25)20-18(26)16-12-7-3-4-8-13(12)22(21-16)10-6-5-9-14(23)24/h3-4,7-8,11,15H,5-6,9-10H2,1-2H3,(H2,19,25)(H,20,26)(H,23,24)


name: 1-Amino-4-(4-amino-2-sulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
cas: 18791-01-0
chemspiderid: 79203
dtxsid: DTXSID00172115
formula: C20H15N3O8S2
inchikey: TUYZCJKTGCNVOA-UHFFFAOYSA-N
norman_susdat_id: NS00026150
pubchem_cid: 87791
smiles: Nc1cc(c(Nc2c3C(=O)c4c(cccc4)C(=O)c3c(N)c(c2)S(=O)(=O)O)cc1)S(=O)(=O)O
inchi:
InChI=1S/C20H15N3O8S2/c21-9-5-6-12(14(7-9)32(26,27)28)23-13-8-15(33(29,30)31)18(22)17-16(13)19(24)10-3-1-2-4-11(10)20(17)25/h1-8,23H,21-22H2,(H,26,27,28)(H,29,30,31)


name: Sodium N-myristoyl-DL-serinate
cas: 18791-25-8
dtxsid: DTXSID30940268
formula: C17H33NO4
inchikey: LYQLUQZODYWBPR-RSAXXLAASA-M
norman_susdat_id: NS00048145
pubchem_cid: 89494
smiles: [Na+].O=C(NC(C(=O)[O-])CO)CCCCCCCCCCCCC
inchi:
InChI=1/C17H33NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(20)18-15(14-19)17(21)22;/h15,19H,2-14H2,1H3,(H,18,20)(H,21,22);/q;+1/p-1


cas: 187935-17-7
formula: C29H48O2
inchikey: NWFOBODUYTUMNC-VPSCEVSQSA-N
norman_susdat_id: NS00072035
pubchem_cid: 10025615
smiles: C=C1/C(=CC=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CC[C@@H](CC)C(C)C)C[C@@H](O)C[C@@H]1O
name:
5-{2-[1-(5-ethyl-6-methylheptan-2-yl)-7a-methyl-octahydro-1h-inden-4-ylidene]ethylidene}-4-methylidenecyclohexane-1,3-diol

inchi:
InChI=1S/C29H48O2/c1-7-22(19(2)3)11-10-20(4)26-14-15-27-23(9-8-16-29(26,27)6)12-13-24-17-25(30)18-28(31)21(24)5/h12-13,19-20,22,25-28,30-31H,5,7-11,14-18H2,1-4,6H3/b23-12+,24-13-/t20-,22-,25-,26-,27+,28+,29-/m1/s1


name: 2-Propanol, 1,3-bis(octadecyloxy)-
cas: 18794-74-6
chemspiderid: 78289
dtxsid: DTXSID9066415
formula: C39H80O3
inchikey: OCBCKLNPFLODGO-UHFFFAOYSA-N
norman_susdat_id: NS00026152
pubchem_cid: 86791
smiles: CCCCCCCCCCCCCCCCCCOCC(O)COCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C39H80O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-37-39(40)38-42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-40H,3-38H2,1-2H3


name: Albaconazole
cas: 187949-02-6
dtxsid: DTXSID3058244
formula: C20H16ClF2N5O2
inchikey: UHIXWHUVLCAJQL-MPBGBICISA-N
norman_susdat_id: NS00068359
pubchem_cid: 208952
smiles: C[C@@H](n1cnc2cc(Cl)ccc2c1=O)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
inchi:
InChI=1S/C20H16ClF2N5O2/c1-12(28-11-25-18-6-13(21)2-4-15(18)19(28)29)20(30,8-27-10-24-9-26-27)16-5-3-14(22)7-17(16)23/h2-7,9-12,30H,8H2,1H3/t12-,20-/m1/s1


name: Quinine acetate
cas: 18797-86-9
chemspiderid: 2339609
dtxsid: DTXSID80940273
formula: C22H26N2O3
inchikey: LBXIBQQYUBUMMK-VYXDICFBSA-N
norman_susdat_id: NS00114101
pubchem_cid: 3082137
smiles: [H][C@@](OC(C)=O)(C1=C2C=C(OC)C=CC2=NC=C1)[C@]1([H])C[C@@]2([H])CCN1C[C@]2([H])C=C
inchi:
InChI=1S/C22H26N2O3/c1-4-15-13-24-10-8-16(15)11-21(24)22(27-14(2)25)18-7-9-23-20-6-5-17(26-3)12-19(18)20/h4-7,9,12,15-16,21-22H,1,8,10-11,13H2,2-3H3/t15-,16+,21-,22+/m0/s1


name: Diindeno[1,2,3-cd:1',2',3'-lm]perylene
cas: 188-94-3
dtxsid: DTXSID40172139
formula: C32H16
inchikey: BKMIWBZIQAAZBD-UHFFFAOYSA-N
norman_susdat_id: NS00041813
pubchem_cid: 96712
smiles: C=1C=CC=2C(C1)=C3C=CC4=C5C=CC6=C7C=CC=CC7=C8C=CC(=C9C=CC2C3=C49)C5=C68
inchi:
InChI=1/C32H16/c1-2-6-18-17(5-1)21-9-13-25-27-15-11-23-19-7-3-4-8-20(19)24-12-16-28(32(27)30(23)24)26-14-10-22(18)29(21)31(25)26/h1-16H


cas: 188012-57-9
norman_susdat_id: NS00076120
name:
Ethanol, 2-amino-, polymer with .alpha.-hydro-.omega.-[(1-oxo-2-propenyl)oxy]poly(oxy-1,2-ethanediyl) ether with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol (3:1)


name: Dicyclohexyl azelate
cas: 18803-77-5
chemspiderid: 79215
dtxsid: DTXSID70172147
formula: C21H36O4
inchikey: WDBJAELSRFRZAG-UHFFFAOYSA-N
norman_susdat_id: NS00026159
pubchem_cid: 87804
smiles: O=C(CCCCCCCC(=O)OC1CCCCC1)OC1CCCCC1
inchi:
InChI=1S/C21H36O4/c22-20(24-18-12-6-4-7-13-18)16-10-2-1-3-11-17-21(23)25-19-14-8-5-9-15-19/h18-19H,1-17H2


name: Nonanedioic acid, dinonyl ester
cas: 18803-78-6
chemspiderid: 79216
dtxsid: DTXSID8066420
formula: C27H52O4
inchikey: KAKCWCBEABKVPK-UHFFFAOYSA-N
norman_susdat_id: NS00026160
pubchem_cid: 87805
smiles: CCCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCCC
inchi:
InChI=1S/C27H52O4/c1-3-5-7-9-11-16-20-24-30-26(28)22-18-14-13-15-19-23-27(29)31-25-21-17-12-10-8-6-4-2/h3-25H2,1-2H3


name: 4-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)oxy]benzoic acid
cas: 188034-84-6
dtxsid: DTXSID00896041
formula: C17H9F17O3
inchikey: SXHOQRUJCYWAHB-UHFFFAOYSA-N
norman_susdat_id: NS00109019
smiles: OC(=O)c1ccc(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc1
inchi:
InChI=1S/C17H9F17O3/c18-10(19,5-6-37-8-3-1-7(2-4-8)9(35)36)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)16(30,31)17(32,33)34/h1-4H,5-6H2,(H,35,36)


name: 6a-fluoro-17,21-dihydroxy-16a-methylpregna-4,9(11)-diene-3,20-dione 21-acetate
cas: 1881-07-8
dtxsid: DTXSID00940295
formula: C24H31FO5
inchikey: YOLRNVJDBSRWRR-MQANLOPGSA-N
norman_susdat_id: NS00045582
pubchem_cid: 102177
smiles: O=C(OCC(=O)C1(O)C(C)CC2C3C(=CCC21C)C4(C(=CC(=O)CC4)C(F)C3)C)C
inchi:
InChI=1/C24H31FO5/c1-13-9-18-16-11-20(25)19-10-15(27)5-7-22(19,3)17(16)6-8-23(18,4)24(13,29)21(28)12-30-14(2)26/h6,10,13,16,18,20,29H,5,7-9,11-12H2,1-4H3


name: Odoroside H
cas: 18810-25-8
chemspiderid: 205840
formula: C30H46O8
inchikey: VPUNMTHWNSJUOG-HYDVPRFCSA-N
norman_susdat_id: NS00093816
pubchem_cid: 178347
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@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)OC)O


name: N-1H-Benzotriazol-5-yl-N'-phenylurea
cas: 18811-70-6
chemspiderid: 79217
dtxsid: DTXSID3066421
formula: C13H11N5O1
inchikey: POZVYOVYIZCFLB-UHFFFAOYSA-N
norman_susdat_id: NS00026161
pubchem_cid: 87806
smiles: O=C(Nc1ccccc1)Nc1cc2n[nH]nc2cc1
inchi:
InChI=1S/C13H11N5O/c19-13(14-9-4-2-1-3-5-9)15-10-6-7-11-12(8-10)17-18-16-11/h1-8H,(H2,14,15,19)(H,16,17,18)


name: Tetraoctadecyl orthosilicate
cas: 18816-28-9
formula: C72H148O4Si
inchikey: KZGQDFWIISLOKP-UHFFFAOYSA-N
norman_susdat_id: NS00048179
pubchem_cid: 13531352
smiles: O(CCCCCCCCCCCCCCCCCC)[Si](OCCCCCCCCCCCCCCCCCC)(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C72H148O4Si/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-69-73-77(74-70-66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,75-71-67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)76-72-68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h5-72H2,1-4H3


name: 7-chloro-1,3-dihydro-1-methyl-5-phenyl-2-oxo-2H-1,4-benzodiazepin-3-yl acetate
cas: 18818-64-9
dtxsid: DTXSID00940311
formula: C18H15ClN2O3
inchikey: PTWWAHZQIATUFG-UHFFFAOYSA-N
norman_susdat_id: NS00047460
pubchem_cid: 86793
smiles: O=C(OC1N=C(C=2C=CC=CC2)C=3C=C(Cl)C=CC3N(C1=O)C)C
inchi:
InChI=1/C18H15ClN2O3/c1-11(22)24-17-18(23)21(2)15-9-8-13(19)10-14(15)16(20-17)12-6-4-3-5-7-12/h3-10,17H,1-2H3


name: Elacytarabine
cas: 188181-42-2
formula: C27H45N3O6
inchikey: FLFGNMFWNBOBGE-FNNZEKJRSA-N
norman_susdat_id: NS00071046
pubchem_cid: 6438895
smiles: CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C27H45N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)35-20-21-24(32)25(33)26(36-21)30-19-18-22(28)29-27(30)34/h9-10,18-19,21,24-26,32-33H,2-8,11-17,20H2,1H3,(H2,28,29,34)/b10-9+/t21-,24-,25+,26-/m1/s1


name: O,O-dioctadecyl hydrogen dithiophosphate
cas: 18819-96-0
dtxsid: DTXSID50172165
formula: C36H75O2PS2
inchikey: HBLUTSPORGTSEC-UHFFFAOYSA-N
norman_susdat_id: NS00048220
pubchem_cid: 87808
smiles: S=P(S)(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C36H75O2PS2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39(40,41)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3,(H,40,41)


cas: 188199-50-0
chemspiderid: 9218420
dtxsid: DTXSID30889087
formula: C16H28O2
inchikey: FIGQXHMXVPBTDV-IKCLOSNESA-N
norman_susdat_id: NS00020599
pubchem_cid: 73555446
smiles: CC(C)[C@@H]1OCC[C@@]2(O1)C[C@H]3CCC2(C3(C)C)C
name:
Spiro[bicyclo[2.2.1]heptane-2,4'-[1,3]dioxane], 1,7,7-trimethyl-2'-(1-methylethyl)-, (1R,2S,2'S,4R)-

inchi:
InChI=1S/C16H28O2/c1-11(2)13-17-9-8-16(18-13)10-12-6-7-15(16,5)14(12,3)4/h11-13H,6-10H2,1-5H3/t12-,13-,15-,16-/m1/s1


name: Pyricarbate
cas: 1882-26-4
chebiid: CHEBI:32075
chemspiderid: 4816
dtxsid: DTXSID5045708
formula: C11H15N3O4
inchikey: YEKQSSHBERGOJK-UHFFFAOYSA-N
norman_susdat_id: NS00004979
pubchem_cid: 4990
smiles: CNC(=O)OCc1cccc(COC(=O)NC)n1
inchi:
InChI=1S/C11H15N3O4/c1-12-10(15)17-6-8-4-3-5-9(14-8)7-18-11(16)13-2/h3-5H,6-7H2,1-2H3,(H,12,15)(H,13,16)


name: 21-Deoxycortisone
cas: 1882-82-2
chebiid: CHEBI:34308
chemspiderid: 92310
dtxsid: DTXSID70172167
formula: C21H28O4
inchikey: PUKLDDOGISCFCP-JSQCKWNTSA-N
norman_susdat_id: NS00026165
pubchem_cid: 102178
smiles: CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
inchi:
InChI=1S/C21H28O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h10,15-16,18,25H,4-9,11H2,1-3H3/t15-,16-,18+,19-,20-,21-/m0/s1


name: 2,2-dibutyl-1,3,8,11-tetraoxa-2-stannacyclopentadeca-5,13-diene-4,7,12,15-tetrone
cas: 18824-11-8
formula: C18H26O8Sn
inchikey: CEODJEYOIRWOQD-LBZLRMBPSA-L
norman_susdat_id: NS00048180
pubchem_cid: 53422763
smiles: O=C1OCCOC(=O)C=CC(=O)O[Sn](OC(=O)C=C1)(CCCC)CCCC
inchi:
InChI=1/C10H10O8.2C4H9.Sn/c11-7(12)1-3-9(15)17-5-6-18-10(16)4-2-8(13)14;2*1-3-4-2;/h1-4H,5-6H2,(H,11,12)(H,13,14);2*1,3-4H2,2H3;/q;;;+2/p-2/rC18H26O8Sn/c1-3-5-13-27(14-6-4-2)25-17(21)9-7-15(19)23-11-12-24-16(20)8-10-18(22)26-27/h7-10H,3-6,11-14H2,1-2H3


name: Naphthacene, 5,12-bis(phenylethynyl)-
cas: 18826-29-4
chemspiderid: 78216
dtxsid: DTXSID3066425
formula: C34H20
inchikey: OUHYGBCAEPBUNA-UHFFFAOYSA-N
norman_susdat_id: NS00026164
pubchem_cid: 87816
smiles: c1ccc(cc1)C#Cc1c2ccccc2c(C#Cc2ccccc2)c2cc3ccccc3cc12
inchi:
InChI=1S/C34H20/c1-3-11-25(12-4-1)19-21-31-29-17-9-10-18-30(29)32(22-20-26-13-5-2-6-14-26)34-24-28-16-8-7-15-27(28)23-33(31)34/h1-18,23-24H


name: N-[N-[(phenylmethoxy)carbonyl]-L-leucyl]-L-methionine
cas: 18830-16-5
dtxsid: DTXSID90940325
formula: C19H28N2O5S
inchikey: IZPLXRUAUHMTGJ-HOTGVXAUSA-N
norman_susdat_id: NS00048182
pubchem_cid: 87818
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)NC(C(=O)O)CCSC)CC(C)C
inchi:
InChI=1/C19H28N2O5S/c1-13(2)11-16(17(22)20-15(18(23)24)9-10-27-3)21-19(25)26-12-14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3,(H,20,22)(H,21,25)(H,23,24)


name: FDU-PB-22
cas: 1883284-94-3
chemspiderid: 29763739
formula: C26H18F1N1O2
inchikey: RCEKSVIFQKKFLS-UHFFFAOYSA-N
norman_susdat_id: NS00017402
pubchem_cid: 119025888
smiles: C1=CC=C2C(=C1)C=CC=C2OC(=O)C3=CN(C4=CC=CC=C43)CC5=CC=C(C=C5)F
inchi:
InChI=1S/C26H18FNO2/c27-20-14-12-18(13-15-20)16-28-17-23(22-9-3-4-10-24(22)28)26(29)30-25-11-5-7-19-6-1-2-8-21(19)25/h1-15,17H,16H2


name: 1-Hexacosene
cas: 18835-33-1
chemspiderid: 27252
dtxsid: DTXSID80873052
formula: C26H52
inchikey: OMXANELYEWRDAW-UHFFFAOYSA-N
norman_susdat_id: NS00005393
pubchem_cid: 29303
smiles: CCCCCCCCCCCCCCCCCCCCCCCCC=C
inchi:
InChI=1S/C26H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-26H2,2H3


name: 1-Octacosene
cas: 18835-34-2
chemspiderid: 79231
dtxsid: DTXSID8066426
formula: C28H56
inchikey: QEXZDYLACYKGOM-UHFFFAOYSA-N
norman_susdat_id: NS00002344
pubchem_cid: 87821
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCC=C
inchi:
InChI=1S/C28H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-28H2,2H3


name: N-(phosphonoamidino)sarcosine, dipotassium salt
cas: 18838-38-5
formula: C4H10N3O5P.2K
inchikey: SQOKPBMWFCQTDM-UHFFFAOYSA-M
norman_susdat_id: NS00082674
smiles: [K+].[K+].CN(CC(=O)[O-])C(=N)NP(=O)(O)O
inchi:
InChI=1/C4H10N3O5P.2K/c1-7(2-3(8)9)4(5)6-13(10,11)12;;/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12);;/q;2*+1/p-1


name: Tetraphenylthiophene
cas: 1884-68-0
chemspiderid: 67239
dtxsid: DTXSID90172189
formula: C28H20S1
inchikey: MQFBWJOMLIHUDY-UHFFFAOYSA-N
norman_susdat_id: NS00026168
pubchem_cid: 74664
smiles: s1c(c(c(c1c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C28H20S/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)28(24-19-11-4-12-20-24)29-27(25)23-17-9-3-10-18-23/h1-20H


cas: 188416-34-4
chemspiderid: 57576500
formula: C26H28F3N5O4S1
inchikey: FTYCTPRDKYLVFU-IXPLTUDTSA-N
norman_susdat_id: NS00002734
pubchem_cid: NA
smiles: CC(c1ncncc1F)C(Cn1cncn1)(OS(=O)(=O)C[C@@]12CCC(CC1=O)C2(C)C)c1ccc(F)cc1F
name:
(2RS,3SR)-2-(2,4-difluorophenyl)-3-(5-fluoro-4-pyrimidinyl)-1-(1H-1,2,4-triazol-1-yl)-2-butanol (1R)-10-camphorsulphonate

inchi:
InChI=1S/C26H28F3N5O4S/c1-16(23-21(29)10-30-13-32-23)26(11-34-15-31-14-33-34,19-5-4-18(27)9-20(19)28)38-39(36,37)12-25-7-6-17(8-22(25)35)24(25,2)3/h4-5,9-10,13-17H,6-8,11-12H2,1-3H3/t16?,17?,25-,26?/m0/s1


name: Boscalid
cas: 188425-85-6
chebiid: CHEBI:81822
chemspiderid: 184713
dtxsid: DTXSID6034392
formula: C18H12Cl2N2O1
inchikey: WYEMLYFITZORAB-UHFFFAOYSA-N
norman_susdat_id: NS00000437
pubchem_cid: 213013
smiles: c1ccc(c(c1)c2ccc(cc2)Cl)NC(=O)c3cccnc3Cl
eea_notation: CAS_188425-85-6
inchi:
InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)


name: 2-Naphthalenecarboxamide, 3-hydroxy-4-[(2-methoxyphenyl)azo]-N-phenyl-
cas: 18846-91-8
dtxsid: DTXSID2066430
formula: C24H19N3O3
inchikey: MZOOQEKXDIVGRL-UHFFFAOYSA-N
norman_susdat_id: NS00047461
pubchem_cid: 87825
smiles: O=C(NC=1C=CC=CC1)C2=CC=3C=CC=CC3C(N=NC=4C=CC=CC4OC)=C2O
inchi:
InChI=1/C24H19N3O3/c1-30-21-14-8-7-13-20(21)26-27-22-18-12-6-5-9-16(18)15-19(23(22)28)24(29)25-17-10-3-2-4-11-17/h2-15,28H,1H3,(H,25,29)


name: Flufenpyr-ethyl
cas: 188489-07-8
chebiid: CHEBI:132056
chemspiderid: 2340733
dtxsid: DTXSID3034618
formula: C16H13Cl1F4N2O4
inchikey: DNUAYCRATWAJQE-UHFFFAOYSA-N
norman_susdat_id: NS00015724
pubchem_cid: 3083546
smiles: CCOC(=O)COC1=C(C=C(C(=C1)N2C(=O)C(=C(C=N2)C(F)(F)F)C)F)Cl
inchi:
InChI=1S/C16H13ClF4N2O4/c1-3-26-14(24)7-27-13-5-12(11(18)4-10(13)17)23-15(25)8(2)9(6-22-23)16(19,20)21/h4-6H,3,7H2,1-2H3


name: 3,3,4,4,5,5,6,6,6-Nonafluorohexyl 4-methylbenzene-1-sulfonate
cas: 188492-56-0
dtxsid: DTXSID20896028
formula: C13H11F9O3S
inchikey: BWEHYGNVCKYQCH-UHFFFAOYSA-N
norman_susdat_id: NS00109725
smiles: Cc1ccc(cc1)S(=O)(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C13H11F9O3S/c1-8-2-4-9(5-3-8)26(23,24)25-7-6-10(14,15)11(16,17)12(18,19)13(20,21)22/h2-5H,6-7H2,1H3


name: Dimethylsilylene distearate
cas: 18856-04-7
dtxsid: DTXSID50172226
formula: C38H76O4Si
inchikey: IAJABPQCIRWNLU-UHFFFAOYSA-N
norman_susdat_id: NS00047474
pubchem_cid: 87831
smiles: O=C(O[Si](OC(=O)CCCCCCCCCCCCCCCCC)(C)C)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C38H76O4Si/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(39)41-43(3,4)42-38(40)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2/h5-36H2,1-4H3


name: Eptifibatide
cas: 188627-80-7
chemspiderid: 110201
dtxsid: DTXSID7046673
formula: C35H49N11O9S2
inchikey: CZKPOZZJODAYPZ-UHFFFAOYSA-N
norman_susdat_id: NS00007519
pubchem_cid: 123610
smiles: NC(N)=NCCCCC1NC(=O)CCSSCC(NC(=O)C2CCCN2C(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(CC(O)=O)NC(=O)CNC1=O)C(N)=O
inchi:
InChI=1S/C35H49N11O9S2/c36-30(51)25-18-57-56-13-10-27(47)42-22(8-3-4-11-39-35(37)38)31(52)41-17-28(48)43-23(15-29(49)50)32(53)44-24(14-19-16-40-21-7-2-1-6-20(19)21)34(55)46-12-5-9-26(46)33(54)45-25/h1-2,6-7,16,22-26,40H,3-5,8-15,17-18H2,(H2,36,51)(H,41,52)(H,42,47)(H,43,48)(H,44,53)(H,45,54)(H,49,50)(H4,37,38,39)


name: Bis[5-amino-1,1-dimethylhexyl] hydrogen phosphate
cas: 18864-27-2
dtxsid: DTXSID60940372
formula: C16H37N2O4P
inchikey: TXYNAKWXMMCIKR-UHFFFAOYSA-N
norman_susdat_id: NS00047526
pubchem_cid: 86797
smiles: O=P(O)(OC(C)(C)CCCC(N)C)OC(C)(C)CCCC(N)C
inchi:
InChI=1/C16H37N2O4P/c1-13(17)9-7-11-15(3,4)21-23(19,20)22-16(5,6)12-8-10-14(2)18/h13-14H,7-12,17-18H2,1-6H3,(H,19,20)


name: V
cas: 18865-48-0
chemspiderid: NA
formula: C28H26N4O2
inchikey: OWFIAXYWJXDAJU-UHFFFAOYSA-N
norman_susdat_id: NS00005077
pubchem_cid: NA
smiles: NC(O)N1c2ccccc2C(C2c3ccccc3N(C(N)O)c3ccccc23)c2ccccc12
inchi:
InChI=1S/C28H26N4O2/c29-27(33)31-21-13-5-1-9-17(21)25(18-10-2-6-14-22(18)31)26-19-11-3-7-15-23(19)32(28(30)34)24-16-8-4-12-20(24)26/h1-16,25-28,33-34H,29-30H2


name: Methyl n-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]carbamate
cas: 188679-87-0
formula: C8H15NO7
inchikey: IZZJOGWXTFEDLL-XUUWZHRGSA-N
norman_susdat_id: NS00069829
pubchem_cid: 445722
smiles: COC(=O)N[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
inchi:
InChI=1S/C8H15NO7/c1-15-8(14)9-7-6(13)5(12)4(11)3(2-10)16-7/h3-7,10-13H,2H2,1H3,(H,9,14)/t3-,4-,5+,6-,7-/m1/s1


name: 2H-Indol-2-one, 1-acetyl-3,3-bis[4-(acetyloxy)phenyl]-1,3-dihydro-
cas: 18869-73-3
chemspiderid: 27269
dtxsid: DTXSID2066434
formula: C26H21N1O6
inchikey: JPGUEMQIAGJQSJ-UHFFFAOYSA-N
norman_susdat_id: NS00026179
pubchem_cid: 29321
smiles: CC(=O)Oc1ccc(cc1)C1(C(=O)N(C(=O)C)c2c1cccc2)c1ccc(OC(=O)C)cc1
inchi:
InChI=1S/C26H21NO6/c1-16(28)27-24-7-5-4-6-23(24)26(25(27)31,19-8-12-21(13-9-19)32-17(2)29)20-10-14-22(15-11-20)33-18(3)30/h4-15H,1-3H3


name: Tris(1H,1H,2H,2H-perfluorohexyl) phosphate
cas: 1887067-55-1
dtxsid: DTXSID00897013
formula: C18H12F27O4P
inchikey: KYIISKPQNCJEAU-UHFFFAOYSA-N
norman_susdat_id: NS00109091
inchi:
InChI=1S/C18H12F27O4P/c19-7(20,10(25,26)13(31,32)16(37,38)39)1-4-47-50(46,48-5-2-8(21,22)11(27,28)14(33,34)17(40,41)42)49-6-3-9(23,24)12(29,30)15(35,36)18(43,44)45/h1-6H2

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOP(=O)(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: (R)-[3-carboxy-2-[(1-oxohexadecyl)oxy]propyl]trimethylammonium chloride
cas: 18877-64-0
formula: C23H46NO4.Cl
inchikey: GAMKNLFIHBMGQT-ZMBIFBSDSA-N
norman_susdat_id: NS00085609
smiles: [Cl-].CCCCCCCCCCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C
inchi:
InChI=1/C23H45NO4.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4;/h21H,5-20H2,1-4H3;1H


name: Dichloroisobutylaluminium
cas: 1888-87-5
formula: C4H9AlCl2
inchikey: NMVXHZSPDTXJSJ-UHFFFAOYSA-L
norman_susdat_id: NS00081859
smiles: CC(C)C[Al](Cl)Cl
inchi:
InChI=1/C4H9.Al.2ClH/c1-4(2)3;;;/h4H,1H2,2-3H3;;2*1H/q;+2;;/p-2/rC4H9AlCl2/c1-4(2)3-5(6)7/h4H,3H2,1-2H3


name: Streptozotocin
cas: 18883-66-4
chebiid: CHEBI:9288
chemspiderid: 27273
dtxsid: DTXSID2021282
formula: C8H15N3O7
inchikey: ZSJLQEPLLKMAKR-GKHCUFPYSA-N
norman_susdat_id: NS00011535
pubchem_cid: 29327
smiles: CN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@@H]1O)CO)O)O)N=O
inchi:
InChI=1S/C8H15N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,12-15H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7+/m1/s1


cas: 18886-16-3
formula: C19H12Cl2N6O7S2.2Na
inchikey: OWJBWTPIJLQHBO-UHFFFAOYSA-L
norman_susdat_id: NS00086623
smiles: [Na+].[Na+].Clc4nc(Nc2cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c3cc2)S([O-])(=O)=O)nc(Cl)n4
name:
Disodium 7-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C19H12Cl2N6O7S2.2Na/c20-17-23-18(21)25-19(24-17)22-10-5-6-11-9(7-10)8-14(36(32,33)34)15(16(11)28)27-26-12-3-1-2-4-13(12)35(29,30)31;;/h1-8,28H,(H,29,30,31)(H,32,33,34)(H,22,23,24,25);;/q;2*+1/p-2


name: Tetramenthol, tetraester with silicic acid
cas: 18888-09-0
formula: C40H76O4Si
inchikey: FFGFCZRBQGSAJV-UHFFFAOYSA-N
norman_susdat_id: NS00052337
pubchem_cid: 86802
smiles: O(C1CC(C)CCC1C(C)C)[Si](OC2CC(C)CCC2C(C)C)(OC3CC(C)CCC3C(C)C)OC4CC(C)CCC4C(C)C
inchi:
InChI=1/C40H76O4Si/c1-25(2)33-17-13-29(9)21-37(33)41-45(42-38-22-30(10)14-18-34(38)26(3)4,43-39-23-31(11)15-19-35(39)27(5)6)44-40-24-32(12)16-20-36(40)28(7)8/h25-40H,13-24H2,1-12H3


name: Cilengitide
cas: 188968-51-6
dtxsid: DTXSID9044035
formula: C27H40N8O7
inchikey: AMLYAMJWYAIXIA-VWNVYAMZSA-N
norman_susdat_id: NS00069654
pubchem_cid: 176873
smiles: CC(C)[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc2ccccc2)C(=O)N1C
inchi:
InChI=1S/C27H40N8O7/c1-15(2)22-25(41)33-17(10-7-11-30-27(28)29)23(39)31-14-20(36)32-18(13-21(37)38)24(40)34-19(26(42)35(22)3)12-16-8-5-4-6-9-16/h4-6,8-9,15,17-19,22H,7,10-14H2,1-3H3,(H,31,39)(H,32,36)(H,33,41)(H,34,40)(H,37,38)(H4,28,29,30)/t17-,18-,19+,22-/m0/s1


name: Benzo(r,s,t)pentaphene
cas: 189-55-9
chebiid: CHEBI:82314
dtxsid: DTXSID9059751
formula: C24H14
inchikey: TUGYIJVAYAHHHM-UHFFFAOYSA-N
norman_susdat_id: NS00041814
pubchem_cid: 9106
smiles: C=1C=CC2=C(C1)C=C3C=CC4=CC=5C=CC=CC5C=6C=CC2=C3C46
eea_notation: CAS_189-55-9
inchi:
InChI=1/C24H14/c1-3-7-19-15(5-1)13-17-9-10-18-14-16-6-2-4-8-20(16)22-12-11-21(19)23(17)24(18)22/h1-14H


name: Dibenzo[a,h]pyrene
cas: 189-64-0
chebiid: CHEBI:82313
chemspiderid: 8754
dtxsid: DTXSID4059752
formula: C24H14
inchikey: RXUSYFJGDZFVND-UHFFFAOYSA-N
norman_susdat_id: NS00019596
pubchem_cid: 9108
smiles: c1cc2cc3ccc4c5c(cccc5)cc5ccc(c2cc1)c3c45
inchi:
InChI=1S/C24H14/c1-3-7-19-15(5-1)13-17-9-12-22-20-8-4-2-6-16(20)14-18-10-11-21(19)23(17)24(18)22/h1-14H


name: Benzo[pqr]picene
cas: 189-96-8
dtxsid: DTXSID70172283
formula: C24H14
inchikey: VOIIGLOUBINLKK-UHFFFAOYSA-N
norman_susdat_id: NS00041483
pubchem_cid: 9111
smiles: C=1C=CC2=C(C1)C=CC=3C=4C=CC=5C=CC=C6C=CC(=CC23)C4C65
inchi:
InChI=1/C24H14/c1-2-7-19-15(4-1)10-12-20-21-13-11-17-6-3-5-16-8-9-18(14-22(19)20)24(21)23(16)17/h1-14H


cas: 1890-19-8
formula: C28H38N4O.2ClH
inchikey: NZZMVMMUNRNSMC-UHFFFAOYSA-N
norman_susdat_id: NS00080732
smiles: Cl.Cl.NC(=O)C1(CCN(CCCN2c3ccccc3CCc4ccccc24)CC1)N5CCCCC5
name:
1'-[3-(10,11-dihydro-5H-dibenz(b,f)azepin-5-yl)propyl][1,4'-bipiperidine]-4'-carboxamide dihydrochloride

inchi:
InChI=1/C28H38N4O.2ClH/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32;;/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33);2*1H


name: Salmefamol
cas: 18910-65-1
formula: C19H25NO4
inchikey: VPMWDFRZSIMDKW-UHFFFAOYSA-N
norman_susdat_id: NS00053646
pubchem_cid: 86805
smiles: OC1=CC=C(C=C1CO)C(O)CNC(C)CC2=CC=C(OC)C=C2
inchi:
InChI=1/C19H25NO4/c1-13(9-14-3-6-17(24-2)7-4-14)20-11-19(23)15-5-8-18(22)16(10-15)12-21/h3-8,10,13,19-23H,9,11-12H2,1-2H3


name: 3,5-Dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenyl 2-O-(6-deoxyhexopyranosyl)hexopyranoside
cas: 18916-17-1
chemspiderid: 25070990
dtxsid: DTXSID10940428
formula: C27H34O14
inchikey: CWBZAESOUBENAP-UHFFFAOYSA-N
norman_susdat_id: NS00009070
pubchem_cid: 42608892
smiles: CC1OC(OC2C(O)C(O)C(CO)OC2Oc2cc(O)c(C(=O)CCc3ccc(O)cc3)c(O)c2)C(O)C(O)C1O
inchi:
InChI=1S/C27H34O14/c1-11-20(33)22(35)24(37)26(38-11)41-25-23(36)21(34)18(10-28)40-27(25)39-14-8-16(31)19(17(32)9-14)15(30)7-4-12-2-5-13(29)6-3-12/h2-3,5-6,8-9,11,18,20-29,31-37H,4,7,10H2,1H3


name: Lead dilactate
cas: 18917-82-3
formula: C6H10O6Pb
inchikey: JHLGIWLLGRJIEN-UHFFFAOYSA-L
norman_susdat_id: NS00085942
smiles: [Pb+2].CC(O)C([O-])=O.[O-]C(=O)C(C)O
inchi:
InChI=1/2C3H6O3.Pb.2H/c2*1-2(4)3(5)6;;;/h2*2,4H,1H3,(H,5,6);;;/q;;+4;;/p-2/r2C3H6O3.H2Pb/c2*1-2(4)3(5)6;/h2*2,4H,1H3,(H,5,6);1H2/q;;+4/p-2


name: Bis(diallyldithiocarbamato-S,S')zinc
cas: 18918-13-3
formula: C14H20N2S4Zn
inchikey: BEPJQQCXNPCQKK-UHFFFAOYSA-L
norman_susdat_id: NS00086656
smiles: C=CCN(CC=C)C(=S)S[Zn]SC(=S)N(CC=C)CC=C
inchi:
InChI=1/2C7H11NS2.Zn/c2*1-3-5-8(6-4-2)7(9)10;/h2*3-4H,1-2,5-6H2,(H,9,10);/q;;+2/p-2/rC14H20N2S4Zn/c1-5-9-15(10-6-2)13(17)19-21-20-14(18)16(11-7-3)12-8-4/h5-8H,1-4,9-12H2


name: Pactimibe
cas: 189198-30-9
dtxsid: DTXSID80172315
formula: C25H40N2O3
inchikey: TXIIZHHIOHVWJD-UHFFFAOYSA-N
norman_susdat_id: NS00068626
smiles: CCCCCCCCN1CCc2c(C)c(CC(=O)O)c(C)c(NC(=O)C(C)(C)C)c21
inchi:
InChI=1S/C25H40N2O3/c1-7-8-9-10-11-12-14-27-15-13-19-17(2)20(16-21(28)29)18(3)22(23(19)27)26-24(30)25(4,5)6/h7-16H2,1-6H3,(H,26,30)(H,28,29)


name: Athamantin
cas: 1892-56-4
chebiid: CHEBI:2905
chemspiderid: 390599
dtxsid: DTXSID30172320
formula: C24H30O7
inchikey: KPLBOWKEQXYXSD-PKTZIBPZSA-N
norman_susdat_id: NS00094665
pubchem_cid: 442051
smiles: CC(C)CC(=O)O[C@H]1[C@H](OC2=C1C1=C(C=C2)C=CC(=O)O1)C(C)(C)OC(=O)CC(C)C
inchi:
InChI=1S/C24H30O7/c1-13(2)11-18(26)30-22-20-16(9-7-15-8-10-17(25)29-21(15)20)28-23(22)24(5,6)31-19(27)12-14(3)4/h7-10,13-14,22-23H,11-12H2,1-6H3/t22-,23+/m1/s1


name: Fenethylline hydrochloride
cas: 1892-80-4
chebiid: CHEBI:135451
chemspiderid: 18398
dtxsid: DTXSID3048869
formula: C18H23N5O2
inchikey: NMCHYWGKBADVMK-UHFFFAOYSA-N
norman_susdat_id: NS00002184
pubchem_cid: 19527
smiles: CC(Cc1ccccc1)NCCn1cnc2n(C)c(=O)n(C)c(=O)c12
inchi:
InChI=1S/C18H23N5O2/c1-13(11-14-7-5-4-6-8-14)19-9-10-23-12-20-16-15(23)17(24)22(3)18(25)21(16)2/h4-8,12-13,19H,9-11H2,1-3H3


name: Hydroxyaluminium disalicylate
cas: 18921-11-4
formula: C14H11AlO7
inchikey: KFTNJALKRJCBGB-UHFFFAOYSA-K
norman_susdat_id: NS00086657
smiles: O[Al+2].Oc1ccccc1C(=O)[O-].Oc2ccccc2C(=O)[O-]
inchi:
InChI=1/2C7H6O3.Al.H2O/c2*8-6-4-2-1-3-5(6)7(9)10;;/h2*1-4,8H,(H,9,10);;1H2/q;;+3;/p-3/r2C7H6O3.AlHO/c2*8-6-4-2-1-3-5(6)7(9)10;1-2/h2*1-4,8H,(H,9,10);2H/q;;+2/p-2


name: 2,4,6-tris(2-ethylaziridin-1-yl)-1,3,5-triazine
cas: 18924-91-9
dtxsid: DTXSID50884554
formula: C15H24N6
inchikey: JMDOEUVPOVHBNU-UHFFFAOYSA-N
norman_susdat_id: NS00052750
pubchem_cid: 86807
smiles: N=1C(=NC(=NC1N2CC2CC)N3CC3CC)N4CC4CC
inchi:
InChI=1/C15H24N6/c1-4-10-7-19(10)13-16-14(20-8-11(20)5-2)18-15(17-13)21-9-12(21)6-3/h10-12H,4-9H2,1-3H3


name: (2S-cis)-N,N'-[(3,6-dioxopiperazine-2,5-diyl)di-3,1-propanediyl]bis[N-hydroxyacetamide]
cas: 18928-00-2
dtxsid: DTXSID20940439
formula: C14H24N4O6
inchikey: PUWVNTVQJFSBDH-UHFFFAOYSA-N
norman_susdat_id: NS00052751
pubchem_cid: 29337
smiles: O=C1NC(C(=O)NC1CCCN(O)C(=O)C)CCCN(O)C(=O)C
inchi:
InChI=1/C14H24N4O6/c1-9(19)17(23)7-3-5-11-13(21)16-12(14(22)15-11)6-4-8-18(24)10(2)20/h11-12,23-24H,3-8H2,1-2H3,(H,15,22)(H,16,21)


name: N,N'-bis(2-hydroxyethyl)terephthaldiamide
cas: 18928-62-6
dtxsid: DTXSID50940442
formula: C12H16N2O4
inchikey: VNXJRBGZIXAZRZ-UHFFFAOYSA-N
norman_susdat_id: NS00052358
pubchem_cid: 87854
smiles: O=C(NCCO)C1=CC=C(C=C1)C(=O)NCCO
inchi:
InChI=1/C12H16N2O4/c15-7-5-13-11(17)9-1-2-10(4-3-9)12(18)14-6-8-16/h1-4,15-16H,5-8H2,(H,13,17)(H,14,18)


name: (3R)-7-Chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepine-3-carboxylic acid
cas: 189298-39-3
dtxsid: DTXSID10653167
formula: C16H11ClN2O3
inchikey: XDDJGVMJFWAHJX-CQSZACIVSA-N
norman_susdat_id: NS00098972
smiles: O=C(O)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O
inchi:
InChI=1S/C16H11ClN2O3/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12/h1-8,14H,(H,18,20)(H,21,22)/t14-/m1/s1


name: Pipamperone
cas: 1893-33-0
chebiid: CHEBI:78549
chemspiderid: 4664
dtxsid: DTXSID8048369
formula: C21H30F1N3O2
inchikey: AXKPFOAXAHJUAG-UHFFFAOYSA-N
norman_susdat_id: NS00010433
pubchem_cid: 4830
smiles: C1CCN(CC1)C2(CCN(CC2)CCCC(=O)C3=CC=C(C=C3)F)C(=O)N
inchi:
InChI=1S/C21H30FN3O2/c22-18-8-6-17(7-9-18)19(26)5-4-12-24-15-10-21(11-16-24,20(23)27)25-13-2-1-3-14-25/h6-9H,1-5,10-16H2,(H2,23,27)


name: 2-Propenoic acid, 2-[ethyl[(tridecafluorohexyl)sulfonyl]amino]ethyl ester
cas: 1893-52-3
chemspiderid: 67265
dtxsid: DTXSID6062048
formula: C13H12F13N1O4S1
inchikey: QJRQXQMZXHXNPA-UHFFFAOYSA-N
norman_susdat_id: NS00011116
pubchem_cid: 74692
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCOC(=O)C=C)C
inchi:
InChI=1S/C13H12F13NO4S/c1-3-7(28)31-6-5-27(4-2)32(29,30)13(25,26)11(20,21)9(16,17)8(14,15)10(18,19)12(22,23)24/h3H,1,4-6H2,2H3


name: 6ß-fluoro-5a,17,21-trihydroxy-16a-methylpregnane-3,20-dione 21-acetate
cas: 1893-91-0
dtxsid: DTXSID90940446
formula: C24H35FO6
inchikey: XAEKFNIGPGAZHV-KRPSSRQNSA-N
norman_susdat_id: NS00044875
pubchem_cid: 21117696
smiles: O=C(OCC(=O)C1(O)C(C)CC2C3CC(F)C4(O)CC(=O)CCC4(C)C3CCC21C)C
inchi:
InChI=1/C24H35FO6/c1-13-9-18-16-10-19(25)23(29)11-15(27)5-7-21(23,3)17(16)6-8-22(18,4)24(13,30)20(28)12-31-14(2)26/h13,16-19,29-30H,5-12H2,1-4H3


name: 3'-Hydroxyrocaglamide
cas: 189322-67-6
chemspiderid: 8991152
formula: C29H31NO8
inchikey: VOSHNPGEFUCUHH-UHFFFAOYNA-N
norman_susdat_id: NS00067873
pubchem_cid: 10815847
inchi:
InChI=1S/C29H31NO8/c1-30(2)27(33)23-24(16-9-7-6-8-10-16)29(17-11-12-20(36-4)19(31)13-17)28(34,26(23)32)25-21(37-5)14-18(35-3)15-22(25)38-29/h6-15,23-24,26,31-32,34H,1-5H3/t23-,24-,26-,28+,29+/m1/s1


name: 3'-Methoxyrocaglamide
cas: 189322-69-8
chemspiderid: 8825372
formula: C30H33NO8
inchikey: SKYJJPBOOAAPMV-UHFFFAOYNA-N
norman_susdat_id: NS00067874
pubchem_cid: 10650014
inchi:
InChI=1S/C30H33NO8/c1-31(2)28(33)24-25(17-10-8-7-9-11-17)30(18-12-13-20(36-4)21(14-18)37-5)29(34,27(24)32)26-22(38-6)15-19(35-3)16-23(26)39-30/h7-16,24-25,27,32,34H,1-6H3/t24-,25-,27-,29+,30+/m1/s1


name: K-134
cas: 189362-06-9
dtxsid: DTXSID90172346
formula: C22H29N3O4
inchikey: ULGNGSQNNMKROG-WOJBJXKFSA-N
norman_susdat_id: NS00068769
pubchem_cid: 9908900
smiles: O=C(NCCCOc1ccc2[nH]c(=O)ccc2c1)N(C1CC1)[C@@H]1CCCC[C@H]1O
inchi:
InChI=1S/C22H29N3O4/c26-20-5-2-1-4-19(20)25(16-7-8-16)22(28)23-12-3-13-29-17-9-10-18-15(14-17)6-11-21(27)24-18/h6,9-11,14,16,19-20,26H,1-5,7-8,12-13H2,(H,23,28)(H,24,27)/t19-,20-/m1/s1


name: N-(tert-butoxycarbonyl)-S-(p-methoxybenzyl)-L-cysteine
cas: 18942-46-6
formula: C16H23NO5S
inchikey: VRTXRNJMNFVTOM-ZDUSSCGKSA-N
norman_susdat_id: NS00086658
smiles: COc1ccc(CSC[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1
inchi:
InChI=1/C16H23NO5S/c1-16(2,3)22-15(20)17-13(14(18)19)10-23-9-11-5-7-12(21-4)8-6-11/h5-8,13H,9-10H2,1-4H3,(H,17,20)(H,18,19)


name: 9-fluoro-11ß-hydroxy-6a-methylpregna-1,4-diene-3,20-dione
cas: 1895-19-8
dtxsid: DTXSID70940464
formula: C22H29FO3
inchikey: ZHGQAFTZDPRKBI-ORKYMPNQSA-N
norman_susdat_id: NS00045631
pubchem_cid: 102180
smiles: O=C1C=CC2(C(=C1)C(C)CC3C4CCC(C(=O)C)C4(C)CC(O)C32F)C
inchi:
InChI=1/C22H29FO3/c1-12-9-18-16-6-5-15(13(2)24)20(16,3)11-19(26)22(18,23)21(4)8-7-14(25)10-17(12)21/h7-8,10,12,15-16,18-19,26H,5-6,9,11H2,1-4H3


name: 12:2 Fluorotelomer phosphate diester
cas: 1895-26-7
chemspiderid: 2288810
dtxsid: DTXSID30172360
formula: C24H9F42O4P1
inchikey: FHENBBPEACDTCF-UHFFFAOYSA-N
norman_susdat_id: NS00011037
pubchem_cid: 3022255
inchi:
InChI=1S/C24H9F42O4P/c25-5(26,7(29,30)9(33,34)11(37,38)13(41,42)15(45,46)17(49,50)19(53,54)21(57,58)23(61,62)63)1-3-69-71(67,68)70-4-2-6(27,28)8(31,32)10(35,36)12(39,40)14(43,44)16(47,48)18(51,52)20(55,56)22(59,60)24(64,65)66/h1-4H2,(H,67,68)

smiles:
C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CO[P](=O)(OCCC(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O


name: N-butyloleamide
cas: 18961-61-0
formula: C22H43NO
inchikey: WLUWZVUXQSJMCW-SEYXRHQNSA-N
norman_susdat_id: NS00052360
pubchem_cid: 6436496
smiles: O=C(NCCCC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C22H43NO/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(24)23-21-6-4-2/h12-13H,3-11,14-21H2,1-2H3,(H,23,24)


name: Aplindore
cas: 189681-71-8
dtxsid: DTXSID60870185
formula: C18H18N2O3
inchikey: DYJIKHYBKVODAC-ZDUSSCGKSA-N
norman_susdat_id: NS00069656
pubchem_cid: 158784
smiles: O=C1Cc2c(ccc3c2O[C@@H](CNCc2ccccc2)CO3)N1
inchi:
InChI=1S/C18H18N2O3/c21-17-8-14-15(20-17)6-7-16-18(14)23-13(11-22-16)10-19-9-12-4-2-1-3-5-12/h1-7,13,19H,8-11H2,(H,20,21)/t13-/m0/s1


name: Procarbazine hydrobromide
cas: 18969-59-0
dtxsid: DTXSID50172382
formula: C12H20BrN3O
inchikey: QVJOHDIBFONSSL-UHFFFAOYSA-N
norman_susdat_id: NS00076317
smiles: Br.CNNCC1=CC=C(C=C1)C(=O)NC(C)C
inchi:
InChI=1S/C12H19N3O.BrH/c1-9(2)15-12(16)11-6-4-10(5-7-11)8-14-13-3;/h4-7,9,13-14H,8H2,1-3H3,(H,15,16);1H


name: Piriqualone
cas: 1897-89-8
formula: C22H17N3O
inchikey: MYGZNGAHFWOCLI-UHFFFAOYSA-N
norman_susdat_id: NS00046193
pubchem_cid: 63114
smiles: O=C1C=2C=CC=CC2N=C(C=CC3=NC=CC=C3)N1C=4C=CC=CC4C
inchi:
InChI=1/C22H17N3O/c1-16-8-2-5-12-20(16)25-21(14-13-17-9-6-7-15-23-17)24-19-11-4-3-10-18(19)22(25)26/h2-15H,1H3


cas: 18976-74-4
formula: C20H21ClN4O11S3
inchikey: MDNHFVJYEPHAAQ-UHFFFAOYSA-L
norman_susdat_id: NS00053672
pubchem_cid: 86809
name:
Disodium 5-chloro-6-[4,5-dihydro-4-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]toluene-3-sulphonate

inchi:
InChI=1/C20H21ClN4O11S3.2Na/c1-11-8-14(38(29,30)31)9-15(21)19(11)25-20(26)18(12(2)24-25)23-22-16-10-13(4-5-17(16)35-3)37(27,28)7-6-36-39(32,33)34;;/h4-5,8-10,18H,6-7H2,1-3H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1N(N=C(C)C1N=NC2=CC(=CC=C2OC)S(=O)(=O)CCOS(=O)(=O)[O-])C3=C(Cl)C=C(C=C3C)S(=O)(=O)[O-]


name: 2,6-bis(m-nitrobenzylidene)cyclohexan-1-one
cas: 18977-36-1
dtxsid: DTXSID60940493
formula: C20H18N2O5
inchikey: YXADDWKSFJIQJN-UHFFFAOYSA-N
norman_susdat_id: NS00052361
pubchem_cid: 86811
smiles: O=C1C(=CC2=CC=CC(=C2)[N+](=O)[O-])CCCC1=CC3=CC=CC(=C3)[N+](=O)[O-]
inchi:
InChI=1/C20H16N2O5/c23-20-16(10-14-4-1-8-18(12-14)21(24)25)6-3-7-17(20)11-15-5-2-9-19(13-15)22(26)27/h1-2,4-5,8-13H,3,6-7H2


name: (1E,3Z,6E,10E,14S)-3,7,11-Trimethyl-14-(1-methylethyl)-1,3,6,10-cyclotetradecatetraene
cas: 1898-13-1
dtxsid: DTXSID80880701
formula: C20H32
inchikey: DMHADBQKVWXPPM-QXIQWJTQSA-N
norman_susdat_id: NS00095999
smiles: CC(C)[C@@H]1CCC(C)=CCCC(C)=CCC=C(C)/C=C/1
inchi:
InChI=1S/C20H32/c1-16(2)20-14-12-18(4)10-6-8-17(3)9-7-11-19(5)13-15-20/h8,10-12,14,16,20H,6-7,9,13,15H2,1-5H3/b14-12+,17-8+,18-10-,19-11+/t20-/m0/s1


name: Bis(methyldithiocarbamato-S,S')zinc
cas: 18984-32-2
formula: C4H8N2S4Zn
inchikey: HZFSIJCQPSIJHB-UHFFFAOYSA-L
norman_susdat_id: NS00085658
smiles: CNC(=S)S[Zn]SC(=S)NC
inchi:
InChI=1/2C2H5NS2.Zn/c2*1-3-2(4)5;/h2*1H3,(H2,3,4,5);/q;;+2/p-2/rC4H8N2S4Zn/c1-5-3(7)9-11-10-4(8)6-2/h1-2H3,(H,5,7)(H,6,8)


name: 2,6-bis(p-methylbenzylidene)cyclohexan-1-one
cas: 18989-35-0
dtxsid: DTXSID40940512
formula: C22H22O
inchikey: CETXDHNPPYXEOF-UHFFFAOYSA-N
norman_susdat_id: NS00053697
pubchem_cid: 86812
smiles: O=C1C(=CC2=CC=C(C=C2)C)CCCC1=CC3=CC=C(C=C3)C
inchi:
InChI=1/C22H22O/c1-16-6-10-18(11-7-16)14-20-4-3-5-21(22(20)23)15-19-12-8-17(2)9-13-19/h6-15H,3-5H2,1-2H3


name: 2,6-bis(o-chlorobenzylidene)cyclohexan-1-one
cas: 18989-81-6
dtxsid: DTXSID00940513
formula: C20H16Cl2O
inchikey: QLOHWWSWUAXAGS-UHFFFAOYSA-N
norman_susdat_id: NS00052794
pubchem_cid: 86813
smiles: O=C1C(=CC=2C=CC=CC2Cl)CCCC1=CC=3C=CC=CC3Cl
inchi:
InChI=1/C20H16Cl2O/c21-18-10-3-1-6-14(18)12-16-8-5-9-17(20(16)23)13-15-7-2-4-11-19(15)22/h1-4,6-7,10-13H,5,8-9H2


name: 2,6-Bis(4-chlorobenzylidene)cyclohexanone
cas: 18989-82-7
chemspiderid: 78312
dtxsid: DTXSID5075157
formula: C20H16Cl2O1
inchikey: MNFGLQYSNLSOHP-UHFFFAOYSA-N
norman_susdat_id: NS00026207
pubchem_cid: 86814
smiles: Clc1ccc(/C=C/2CCC/C(=Cc3ccc(Cl)cc3)/C2=O)cc1
inchi:
InChI=1S/C20H16Cl2O/c21-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)23)13-15-6-10-19(22)11-7-15/h4-13H,1-3H2/b16-12+,17-13+


name: Aluminium tridocosanoate
cas: 18990-72-2
formula: C22H44O2.1/3Al
inchikey: BBMXVTPBLPQMAE-UHFFFAOYSA-K
norman_susdat_id: NS00086085
smiles: [Al+3].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/3C22H44O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h3*2-21H2,1H3,(H,23,24);/q;;;+3/p-3


name: N,N-diethyl-N'-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylenediamine
cas: 18991-15-6
formula: C14H20N4O
inchikey: HFXOMPIWXDVHSZ-UHFFFAOYSA-N
norman_susdat_id: NS00086086
smiles: CCN(CC)CCNc1onc(n1)c2ccccc2
inchi:
InChI=1/C14H20N4O/c1-3-18(4-2)11-10-15-14-16-13(17-19-14)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,15,16,17)


name: (r)-Mesopram
cas: 189940-24-7
formula: C14H19NO4
inchikey: PCCPERGCFKIYIS-AWEZNQCLSA-N
norman_susdat_id: NS00069202
pubchem_cid: 449190
smiles: CCCOc1cc([C@]2(C)CNC(=O)O2)ccc1OC
inchi:
InChI=1S/C14H19NO4/c1-4-7-18-12-8-10(5-6-11(12)17-3)14(2)9-15-13(16)19-14/h5-6,8H,4,7,9H2,1-3H3,(H,15,16)/t14-/m0/s1


name: Firocoxib
cas: 189954-96-9
chebiid: CHEBI:76136
chemspiderid: 181008
formula: C17H20O5S1
inchikey: FULAPETWGIGNMT-UHFFFAOYSA-N
norman_susdat_id: NS00015415
pubchem_cid: 208910
smiles: CC1(C(=C(C(=O)O1)OCC2CC2)C3=CC=C(C=C3)S(=O)(=O)C)C
inchi:
InChI=1S/C17H20O5S/c1-17(2)14(12-6-8-13(9-7-12)23(3,19)20)15(16(18)22-17)21-10-11-4-5-11/h6-9,11H,4-5,10H2,1-3H3


name: 7-(ß-D-glucopyranosyloxy)-4-methyl-2H-1-benzopyran-2-one
cas: 18997-57-4
chebiid: CHEBI:91117
formula: C16H18O8
inchikey: YUDPTGPSBJVHCN-YMILTQATSA-N
norman_susdat_id: NS00086087
smiles: CC1=CC(=O)Oc2cc(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12
inchi:
InChI=1/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3


name: Ovalene
cas: 190-26-1
chebiid: CHEBI:33091
dtxsid: DTXSID90172447
formula: C32H14
inchikey: LSQODMMMSXHVCN-UHFFFAOYSA-N
norman_susdat_id: NS00041815
pubchem_cid: 67446
smiles: C1=CC2=CC=C3C=C4C=CC5=CC=C6C=CC7=CC8=CC=C1C=9C2=C3C=%10C4=C5C6=C7C%10C89
inchi:
InChI=1/C32H14/c1-2-16-6-10-20-14-22-12-8-18-4-3-17-7-11-21-13-19-9-5-15(1)23-24(16)28(20)32-30(22)26(18)25(17)29(21)31(32)27(19)23/h1-14H


name: (3ß)-stigmast-5-en-3-yl benzoate
cas: 1900-52-3
dtxsid: DTXSID40940537
formula: C36H54O2
inchikey: WFQRUMHMFCGSRO-XKKOIZAZSA-N
norman_susdat_id: NS00046194
pubchem_cid: 102181
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCC(CC)C(C)C)C2(C)CC1)C=5C=CC=CC5
inchi:
InChI=1/C36H54O2/c1-7-26(24(2)3)14-13-25(4)31-17-18-32-30-16-15-28-23-29(38-34(37)27-11-9-8-10-12-27)19-21-35(28,5)33(30)20-22-36(31,32)6/h8-12,15,24-26,29-33H,7,13-14,16-23H2,1-6H3


cas: 190062-24-9
dtxsid: DTXSID10897660
norman_susdat_id: NS00109477
name:
1,9-Decadiene, 3,3,4,4,5,5,6,6,7,7,8,8-dodecafluoro-, polymer with 1,1,2,2-tetrafluoroethene and 1,1,2-trifluoro-2-(trifluoromethoxy)ethene


name: 4-CARBOXY-5-(1-PENTYL)HEXYLSULFANYL-1,2,3-TRIAZOLE
cas: 190080-32-1
dtxsid: DTXSID40332150
formula: C14H25N3O2S
inchikey: GROSWUGUHPUYIU-UHFFFAOYSA-N
norman_susdat_id: NS00069151
pubchem_cid: 444302
smiles: CCCCCC(CCCCC)Sc1nn[nH]c1C(=O)O
inchi:
InChI=1S/C14H25N3O2S/c1-3-5-7-9-11(10-8-6-4-2)20-13-12(14(18)19)15-17-16-13/h11H,3-10H2,1-2H3,(H,18,19)(H,15,16,17)


name: Lead bis(dimethyldithiocarbamate)
cas: 19010-66-3
formula: C6H12N2PbS4
inchikey: QGTHALAWFUFVCU-UHFFFAOYSA-L
norman_susdat_id: NS00085680
smiles: [Pb+2].S=C([S-])N(C)C.CN(C)C([S-])=S
inchi:
InChI=1/2C3H7NS2.Pb.2H/c2*1-4(2)3(5)6;;;/h2*1-2H3,(H,5,6);;;/q;;+4;;/p-2/r2C3H7NS2.H2Pb/c2*1-4(2)3(5)6;/h2*1-2H3,(H,5,6);1H2/q;;+4/p-2


name: Ecopipam
cas: 190133-94-9
chebiid: CHEBI:93645
dtxsid: DTXSID8043814
formula: C19H20ClNO
inchikey: DMJWENQHWZZWDF-PKOBYXMFSA-N
norman_susdat_id: NS00068098
pubchem_cid: 107930
smiles: CN1CCc2cc(Cl)c(O)cc2[C@H]2c3ccccc3CC[C@@H]21
inchi:
InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1


name: 4-dodecylbenzyltrimethylammonium chloride
cas: 19014-05-2
formula: C22H40N.Cl
inchikey: YGKOYVNJPRSSRX-UHFFFAOYSA-M
norman_susdat_id: NS00085681
smiles: [Cl-].CCCCCCCCCCCCc1ccc(C[N+](C)(C)C)cc1
inchi:
InChI=1/C22H40N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-21-16-18-22(19-17-21)20-23(2,3)4;/h16-19H,5-15,20H2,1-4H3;1H/q+1;/p-1


name: Benzenemethanaminiumâ€‹, 4-â€‹dodecyl-â€‹N,â€‹N,â€‹N-â€‹trimethyl-
cas: 19014052/1330-85-4
chemspiderid: 47063
dtxsid: DTXSID00197101
formula: C22H40N1
inchikey: QBHPUAZVNMMJCX-UHFFFAOYSA-N
norman_susdat_id: NS00013652
pubchem_cid: 52034
smiles: [Cl-].CCCCCCCCCCCCc1ccc(C[N+](C)(C)C)cc1
inchi:
InChI=1S/C22H40N.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-21-16-18-22(19-17-21)20-23(2,3)4;/h16-19H,5-15,20H2,1-4H3;1H/q+1;/p-1


name: 9,10-Anthracenedione, 1-amino-2-[4-[(hexahydro-2-oxo-1H-azepin-1-yl)methyl]phenoxy]-4-hydroxy-
cas: 19014-53-0
chemspiderid: 79300
dtxsid: DTXSID1066447
formula: C27H24N2O5
inchikey: MUABDJUHEPDWHI-UHFFFAOYSA-N
norman_susdat_id: NS00020760
pubchem_cid: 87897
smiles: Nc1c(Oc2ccc(CN3CCCCCC3=O)cc2)cc(O)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C27H24N2O5/c28-25-21(14-20(30)23-24(25)27(33)19-7-4-3-6-18(19)26(23)32)34-17-11-9-16(10-12-17)15-29-13-5-1-2-8-22(29)31/h3-4,6-7,9-12,14,30H,1-2,5,8,13,15,28H2


name: N,N'-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]bishexadecan-1-amide
cas: 19019-45-5
dtxsid: DTXSID10940564
formula: C38H78N4O2
inchikey: FFGPUOLFAAHGHS-UHFFFAOYSA-N
norman_susdat_id: NS00053721
pubchem_cid: 87899
smiles: O=C(NCCNCCNCCNC(=O)CCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
inchi:
InChI=1/C38H78N4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-37(43)41-35-33-39-31-32-40-34-36-42-38(44)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-40H,3-36H2,1-2H3,(H,41,43)(H,42,44)


name: 2-Acetamido-2-Deoxy-D-Glucono-1,5-Lactone
cas: 19026-22-3
formula: C8H13NO6
inchikey: NELQYZRSPDCGRQ-DBRKOABJSA-N
norman_susdat_id: NS00069978
pubchem_cid: 87901
smiles: CC(=O)N[C@H]1C(=O)O[C@H](CO)[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C8H13NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-7,10,12-13H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-/m1/s1


name: Phosphoric acid, aluminium iron salt
cas: 19034-12-9
formula: Al.xFe.xH3O4P
inchikey: KTLPWVDSBTUHQE-UHFFFAOYSA-N
norman_susdat_id: NS00085988
smiles: [AlH3].[Fe].OP(O)(O)=O
inchi:
InChI=1/Al.Fe.H3O4P.3H/c;;1-5(2,3)4;;;/h;;(H3,1,2,3,4);;;/q+3;+2;;;;/rAlH3.Fe.H3O4P/c;;1-5(2,3)4/h1H3;;(H3,1,2,3,4)/q+3;+2;


name: Potassium hexadecyl hydrogen phosphate
cas: 19035-79-1
formula: C16H35O4P.K
inchikey: RMGVATURDVPNOZ-UHFFFAOYSA-M
norman_susdat_id: NS00086088
smiles: [K+].[O-]P(O)(=O)OCCCCCCCCCCCCCCCC
inchi:
InChI=1/C16H35O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-16H2,1H3,(H2,17,18,19);/q;+1/p-1


name: 3,3′-(Perfluoro-1-cyclopentene-1,2-diyl)bis(2,5-dimethylthiophene)
cas: 190394-25-3
dtxsid: DTXSID10893364
formula: C17H14F6S2
inchikey: TWYKYBTVPCIVEN-UHFFFAOYSA-N
norman_susdat_id: NS00109303
smiles: CC1=CC(=C(C)S1)C1=C(C2=C(C)SC(C)=C2)C(F)(F)C(F)(F)C1(F)F
inchi:
InChI=1S/C17H14F6S2/c1-7-5-11(9(3)24-7)13-14(12-6-8(2)25-10(12)4)16(20,21)17(22,23)15(13,18)19/h5-6H,1-4H3


name: 17ß-hydroxyandrosta-1,4-dien-3-one benzoate
cas: 19041-66-8
dtxsid: DTXSID10940605
formula: C26H30O3
inchikey: QYOIZDDZJSQWGQ-IXKNJLPQSA-N
norman_susdat_id: NS00052696
pubchem_cid: 14550546
smiles: O=C1C=CC2(C(=C1)CCC3C2CCC4(C)C(OC(=O)C=5C=CC=CC5)CCC34)C
inchi:
InChI=1/C26H30O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,12,14,16,20-23H,8-11,13,15H2,1-2H3


name: Oryzalin
cas: 19044-88-3
chebiid: CHEBI:73163
chemspiderid: 27326
dtxsid: DTXSID8024238
formula: C12H18N4O6S1
inchikey: UNAHYJYOSSSJHH-UHFFFAOYSA-N
norman_susdat_id: NS00000515
pubchem_cid: 29393
smiles: [O-][N+](=O)c1cc(cc([N+]([O-])=O)c1N(CCC)CCC)S(=O)(=O)N
inchi:
InChI=1S/C12H18N4O6S/c1-3-5-14(6-4-2)12-10(15(17)18)7-9(23(13,21)22)8-11(12)16(19)20/h7-8H,3-6H2,1-2H3,(H2,13,21,22)


name: Dipotassium hexadecyl phosphate
cas: 19045-75-1
formula: C16H35O4P.2K
inchikey: CNXJITYCNQNTBD-UHFFFAOYSA-L
norman_susdat_id: NS00086011
smiles: [K+].[K+].CCCCCCCCCCCCCCCCOP(=O)([O-])[O-]
inchi:
InChI=1/C16H35O4P.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;;/h2-16H2,1H3,(H2,17,18,19);;/q;2*+1/p-2


name: Potassium didodecyl phosphate
cas: 19045-76-2
chemspiderid: 2283260
dtxsid: DTXSID70172526
formula: C24H51O4P1
inchikey: YHHPCYZEOOYQKM-UHFFFAOYSA-M
norman_susdat_id: NS00026225
pubchem_cid: 23663668
smiles: [K+].CCCCCCCCCCCCOP(=O)([O-])OCCCCCCCCCCCC
inchi:
InChI=1S/C24H51O4P/c1-3-5-7-9-11-13-15-17-19-21-23-27-29(25,26)28-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,25,26)


name: Dipotassium dodecyl phosphate
cas: 19045-77-3
formula: C12H27O4P.2K
inchikey: GWTCIAGIKURVBJ-UHFFFAOYSA-L
norman_susdat_id: NS00083361
smiles: [K+].[K+].CCCCCCCCCCCCOP(=O)([O-])[O-]
inchi:
InChI=1/C12H27O4P.2K/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;/h2-12H2,1H3,(H2,13,14,15);;/q;2*+1/p-2


name: Potassium dioctyl phosphate
cas: 19045-78-4
formula: C16H35O4P.K
inchikey: BEBZGUYUDTXNSQ-UHFFFAOYSA-M
norman_susdat_id: NS00083362
smiles: [K+].CCCCCCCCOP(=O)([O-])OCCCCCCCC
inchi:
InChI=1/C16H35O4P.K/c1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2;/h3-16H2,1-2H3,(H,17,18);/q;+1/p-1


name: Succinyl Amp
cas: 19046-78-7
dtxsid: DTXSID80864869
formula: C14H18N5O11P
inchikey: OFBHPPMPBOJXRT-VWJPMABRSA-N
norman_susdat_id: NS00069784
pubchem_cid: 447145
smiles: O=C(O)C[C@H](Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O)C(=O)O
inchi:
InChI=1S/C14H18N5O11P/c20-7(21)1-5(14(24)25)18-11-8-12(16-3-15-11)19(4-17-8)13-10(23)9(22)6(30-13)2-29-31(26,27)28/h3-6,9-10,13,22-23H,1-2H2,(H,20,21)(H,24,25)(H,15,16,18)(H2,26,27,28)/t5-,6+,9+,10+,13+/m0/s1


name: Dioctadecyl phosphonate
cas: 19047-85-9
dtxsid: DTXSID60885077
formula: C36H75O3P
inchikey: LUJKYTUFQMQIBA-UHFFFAOYSA-N
norman_susdat_id: NS00048258
pubchem_cid: 87917
smiles: O=P(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C36H75O3P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-40(37)39-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h40H,3-36H2,1-2H3


name: Quindecamine
cas: 19056-26-9
chemspiderid: 20622
dtxsid: DTXSID40172538
formula: C30H38N4
inchikey: GZIJBIYIMDKOSA-UHFFFAOYSA-N
norman_susdat_id: NS00026229
pubchem_cid: 21943
smiles: Cc1cc(NCCCCCCCCCCNc2cc(C)nc3ccccc23)c2ccccc2n1
inchi:
InChI=1S/C30H38N4/c1-23-21-29(25-15-9-11-17-27(25)33-23)31-19-13-7-5-3-4-6-8-14-20-32-30-22-24(2)34-28-18-12-10-16-26(28)30/h9-12,15-18,21-22H,3-8,13-14,19-20H2,1-2H3,(H,31,33)(H,32,34)


name: Dioscin
cas: 19057-60-4
chebiid: CHEBI:74023
chemspiderid: 119245
formula: C45H72O16
inchikey: VNONINPVFQTJOC-ZGXDEBHDSA-N
norman_susdat_id: NS00093686
pubchem_cid: 23089582
smiles:
C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C)OC1


cas: 190651-18-4
inchikey: YSQBYHSWAPYORL-UHFFFAOYSA-N
norman_susdat_id: NS00078208
smiles: O.[I-].NC1C2SCC(C[n+]3ccccc3)=C(N2C1=O)C(O)=O
name:
1-{[(6R,7R)-7-amino-2-carboxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-en-3-yl]methyl}pyridinium iodide hydrate (1:1:1)


name: Triethyltin acetate
cas: 1907-13-7
formula: C8H18O2Sn
inchikey: WOUNUBHOYKWRNA-UHFFFAOYSA-M
norman_susdat_id: NS00081590
smiles: CC[Sn+](CC)CC.CC(=O)[O-]
inchi:
InChI=1/C2H4O2.3C2H5.Sn/c1-2(3)4;3*1-2;/h1H3,(H,3,4);3*1H2,2H3;/q;;;;+1/p-1/rC6H15Sn.C2H4O2/c1-4-7(5-2)6-3;1-2(3)4/h4-6H2,1-3H3;1H3,(H,3,4)/q+1;/p-1


name: 2,2'-Methylenebis(4,6-di-tert-butyl-m-cresol)
cas: 19072-77-6
chemspiderid: 79324
dtxsid: DTXSID50172569
formula: C31H48O2
inchikey: HJZQRZCQTNIROB-UHFFFAOYSA-N
norman_susdat_id: NS00026233
pubchem_cid: 87924
smiles: Cc1c(Cc2c(O)c(cc(c2C)C(C)(C)C)C(C)(C)C)c(O)c(cc1C(C)(C)C)C(C)(C)C
inchi:
InChI=1S/C31H48O2/c1-18-20(26(32)24(30(9,10)11)16-22(18)28(3,4)5)15-21-19(2)23(29(6,7)8)17-25(27(21)33)31(12,13)14/h16-17,32-33H,15H2,1-14H3


name: Bis(2-ethylhexyl) dodecanedioate
cas: 19074-24-9
dtxsid: DTXSID80885079
formula: C28H54O4
inchikey: MTPSFISGWJGUGN-UHFFFAOYSA-N
norman_susdat_id: NS00048259
pubchem_cid: 29401
smiles: O=C(OCC(CC)CCCC)CCCCCCCCCCC(=O)OCC(CC)CCCC
inchi:
InChI=1/C28H54O4/c1-5-9-19-25(7-3)23-31-27(29)21-17-15-13-11-12-14-16-18-22-28(30)32-24-26(8-4)20-10-6-2/h25-26H,5-24H2,1-4H3


name: Tris(2,5-xylyl) phosphate
cas: 19074-59-0
dtxsid: DTXSID90940648
formula: C24H27O4P
inchikey: MDHAARLWBHZGIP-UHFFFAOYSA-N
norman_susdat_id: NS00048300
pubchem_cid: 29402
smiles: O=P(OC1=CC(=CC=C1C)C)(OC2=CC(=CC=C2C)C)OC3=CC(=CC=C3C)C
inchi:
InChI=1/C24H27O4P/c1-16-7-10-19(4)22(13-16)26-29(25,27-23-14-17(2)8-11-20(23)5)28-24-15-18(3)9-12-21(24)6/h7-15H,1-6H3


name: Acetamide, N-[4-[(2-pyridinylamino)sulfonyl]phenyl]-
cas: 19077-98-6
chebiid: CHEBI:165191
chemspiderid: 52841
dtxsid: DTXSID5066453
formula: C13H13N3O3S1
inchikey: CYLYVXPHAQLXFG-UHFFFAOYSA-N
norman_susdat_id: NS00008156
pubchem_cid: 58638
smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1ccccn1
inchi:
InChI=1S/C13H13N3O3S/c1-10(17)15-11-5-7-12(8-6-11)20(18,19)16-13-4-2-3-9-14-13/h2-9H,1H3,(H,14,16)(H,15,17)


name: Bepreve
cas: 190786-44-8
dtxsid: DTXSID80172577
formula: C21H25ClN2O3
inchikey: YWGDOWXRIALTES-OAQYLSRUSA-N
norman_susdat_id: NS00069487
smiles: O=C(O)CCCN1CCC(O[C@H](c2ccc(Cl)cc2)c2ccccn2)CC1
inchi:
InChI=1S/C21H25ClN2O3/c22-17-8-6-16(7-9-17)21(19-4-1-2-12-23-19)27-18-10-14-24(15-11-18)13-3-5-20(25)26/h1-2,4,6-9,12,18,21H,3,5,10-11,13-15H2,(H,25,26)/t21-/m1/s1


name: Cholest-5-en-3-ß-yl laurate
cas: 1908-11-8
formula: C39H68O2
inchikey: RMLFYKFCGMSLTB-ZBDFTZOCSA-N
norman_susdat_id: NS00044949
pubchem_cid: 102182
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCCCCCC
inchi:
InChI=1/C39H68O2/c1-7-8-9-10-11-12-13-14-15-19-37(40)41-32-24-26-38(5)31(28-32)20-21-33-35-23-22-34(30(4)18-16-17-29(2)3)39(35,6)27-25-36(33)38/h20,29-30,32-36H,7-19,21-28H2,1-6H3


name: 5-(4-chlorophenyl)-6-ethylpyrimidine-2,4-diamine hydrochloride
cas: 19085-09-7
formula: C12H13ClN4.ClH
inchikey: JZCLIFPQURTYFA-UHFFFAOYSA-N
norman_susdat_id: NS00083068
smiles: Cl.CCc1nc(N)nc(N)c1c2ccc(Cl)cc2
inchi:
InChI=1/C12H13ClN4.ClH/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7;/h3-6H,2H2,1H3,(H4,14,15,16,17);1H


name: Disodium hydrogen 3,5-disulphonatobenzoate
cas: 19089-55-5
formula: C7H6O8S2.2Na
inchikey: NCBDBWXOBUXRIC-UHFFFAOYSA-K
norman_susdat_id: NS00083069
smiles: [Na+].[Na+].[O-]C(=O)c1cc(cc(c1)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C7H6O8S2.2Na/c8-7(9)4-1-5(16(10,11)12)3-6(2-4)17(13,14)15;;/h1-3H,(H,8,9)(H,10,11,12)(H,13,14,15);;/q;2*+1/p-3


name: Coronene
cas: 191-07-1
chebiid: CHEBI:29863
chemspiderid: 8761
dtxsid: DTXSID5047740
formula: C24H12
inchikey: VPUGDVKSAQVFFS-UHFFFAOYSA-N
norman_susdat_id: NS00004856
pubchem_cid: 9115
smiles: c1cc2ccc3ccc4ccc5ccc6ccc1c1c2c3c4c5c61
inchi:
InChI=1S/C24H12/c1-2-14-5-6-16-9-11-18-12-10-17-8-7-15-4-3-13(1)19-20(14)22(16)24(18)23(17)21(15)19/h1-12H


name: Pyranthrene
cas: 191-13-9
chebiid: CHEBI:33159
dtxsid: DTXSID80172613
formula: C30H16
inchikey: LNKHTYQPVMAJSF-UHFFFAOYSA-N
norman_susdat_id: NS00041484
pubchem_cid: 67447
smiles: C=1C=CC2=C(C1)C=C3C=CC4=CC=5C=6C=CC=CC6C=C7C=CC8=CC2=C3C4=C8C75
inchi:
InChI=1/C30H16/c1-3-7-23-17(5-1)13-19-9-11-22-16-26-24-8-4-2-6-18(24)14-20-10-12-21-15-25(23)27(19)29(22)30(21)28(20)26/h1-16H


name: Dibenzo[a,l]pyrene
cas: 191-30-0
chebiid: CHEBI:35861
chemspiderid: 8765
dtxsid: DTXSID9059753
formula: C24H14
inchikey: JNTHRSHGARDABO-UHFFFAOYSA-N
norman_susdat_id: NS00019597
pubchem_cid: 9119
smiles: c1cc2c(cc1)c1c3c(ccc4c3c(ccc4)c3c1cccc3)c2
eea_notation: CAS_191-30-0
inchi:
InChI=1S/C24H14/c1-2-8-18-16(6-1)14-17-13-12-15-7-5-11-20-19-9-3-4-10-21(19)24(18)23(17)22(15)20/h1-14H


name: Diacenaphtho[1,2-j:1',2'-l]fluoranthene
cas: 191-48-0
chemspiderid: 60773
dtxsid: DTXSID4059754
formula: C36H18
inchikey: CUIWZLHUNCCYBL-UHFFFAOYSA-N
norman_susdat_id: NS00026244
pubchem_cid: 67448
smiles: c1cc2cccc3c2c(c1)c1c3c2c(c3c4c2cccc4ccc3)c2c1c1c3c2cccc3ccc1
inchi:
InChI=1S/C36H18/c1-7-19-8-2-14-23-28(19)22(13-1)31-32(23)34-26-17-5-11-21-12-6-18-27(30(21)26)36(34)35-25-16-4-10-20-9-3-15-24(29(20)25)33(31)35/h1-18H


name: Dibenzo(g,p)chrysene
cas: 191-68-4
chemspiderid: 8814
dtxsid: DTXSID50172620
formula: C26H16
inchikey: GQDKQZAEQBGVBS-UHFFFAOYSA-N
norman_susdat_id: NS00026250
pubchem_cid: 67449
smiles: c1cc2c(cc1)c1c(c3ccccc3c3ccccc13)c1c2cccc1
inchi:
InChI=1S/C26H16/c1-5-13-21-17(9-1)18-10-2-6-14-22(18)26-24-16-8-4-12-20(24)19-11-3-7-15-23(19)25(21)26/h1-16H


name: Lanthanum, tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-βO3,βO5)-
cas: 19106-89-9
dtxsid: DTXSID30897304
formula: C30H30F21LaO6
inchikey: JOMDRFHDFPOLDV-VNGPFPIXSA-K
norman_susdat_id: NS00110151
inchi:
InChI=1S/3C10H11F7O2.La/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*4,18H,1-3H3;/q;;;+3/p-3/b3*5-4-;

smiles:
[La+3].CC(C)(C)C([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)F


name: Telithromycin
cas: 191114-48-4
chemspiderid: 10628581
dtxsid: DTXSID3046455
formula: C43H65N5O10
inchikey: LJVAJPDWBABPEJ-UHFFFAOYSA-N
norman_susdat_id: NS00002486
pubchem_cid: 21881641
inchi:
InChI=1S/C43H65N5O10/c1-12-33-43(8)37(48(41(53)58-43)19-14-13-18-47-23-31(45-24-47)30-16-15-17-44-22-30)27(4)34(49)25(2)21-42(7,54-11)38(28(5)35(50)29(6)39(52)56-33)57-40-36(51)32(46(9)10)20-26(3)55-40/h15-17,22-29,32-33,36-38,40,51H,12-14,18-21H2,1-11H3

smiles:
CCC1OC(=O)C(C)C(=O)C(C)C(OC2OC(C)CC(C2O)N(C)C)C(C)(CC(C)C(=O)C(C)C2N(CCCCn3cnc(c3)-c3cccnc3)C(=O)OC12C)OC


name: 6-nitrocholest-5-en-3-ß-yl acetate
cas: 1912-54-5
dtxsid: DTXSID50940720
formula: C29H48NO4
inchikey: HBNDZPJHNAAEAB-XGRWYXQASA-N
norman_susdat_id: NS00045670
pubchem_cid: 102183
smiles: O=C(OC1CC2=C([N+](=O)[O-])CC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)C
inchi:
InChI=1/C29H47NO4/c1-18(2)8-7-9-19(3)23-10-11-24-22-17-27(30(32)33)26-16-21(34-20(4)31)12-14-29(26,6)25(22)13-15-28(23,24)5/h18-19,21-25H,7-17H2,1-6H3


name: Tin dioleate
cas: 1912-84-1
formula: C18H34O2.1/2Sn
inchikey: PMUZYLYHGBOQMX-CVBJKYQLSA-L
norman_susdat_id: NS00081591
smiles: [Sn+4].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H34O2.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+4/p-2


name: Solasonine
cas: 19121-58-5
chebiid: CHEBI:9191
formula: C45H73NO16
inchikey: QCTMYNGDIBTNSK-XEAAVONHSA-N
norman_susdat_id: NS00048370
pubchem_cid: 119247
inchi:
InChI=1/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3

smiles:
OCC1OC(OC2C(O)C(OC(OC3CC4=CCC5C(CCC6(C)C5CC7OC8(NCC(C)CC8)C(C)C76)C4(C)CC3)C2OC9OC(C)C(O)C(O)C9O)CO)C(O)C(O)C1O


name: Pramipexole dihydrochloride monohydrate
cas: 191217-81-9
chebiid: CHEBI:51147
dtxsid: DTXSID1044227
formula: C10H21Cl2N3OS
inchikey: APVQOOKHDZVJEX-QTPLPEIMSA-N
norman_susdat_id: NS00076191
smiles: O.Cl.Cl.CCCN[C@H]1CCC2=C(C1)SC(N)=N2
inchi:
InChI=1S/C10H17N3S.2ClH.H2O/c1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8;;;/h7,12H,2-6H2,1H3,(H2,11,13);2*1H;1H2/t7-;;;/m0.../s1


cas: 191226-98-9
chemspiderid: 8455153
dtxsid: DTXSID80437719
formula: C25H35N3O7S1
inchikey: CQGKCZKCWMWXQP-XZOQPEGZSA-N
norman_susdat_id: NS00005248
pubchem_cid: 10279676
smiles: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)S(=O)(=O)c1ccc(cc1)[N+]([O-])=O
name:
tert-Butyl {(2S,3R)-3-hydroxy-4-[(2-methylpropyl)(4-nitrobenzene-1-sulfonyl)amino]-1-phenylbutan-2-yl}carbamate

inchi:
InChI=1S/C25H35N3O7S/c1-18(2)16-27(36(33,34)21-13-11-20(12-14-21)28(31)32)17-23(29)22(15-19-9-7-6-8-10-19)26-24(30)35-25(3,4)5/h6-14,18,22-23,29H,15-17H2,1-5H3,(H,26,30)/t22-,23+/m0/s1


name: Solvent Yellow 43
cas: 19125-99-6
chemspiderid: 79334
dtxsid: DTXSID3051830
formula: C20H24N2O2
inchikey: DXWHZJXKTHGHQF-UHFFFAOYSA-N
norman_susdat_id: NS00019457
pubchem_cid: 87935
smiles: CCCCNc1ccc2c(=O)n(CCCC)c(=O)c3cccc1c23
inchi:
InChI=1S/C20H24N2O2/c1-3-5-12-21-17-11-10-16-18-14(17)8-7-9-15(18)19(23)22(20(16)24)13-6-4-2/h7-11,21H,3-6,12-13H2,1-2H3


name: 4-tert-butyl hydrogen N-[(tert-butoxy)carbonyl]-L-aspartate, compound with dicyclohexylamine (1:1)
cas: 1913-12-8
formula: C13H23NO6
inchikey: OMYRDWOMNDCKEJ-QRPNPIFTSA-N
norman_susdat_id: NS00046195
pubchem_cid: 4089981
smiles: O=C(OC(C)(C)C)NC(C(=O)O)CC(=O)OC(C)(C)C.N(C1CCCCC1)C2CCCCC2
inchi:
InChI=1/C13H23NO6.C12H23N/c1-12(2,3)19-9(15)7-8(10(16)17)14-11(18)20-13(4,5)6;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h8H,7H2,1-6H3,(H,14,18)(H,16,17);11-13H,1-10H2


cas: 1913-93-5
chemspiderid: 21159554
dtxsid: DTXSID10172646
formula: C38H44N2O12
inchikey: AGXCADFSYJNMEG-UHFFFAOYSA-N
norman_susdat_id: NS00026243
pubchem_cid: 3083740
name:
N,N'-((3-Oxo-1(3H)-isobenzofuranylidene)bis((6-hydroxy-2-methyl-5-(1-methylethyl)-3,1-phenylene)methylene))bis(N-(carboxymethyl)glycine)

inchi:
InChI=1S/C38H44N2O12/c1-19(2)24-11-29(21(5)26(35(24)49)13-39(15-31(41)42)16-32(43)44)38(28-10-8-7-9-23(28)37(51)52-38)30-12-25(20(3)4)36(50)27(22(30)6)14-40(17-33(45)46)18-34(47)48/h7-12,19-20,49-50H,13-18H2,1-6H3,(H,41,42)(H,43,44)(H,45,46)(H,47,48)

smiles:
CC(C)c1cc(c(C)c(C[NH+](CC(=O)O)CC(=O)[O-])c1O)C1(OC(=O)c2c1cccc2)c1c(C)c(C[NH+](CC(=O)O)CC(=O)[O-])c(O)c(c1)C(C)C


name: 4-Nitrophenyl 4-((aminoiminomethyl)amino)benzoate monohydrochloride
cas: 19135-17-2
chemspiderid: 28527
dtxsid: DTXSID20172652
formula: C14H12N4O4
inchikey: PKSBDZOBYIKNGY-UHFFFAOYSA-N
norman_susdat_id: NS00026241
pubchem_cid: 2853494
smiles: [Cl-].NC(=Nc1ccc(cc1)C(=O)Oc1ccc(cc1)[N+](=O)[O-])N.[H+]
inchi:
InChI=1S/C14H12N4O4/c15-14(16)17-10-3-1-9(2-4-10)13(19)22-12-7-5-11(6-8-12)18(20)21/h1-8H,(H4,15,16,17)


name: Dihexyl (2E)-2-butenedioate
cas: 19139-31-2
chemspiderid: 4436360
dtxsid: DTXSID00893393
formula: C16H28O4
inchikey: QMCVOSQFZZCSLN-QXMHVHEDSA-N
norman_susdat_id: NS00012227
pubchem_cid: 5271573
smiles: CCCCCCOC(=O)C=C/C(=O)OCCCCCC
inchi:
InChI=1S/C16H28O4/c1-3-5-7-9-13-19-15(17)11-12-16(18)20-14-10-8-6-4-2/h11-12H,3-10,13-14H2,1-2H3/b12-11-


name: 2,7-Naphthalenedisulfonic acid, 3,6-bis[(4-chloro-2-phosphonophenyl)azo]-4,5-dihydroxy-
cas: 1914-99-4
dtxsid: DTXSID5062057
formula: C22H16Cl2N4O14P2S2
inchikey: LMBABJNSZGKTBA-UHFFFAOYSA-N
norman_susdat_id: NS00044950
pubchem_cid: 135456181
inchi:
InChI=1/C22H16Cl2N4O14P2S2/c23-10-1-3-12(14(7-10)43(31,32)33)25-27-19-16(45(37,38)39)5-9-6-17(46(40,41)42)20(22(30)18(9)21(19)29)28-26-13-4-2-11(24)8-15(13)44(34,35)36/h1-8,29-30H,(H2,31,32,33)(H2,34,35,36)(H,37,38,39)(H,40,41,42)

smiles:
O=P(O)(O)C1=CC(Cl)=CC=C1N=NC2=C(O)C=3C(O)=C(N=NC4=CC=C(Cl)C=C4P(=O)(O)O)C(=CC3C=C2S(=O)(=O)O)S(=O)(=O)O


name: Magnesium 1,4-bis(2-ethylhexyl) 2-sulphonatosuccinate
cas: 19149-47-4
formula: C20H38O7S.1/2Mg
inchikey: PDXLOCCLJHHYAP-UHFFFAOYSA-M
norman_susdat_id: NS00083399
smiles: [Mg+2].CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C20H38O7S.Mg/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2;/h16-18H,5-15H2,1-4H3,(H,23,24,25);/q;+2/p-1


name: (Z)-octadec-9-enyl laurate
cas: 19149-85-0
chebiid: CHEBI:165698
formula: C30H58O2
inchikey: UGHVFDVVZRNMHY-NXVVXOECSA-N
norman_susdat_id: NS00048372
pubchem_cid: 6436499
smiles: O=C(OCCCCCCCCC=CCCCCCCCC)CCCCCCCCCCC
inchi:
InChI=1/C30H58O2/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-27-29-32-30(31)28-26-24-22-20-12-10-8-6-4-2/h15-16H,3-14,17-29H2,1-2H3


name: Oleyl octanoate
cas: 19149-86-1
formula: C26H50O2
inchikey: DFHRKKNQGGEVPA-YPKPFQOOSA-N
norman_susdat_id: NS00047605
pubchem_cid: 6436500
smiles: O=C(OCCCCCCCCC=CCCCCCCCC)CCCCCCC
inchi:
InChI=1/C26H50O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25-28-26(27)24-22-20-8-6-4-2/h13-14H,3-12,15-25H2,1-2H3


name: Perfluorononanal hydrate
cas: 191528-99-1
chemspiderid: 3249
formula: C9H3F17O2
inchikey: OEUDULXFLZPWCL-UHFFFAOYSA-N
norman_susdat_id: NS00011197
pubchem_cid: 17763149
smiles: FC(C(F)(F)C(F)(F)C(F)(F)C(O)O)(F)C(F)(F)C(F)(C(F)(F)C(F)(F)F)F
inchi:
InChI=1S/C9H3F17O2/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26/h1,27-28H


name: Diazene, bis(2,4,6-trinitrophenyl)-
cas: 19159-68-3
chemspiderid: 453267
dtxsid: DTXSID0066458
formula: C12H4N8O12
inchikey: PSDIVOYKWCKHLG-UHFFFAOYSA-N
norman_susdat_id: NS00026248
pubchem_cid: 519640
inchi:
InChI=1S/C12H4N8O12/c21-15(22)5-1-7(17(25)26)11(8(2-5)18(27)28)13-14-12-9(19(29)30)3-6(16(23)24)4-10(12)20(31)32/h1-4H/b14-13+

smiles:
[O-][N+](=O)c1cc(c(N=Nc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-]


name: Butanedioic acid, 2,3-bis[(4-methoxybenzoyl)oxy]-, (2S,3S)-
cas: 191605-10-4
chemspiderid: 8448975
formula: C20H18O10
inchikey: KWWCVCFQHGKOMI-UHFFFAOYSA-N
norman_susdat_id: NS00003056
pubchem_cid: 10273497
smiles: COc1ccc(cc1)C(=O)OC(C(OC(=O)c1ccc(OC)cc1)C(O)=O)C(O)=O
inchi:
InChI=1S/C20H18O10/c1-27-13-7-3-11(4-8-13)19(25)29-15(17(21)22)16(18(23)24)30-20(26)12-5-9-14(28-2)10-6-12/h3-10,15-16H,1-2H3,(H,21,22)(H,23,24)


name: Bis[bis(2-hydroxyethyl)dithiocarbamato-S,S']zinc
cas: 19163-92-9
formula: C10H20N2O4S4Zn
inchikey: BRJVMKALQCUXPN-UHFFFAOYSA-L
norman_susdat_id: NS00083106
smiles: OCCN(CCO)C(=S)S[Zn]SC(=S)N(CCO)CCO
inchi:
InChI=1/2C5H11NO2S2.Zn/c2*7-3-1-6(2-4-8)5(9)10;/h2*7-8H,1-4H2,(H,9,10);/q;;+2/p-2/rC10H20N2O4S4Zn/c13-5-1-11(2-6-14)9(17)19-21-20-10(18)12(3-7-15)4-8-16/h13-16H,1-8H2


cas: 19163-98-5
dtxsid: DTXSID5066459
formula: C24H26Cl2N3O4S
inchikey: IMDXVKVCQNKAQT-UHFFFAOYSA-N
norman_susdat_id: NS00047618
pubchem_cid: NA
smiles: O=S(=O)([O-])CCCN1C2=CC(Cl)=C(Cl)C=C2N(C1=CC=CC=3OC=4C=CC=CC4[N+]3CC)CC
name:
2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(3-sulphonatopropyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethylbenzoxazolium

inchi:
InChI=1/C24H25Cl2N3O4S/c1-3-27-20-15-17(25)18(26)16-21(20)29(13-8-14-34(30,31)32)23(27)11-7-12-24-28(4-2)19-9-5-6-10-22(19)33-24/h5-7,9-12,15-16H,3-4,8,13-14H2,1-2H3


cas: 191680-81-6
dtxsid: DTXSID10107312
norman_susdat_id: NS00112801
name:
1,3-Propanediamine, N1,N1-1,2-ethanediylbis-, reaction products with cyclohexane and peroxidized N-butyl-2,2,6,6-tetramethyl-4-piperidinamine-2,4,6-trichloro-1,3,5-triazine reaction products


name: Bromomethyl phenyl sulfone
cas: 19169-90-5
chemspiderid: 64259
dtxsid: DTXSID60298360
formula: C22H29F1O4
inchikey: IKGBPSZWCRRUQS-DTAAKRQUSA-N
norman_susdat_id: NS00000122
pubchem_cid: 71106
smiles: O=C(C)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(C(=C/C(=O)C=C1)CC[C@H]4[C@@H]2C[C@@H]3C)C)C
inchi:
InChI=1S/C22H29FO4/c1-12-9-17-16-6-5-14-10-15(25)7-8-19(14,3)21(16,23)18(26)11-20(17,4)22(12,27)13(2)24/h7-8,10,12,16-18,26-27H,5-6,9,11H2,1-4H3/t12-,16-,17-,18-,19-,20-,21-,22-/m0/s1


name: Pomalidomide
cas: 19171-19-8
dtxsid: DTXSID40893458
formula: C13H11N3O4
inchikey: UVSMNLNDYGZFPF-QMMMGPOBSA-N
norman_susdat_id: NS00069624
pubchem_cid: 9965330
smiles: Nc1cccc2c1C(=O)N([C@H]1CCC(=O)NC1=O)C2=O
inchi:
InChI=1S/C13H11N3O4/c14-7-3-1-2-6-10(7)13(20)16(12(6)19)8-4-5-9(17)15-11(8)18/h1-3,8H,4-5,14H2,(H,15,17,18)/t8-/m0/s1


name: 1,3,2,4-Dithiadiphosphetane, 2,4-bis(4-methoxyphenyl)-, 2,4-disulfide
cas: 19172-47-5
chemspiderid: 79346
dtxsid: DTXSID4066460
formula: C14H14O2P2S4
inchikey: CFHGBZLNZZVTAY-UHFFFAOYSA-N
norman_susdat_id: NS00026251
pubchem_cid: 87949
smiles: COc1ccc(cc1)P1(=S)SP(=S)(S1)c1ccc(OC)cc1
inchi:
InChI=1S/C14H14O2P2S4/c1-15-11-3-7-13(8-4-11)17(19)21-18(20,22-17)14-9-5-12(16-2)6-10-14/h3-10H,1-2H3/t17-,18+


name: Lenalidomide
cas: 191732-72-6
chebiid: CHEBI:63791
chemspiderid: 187515
dtxsid: DTXSID8046664
formula: C13H13N3O3
inchikey: GOTYRUGSSMKFNF-UHFFFAOYSA-N
norman_susdat_id: NS00003666
pubchem_cid: 216326
smiles: Nc1cccc2C(=O)N(Cc12)C1CCC(=O)NC1=O
inchi:
InChI=1S/C13H13N3O3/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18/h1-3,10H,4-6,14H2,(H,15,17,18)


name: 4,7,11-trioxa-16-azatetracyclo[8.7.0.0³,?.0¹²,¹?]heptadeca-1,3(8),9-trien-17-one
cas: 191744-13-5
dtxsid: DTXSID30912324
formula: C13H13NO4
inchikey: RQEPVMAYUINZRE-GFCCVEGCSA-N
norman_susdat_id: NS00069664
pubchem_cid: 5288002
smiles: O=C1c2cc3c(cc2O[C@@H]2CCCN12)OCCO3
inchi:
InChI=1S/C13H13NO4/c15-13-8-6-10-11(17-5-4-16-10)7-9(8)18-12-2-1-3-14(12)13/h6-7,12H,1-5H2/t12-/m1/s1


name: N-Ethyl-4-octyl-N-(4-octylphenyl)aniline
cas: 19182-05-9
chemspiderid: 79350
dtxsid: DTXSID40172715
formula: C30H47N1
inchikey: SCZZLKXIDKQDDI-UHFFFAOYSA-N
norman_susdat_id: NS00026255
pubchem_cid: 87953
smiles: CCCCCCCCc1ccc(cc1)N(CC)c1ccc(CCCCCCCC)cc1
inchi:
InChI=1S/C30H47N/c1-4-7-9-11-13-15-17-27-19-23-29(24-20-27)31(6-3)30-25-21-28(22-26-30)18-16-14-12-10-8-5-2/h19-26H,4-18H2,1-3H3


name: Yttrium, tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-βO,βO')- (9CI)
cas: 19186-73-3
dtxsid: DTXSID90897305
formula: C30H30F21O6Y
inchikey: VIKDXVKRSULJMT-VNGPFPIXSA-K
norman_susdat_id: NS00112215
inchi:
InChI=1S/3C10H11F7O2.Y/c3*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h3*4,18H,1-3H3;/q;;;+3/p-3/b3*5-4-;

smiles:
[Y+3].CC(C)(C)C([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)F


name: Tris(tribromoneopentyl)phosphate
cas: 19186-97-1
chemspiderid: 2283268
dtxsid: DTXSID0058691
formula: C15H24Br9O4P1
inchikey: BHYQWBKCXBXPKM-UHFFFAOYSA-N
norman_susdat_id: NS00002527
pubchem_cid: 3015044
smiles: BrCC(CBr)(CBr)COP(=O)(OCC(CBr)(CBr)CBr)OCC(CBr)(CBr)CBr
inchi:
InChI=1S/C15H24Br9O4P/c16-1-13(2-17,3-18)10-26-29(25,27-11-14(4-19,5-20)6-21)28-12-15(7-22,8-23)9-24/h1-12H2


name: 1,3,5-Triazine, 2,4,6-triphenoxy-
cas: 1919-48-8
chemspiderid: 9883
dtxsid: DTXSID9062061
formula: C21H15N3O3
inchikey: IYDYVVVAQKFGBS-UHFFFAOYSA-N
norman_susdat_id: NS00026259
pubchem_cid: 15973
smiles: O(c1ccccc1)c1nc(Oc2ccccc2)nc(Oc2ccccc2)n1
inchi:
InChI=1S/C21H15N3O3/c1-4-10-16(11-5-1)25-19-22-20(26-17-12-6-2-7-13-17)24-21(23-19)27-18-14-8-3-9-15-18/h1-15H


name: 2-Naphthalenecarboxamide, 7-bromo-N-(2-methoxyphenyl)-3-(phosphonooxy)-
cas: 1919-91-1
chemspiderid: 19970651
dtxsid: DTXSID4062062
formula: C18H15Br1N1O6P1
inchikey: HUXIAXQSTATULQ-UHFFFAOYSA-N
norman_susdat_id: NS00026261
pubchem_cid: 74715
smiles: COc1c(NC(=O)c2c(OP(=O)([O-])[O-])cc3ccc(Br)cc3c2)cccc1
inchi:
InChI=1S/C18H15BrNO6P/c1-25-16-5-3-2-4-15(16)20-18(21)14-9-12-8-13(19)7-6-11(12)10-17(14)26-27(22,23)24/h2-10H,1H3,(H,20,21)(H2,22,23,24)


name: Cobalt dioleate
cas: 19192-71-3
formula: C18H34O2.1/2Co
inchikey: LHEFLUZWISWYSQ-CVBJKYQLSA-L
norman_susdat_id: NS00082758
smiles: [Co+2].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H34O2.Co/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2


name: Hexadecylguanidine monohydrochloride
cas: 19196-09-9
dtxsid: DTXSID40940835
formula: C17H37N3
inchikey: ULHAAWVGJFZJGC-UHFFFAOYSA-N
norman_susdat_id: NS00048971
pubchem_cid: 29492
smiles: Cl.N=C(N)NCCCCCCCCCCCCCCCC
inchi:
InChI=1/C17H37N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17(18)19;/h2-16H2,1H3,(H4,18,19,20);1H


name: Marticin
cas: 19196-45-3
chemspiderid: 2341395
dtxsid: DTXSID80891837
formula: C18H16O9
inchikey: HNMWDXUKPJZOQD-UHFFFAOYSA-N
norman_susdat_id: NS00094909
pubchem_cid: 3084307
smiles: CC12CC3=C(C4=C(C(=O)C=C(C4=O)OC)C(=C3C(O1)CC(O2)C(=O)O)O)O
inchi:
InChI=1S/C18H16O9/c1-18-5-6-11(8(26-18)4-10(27-18)17(23)24)16(22)12-7(19)3-9(25-2)15(21)13(12)14(6)20/h3,8,10,20,22H,4-5H2,1-2H3,(H,23,24)


name: Isomarticin
cas: 19196-46-4
dtxsid: DTXSID20891811
formula: C18H16O9
inchikey: HNMWDXUKPJZOQD-XPBDJYBLSA-N
norman_susdat_id: NS00094884
smiles: CC12CC3=C(C4=C(C(=O)C=C(C4=O)OC)C(=C3C(O1)C[C@@H](O2)C(=O)O)O)O
inchi:
InChI=1S/C18H16O9/c1-18-5-6-11(8(26-18)4-10(27-18)17(23)24)16(22)12-7(19)3-9(25-2)15(21)13(12)14(6)20/h3,8,10,20,22H,4-5H2,1-2H3,(H,23,24)/t8?,10-,18?/m1/s1


name: Decyl 3,4,5-trihydroxybenzoate
cas: 19198-75-5
chemspiderid: 79353
dtxsid: DTXSID10172742
formula: C17H26O5
inchikey: AOTRKUOCGUXQCY-UHFFFAOYSA-N
norman_susdat_id: NS00026260
pubchem_cid: 87956
smiles: CCCCCCCCCCOC(=O)c1cc(O)c(O)c(O)c1
inchi:
InChI=1S/C17H26O5/c1-2-3-4-5-6-7-8-9-10-22-17(21)13-11-14(18)16(20)15(19)12-13/h11-12,18-20H,2-10H2,1H3


name: Dibenzo(a,e)pyrene
cas: 192-65-4
chebiid: CHEBI:82442
chemspiderid: 8772
dtxsid: DTXSID3052690
formula: C24H14
inchikey: KGHMWBNEMFNJFZ-UHFFFAOYSA-N
norman_susdat_id: NS00019598
pubchem_cid: 9126
smiles: c1cc2c(cc1)c1cc3ccccc3c3ccc4cccc2c4c13
eea_notation: CAS_192-65-4
inchi:
InChI=1S/C24H14/c1-2-8-17-16(6-1)14-22-19-10-4-3-9-18(19)20-11-5-7-15-12-13-21(17)24(22)23(15)20/h1-14H


name: Tetrabutylplumbane
cas: 1920-90-7
formula: C16H36Pb
inchikey: KDQHJGWPOQNCMI-UHFFFAOYSA-N
norman_susdat_id: NS00081635
smiles: CCCC[Pb](CCCC)(CCCC)CCCC
inchi:
InChI=1/4C4H9.Pb/c4*1-3-4-2;/h4*1,3-4H2,2H3;/rC16H36Pb/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3


cas: 192003-74-0
norman_susdat_id: NS00076121
name:
1-Propanaminium, N,N,N-trimethyl-3-[(2-methyl-1-oxo-2-propen-1-yl)amino]-, chloride (1:1), polymer with ethyl 2-propenoate and sodium 2-propenoate (1:1)


name: 2-(6-methoxy-3-methyl-2(3H)-benzothiazolylidene)-N-phenylethanethioamide
cas: 19201-39-9
dtxsid: DTXSID50940846
formula: C17H16N2OS2
inchikey: DOWNCJYKXRRKRN-UHFFFAOYSA-N
norman_susdat_id: NS00048972
pubchem_cid: NA
smiles: S=C(C=C1SC2=CC(OC)=CC=C2N1C)NC=3C=CC=CC3
inchi:
InChI=1/C17H16N2OS2/c1-19-14-9-8-13(20-2)10-15(14)22-17(19)11-16(21)18-12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,21)


name: Hinokiflavone
cas: 19202-36-9
chebiid: CHEBI:5721
chemspiderid: 4444946
dtxsid: DTXSID90172760
formula: C30H18O10
inchikey: WTDHMFBJQJSTMH-UHFFFAOYSA-N
norman_susdat_id: NS00026264
pubchem_cid: 5281627
smiles: Oc1ccc(cc1)c1cc(=O)c2c(o1)cc(O)c(Oc1ccc(cc1)c1cc(=O)c3c(o1)cc(O)cc3O)c2O
inchi:
InChI=1S/C30H18O10/c31-16-5-1-14(2-6-16)24-12-21(35)28-26(40-24)13-22(36)30(29(28)37)38-18-7-3-15(4-8-18)23-11-20(34)27-19(33)9-17(32)10-25(27)39-23/h1-13,31-33,36-37H


name: Dibenzyl (1-methyl-4-oxoimidazolidin-2-ylidene)phosphoramidate
cas: 19208-69-6
dtxsid: DTXSID80940854
formula: C18H20N3O4P
inchikey: FFEFFWWQHCAWCF-UHFFFAOYSA-N
norman_susdat_id: NS00048387
pubchem_cid: NA
smiles: O=C1NC(=NP(=O)(OCC=2C=CC=CC2)OCC=3C=CC=CC3)N(C)C1
inchi:
InChI=1/C18H20N3O4P/c1-21-12-17(22)19-18(21)20-26(23,24-13-15-8-4-2-5-9-15)25-14-16-10-6-3-7-11-16/h2-11H,12-14H2,1H3,(H,19,20,22,23)


cas: 19210-12-9
chemspiderid: 3430705
formula: C24H30O11
inchikey: KVRQGMOSZKPBNS-UHFFFAOYSA-N
norman_susdat_id: NS00048407
pubchem_cid: 4221373
smiles: O=C(OC1(C)CC(O)C2(O)C=COC(OC3OC(CO)C(O)C(O)C3O)C21)C=CC=4C=CC=CC4
name:
[1S-[1a,4aa,5a,7a(E),7aa]]-1,4a,5,6,7,7a-hexahydro-4a,5-dihydroxy-7-methyl-7-[(allyl-1-oxo-3-phenyl)oxy]cyclopenta[c]pyran-1-yl-ß-D-glucopyranoside

inchi:
InChI=1/C24H30O11/c1-23(35-16(27)8-7-13-5-3-2-4-6-13)11-15(26)24(31)9-10-32-22(20(23)24)34-21-19(30)18(29)17(28)14(12-25)33-21/h2-10,14-15,17-22,25-26,28-31H,11-12H2,1H3


name: N2,N6-bis(1-oxooctyl)-L-lysine
cas: 19213-75-3
dtxsid: DTXSID70940868
formula: C22H42N2O4
inchikey: FFRCNMMHOOKLAK-IBGZPJMESA-N
norman_susdat_id: NS00047692
pubchem_cid: 21116273
smiles: O=C(NCCCCC(NC(=O)CCCCCCC)C(=O)O)CCCCCCC
inchi:
InChI=1/C22H42N2O4/c1-3-5-7-9-11-16-20(25)23-18-14-13-15-19(22(27)28)24-21(26)17-12-10-8-6-4-2/h19H,3-18H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)


name: Prazosin
cas: 19216-56-9
chebiid: CHEBI:8364
chemspiderid: 4724
dtxsid: DTXSID4049082
formula: C19H21N5O4
inchikey: IENZQIKPVFGBNW-UHFFFAOYSA-N
norman_susdat_id: NS00006462
pubchem_cid: 4893
smiles: COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1
inchi:
InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)


name: Tipifarnib
cas: 192185-72-1
chebiid: CHEBI:141969
dtxsid: DTXSID5041140
formula: C27H22Cl2N4O
inchikey: PLHJCIYEEKOWNM-HHHXNRCGSA-N
norman_susdat_id: NS00071731
pubchem_cid: 159324
smiles: Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
inchi:
InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3/t27-/m1/s1


name: 16-a,17-a-epoxy-3-ß-hydroxy-16-ß-methylpregn-5-en-20-one
cas: 1922-48-1
dtxsid: DTXSID20940878
formula: C22H32O3
inchikey: LMVLICSGVDWDSM-ZBJWQKIUSA-N
norman_susdat_id: NS00045732
pubchem_cid: 102184
smiles: O=C(C)C12OC2(C)CC3C4CC=C5CC(O)CCC5(C)C4CCC31C
inchi:
InChI=1/C22H32O3/c1-13(23)22-20(3)10-8-17-16(18(20)12-21(22,4)25-22)6-5-14-11-15(24)7-9-19(14,17)2/h5,15-18,24H,6-12H2,1-4H3


name: 16beta,17-Epoxy-3beta-hydroxy-17alpha-pregn-5-en-20-one
cas: 1922-49-2
dtxsid: DTXSID80172794
formula: C21H30O3
inchikey: UQVIXFCYKBWZPJ-YRQPXTNQSA-N
norman_susdat_id: NS00094796
smiles: CC(=O)[C@]12O[C@H]1C[C@H]1[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]21C
inchi:
InChI=1S/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3/t14-,15+,16-,17-,18-,19-,20-,21-/m0/s1


name: 1H-Naphtho[2,3-c]pyran, 3,4,6,7,8,9-hexahydro-4,6,6,9,9-pentamethyl-
cas: 1922-67-4
chemspiderid: 92779
dtxsid: DTXSID00862781
formula: C18H26O1
inchikey: HIEQGQHLWHRFOV-UHFFFAOYSA-N
norman_susdat_id: NS00012548
pubchem_cid: 102714
smiles: CC1COCc2cc3c(cc12)C(C)(C)CCC3(C)C
inchi:
InChI=1S/C18H26O/c1-12-10-19-11-13-8-15-16(9-14(12)13)18(4,5)7-6-17(15,2)3/h8-9,12H,6-7,10-11H2,1-5H3


name: 1,3-diamino-5-phenylphenazinium chloride
cas: 19220-17-8
dtxsid: DTXSID90940880
formula: C18H15N4
inchikey: ROPQCOBYNJQQRZ-UHFFFAOYSA-N
norman_susdat_id: NS00048440
pubchem_cid: 87966
smiles: [Cl-].N=1C=2C=CC=CC2[N+](C=3C=CC=CC3)=C4C=C(N)C=C(N)C14
inchi:
InChI=1/C18H14N4.ClH/c19-12-10-14(20)18-17(11-12)22(13-6-2-1-3-7-13)16-9-5-4-8-15(16)21-18;/h1-11H,(H3,19,20);1H


name: Allyltris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)stannane
cas: 192212-66-1
dtxsid: DTXSID40440946
formula: C27H17F39Sn
inchikey: RMDIHFFKXXTNGQ-UHFFFAOYSA-N
norman_susdat_id: NS00110212
inchi:
InChI=1S/3C8H4F13.C3H5.Sn/c3*1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;1-3-2;/h3*1-2H2;3H,1-2H2;

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Sn](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC=C


name: 3-[(Lauramidoethyl)dimethylammonio]-2-hydroxypropanesulfonate
cas: 19223-55-3
chemspiderid: 75659
dtxsid: DTXSID40893392
formula: C20H43N2O5S1
inchikey: IXOCGRPBILEGOX-UHFFFAOYSA-N
norman_susdat_id: NS00003103
pubchem_cid: 83841
smiles: CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(O)CS([O-])(=O)=O
inchi:
InChI=1S/C20H42N2O5S/c1-4-5-6-7-8-9-10-11-12-14-20(24)21-15-13-16-22(2,3)17-19(23)18-28(25,26)27/h19,23H,4-18H2,1-3H3,(H-,21,24,25,26,27)


name: 2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bisethyl diacetate
cas: 19224-29-4
dtxsid: DTXSID50172802
formula: C23H28O6
inchikey: HBDPNIKSHRQAJF-UHFFFAOYSA-N
norman_susdat_id: NS00048441
pubchem_cid: 87970
smiles: O=C(OCCOC1=CC=C(C=C1)C(C2=CC=C(OCCOC(=O)C)C=C2)(C)C)C
inchi:
InChI=1/C23H28O6/c1-17(24)26-13-15-28-21-9-5-19(6-10-21)23(3,4)20-7-11-22(12-8-20)29-16-14-27-18(2)25/h5-12H,13-16H2,1-4H3


cas: 192268-64-7
norman_susdat_id: NS00112486
name:
1,6-HEXANEDIAMINE, N,N-BIS(2,2,6,6-TETRAMETHYL-4-PIPERIDINYL)-, POLYMER WITH 2,4,6-TRICHLORO-1,3,5-TRIAZINE, REACTION PRODUCTS WITH N-BUTYL-2,2,6,6-TETRAMETHYL-4-PIPERIDINAMINE


cas: 192268-65-8
formula: C22H23O3PS
inchikey: ATEDZYPNONNYFN-UHFFFAOYSA-N
norman_susdat_id: NS00073819
smiles: CC(C)(C)c1cccc(OP(=S)(Oc2ccccc2)Oc2ccccc2)c1
name:
phosphorothioic acid, o,o,o-triphenyl esters, tert-bu derivs;phosphorothioic acid, o,o,o-triphenyl esters, tert-bu derivs.;a mixture of: triphenylthiophosphate and tertiary butylated phenyl derivatives;reaction mass of: triphenylthiophosphate and tertiary butylated phenyl derivatives;tka 40116;phosphorothioic acid, o,o,o-triphenyl esters, tert-bu derivs phosphorothioic acid, o,o,o-triphenyl esters, tert-bu derivs. a mixture of: triphenylthiophosphate and tertiary butylated phenyl derivatives reaction mass of: triphenylthiophosphate and tertiary butylated phenyl derivatives tka 40116

inchi:
InChI=1S/C22H23O3PS/c1-22(2,3)18-11-10-16-21(17-18)25-26(27,23-19-12-6-4-7-13-19)24-20-14-8-5-9-15-20/h4-17H,1-3H3


name: Tetrabutylammonium perchlorate
cas: 1923-70-2
formula: C16H36N.ClO4
inchikey: KBLZDCFTQSIIOH-UHFFFAOYSA-M
norman_susdat_id: NS00081251
smiles: CCCC[N+](CCCC)(CCCC)CCCC.[O-]Cl(=O)(=O)=O
inchi:
InChI=1/C16H36N.ClHO4/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;2-1(3,4)5/h5-16H2,1-4H3;(H,2,3,4,5)/q+1;/p-1


name: Iclaprim
cas: 192314-93-5
chebiid: CHEBI:131752
dtxsid: DTXSID70870191
formula: C19H22N4O3
inchikey: HWJPWWYTGBZDEG-AWEZNQCLSA-N
norman_susdat_id: NS00069152
pubchem_cid: 10247560
smiles: COc1cc(Cc2cnc(N)nc2N)c2c(c1OC)O[C@H](C1CC1)C=C2
inchi:
InChI=1S/C19H22N4O3/c1-24-15-8-11(7-12-9-22-19(21)23-18(12)20)13-5-6-14(10-3-4-10)26-16(13)17(15)25-2/h5-6,8-10,14H,3-4,7H2,1-2H3,(H4,20,21,22,23)/t14-/m0/s1


name: Prinomastat
cas: 192329-42-3
chebiid: CHEBI:138885
dtxsid: DTXSID3043946
formula: C18H21N3O5S2
inchikey: YKPYIPVDTNNYCN-INIZCTEOSA-N
norman_susdat_id: NS00068314
pubchem_cid: 466151
smiles: CC1(C)SCCN(S(=O)(=O)c2ccc(Oc3ccncc3)cc2)[C@H]1C(=O)NO
inchi:
InChI=1S/C18H21N3O5S2/c1-18(2)16(17(22)20-23)21(11-12-27-18)28(24,25)15-5-3-13(4-6-15)26-14-7-9-19-10-8-14/h3-10,16,23H,11-12H2,1-2H3,(H,20,22)/t16-/m0/s1


name: Prazosin hydrochloride
cas: 19237-84-4
chebiid: CHEBI:8365
dtxsid: DTXSID50172822
formula: C19H22ClN5O4
inchikey: WFXFYZULCQKPIP-UHFFFAOYSA-N
norman_susdat_id: NS00076318
smiles: Cl.COC1=C(OC)C=C2C(N)=NC(=NC2=C1)N1CCN(CC1)C(=O)C1=CC=CO1
inchi:
InChI=1S/C19H21N5O4.ClH/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14;/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22);1H


name: Monocarboxyoctyl phthalate
cas: 1923895-92-4
chebiid: CHEBI:132574
dtxsid: DTXSID00873155
formula: C17H22O6
inchikey: JJZDVFQRUJRRSA-UHFFFAOYSA-N
norman_susdat_id: NS00076979
smiles: CC(CCCC(C)C(O)=O)COC(=O)C1=C(C=CC=C1)C(O)=O
inchi:
InChI=1/C17H22O6/c1-11(6-5-7-12(2)15(18)19)10-23-17(22)14-9-4-3-8-13(14)16(20)21/h3-4,8-9,11-12H,5-7,10H2,1-2H3,(H,18,19)(H,20,21)


name: 4H-1,3,5-Oxadiazin-4-imine, tetrahydro-3-methyl-N-nitro-5-[[2-(phenylthio)-5-thiazolyl]methyl]-
cas: 192439-46-6
chemspiderid: 23350202
dtxsid: DTXSID60889095
formula: C14H15N5O3S2
inchikey: DPRKJAQMHKISEQ-SSZFMOIBSA-N
norman_susdat_id: NS00021800
pubchem_cid: 10981378
smiles: CN1COCN(C1=N[N+](=O)[O-])CC2=CN=C(S2)SC3=CC=CC=C3
inchi:
InChI=1S/C14H15N5O3S2/c1-17-9-22-10-18(13(17)16-19(20)21)8-12-7-15-14(24-12)23-11-5-3-2-4-6-11/h2-7H,8-10H2,1H3/b16-13+


name: Acetyltrialanine
cas: 19245-85-3
chemspiderid: 3383537
dtxsid: DTXSID30172840
formula: C11H19N3O5
inchikey: DRYOODAJROGPQO-ACZMJKKPSA-N
norman_susdat_id: NS00015343
pubchem_cid: 5483957
smiles: CC(C(=O)NC(C)C(=O)NC(C)C(=O)O)NC(=O)C
inchi:
InChI=1S/C11H19N3O5/c1-5(12-8(4)15)9(16)13-6(2)10(17)14-7(3)11(18)19/h5-7H,1-4H3,(H,12,15)(H,13,16)(H,14,17)(H,18,19)/t5-,6-,7-/m0/s1


name: 4,4'-methylenebis[N-(4-chlorophenyl)-3-hydroxynaphthalene-2-carboxamide]
cas: 192463-88-0
chemspiderid: 57495365
formula: C35H24Cl2N2O4
inchikey: PUJQFYHBQJGONX-UHFFFAOYSA-N
norman_susdat_id: NS00007094
pubchem_cid: 91998135
smiles: Oc1c(cc2ccccc2c1Cc1c(O)c(cc2ccccc12)C(=O)Nc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1
inchi:
InChI=1S/C35H24Cl2N2O4/c36-22-9-13-24(14-10-22)38-34(42)30-17-20-5-1-3-7-26(20)28(32(30)40)19-29-27-8-4-2-6-21(27)18-31(33(29)41)35(43)39-25-15-11-23(37)12-16-25/h1-18,40-41H,19H2,(H,38,42)(H,39,43)


name: OPC 51803
cas: 192514-54-8
dtxsid: DTXSID50172847
formula: C26H32ClN3O2
inchikey: INGXCNVWWKKWOO-LJQANCHMSA-N
norman_susdat_id: NS00069347
pubchem_cid: 3038506
smiles: CC(C)NC(=O)C[C@H]1CCCN(C(=O)c2ccc(N3CCCC3)cc2Cl)c2ccccc21
inchi:
InChI=1S/C26H32ClN3O2/c1-18(2)28-25(31)16-19-8-7-15-30(24-10-4-3-9-21(19)24)26(32)22-12-11-20(17-23(22)27)29-13-5-6-14-29/h3-4,9-12,17-19H,5-8,13-16H2,1-2H3,(H,28,31)/t19-/m1/s1


cas: 192575-94-3
dtxsid: DTXSID90882690
norman_susdat_id: NS00112003
name:
1-Propanol, 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[(1,1,2-trifluoro-2-propen-1-yl)oxy]propoxy]-, polymer with 1,1,1,2,2,3,3-heptafluoro-3-[(1,2,2-trifluoroethenyl)oxy]propane and 1,1,2,2-tetrafluoroethene


name: Clometocillin [INN:DCF]
cas: 1926-49-4
chebiid: CHEBI:131732
chemspiderid: 64831
dtxsid: DTXSID20172859
formula: C17H18Cl2N2O5S1
inchikey: JKXQBIZCQJLVOS-GSNLGQFWSA-N
norman_susdat_id: NS00011625
pubchem_cid: 71807
smiles: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(c3ccc(c(c3)Cl)Cl)OC)C(=O)O)C
inchi:
InChI=1S/C17H18Cl2N2O5S/c1-17(2)12(16(24)25)21-14(23)10(15(21)27-17)20-13(22)11(26-3)7-4-5-8(18)9(19)6-7/h4-6,10-12,15H,1-3H3,(H,20,22)(H,24,25)/t10-,11?,12+,15-/m1/s1


name: 6a-fluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-pivalate
cas: 1926-93-8
dtxsid: DTXSID50940922
formula: C27H37FO6
inchikey: BHXGVYISZWSEJE-ROLYQIAQSA-N
norman_susdat_id: NS00045696
pubchem_cid: 21117760
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(O)(C(=O)COC(=O)C(C)(C)C)C4(C)CC(O)C32)C
inchi:
InChI=1/C27H37FO6/c1-14-9-17-16-11-19(28)18-10-15(29)7-8-25(18,5)22(16)20(30)12-26(17,6)27(14,33)21(31)13-34-23(32)24(2,3)4/h7-8,10,14,16-17,19-20,22,30,33H,9,11-13H2,1-6H3


name: Dexamethasone 21-pivalate
cas: 1926-94-9
formula: C26H35FO6
inchikey: IMMAASKKOMCWSF-UHFFFAOYSA-N
norman_susdat_id: NS00045016
pubchem_cid: NA
smiles: O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)COC(=O)C(C)(C)C)C4(C)CC(O)C32F)C
inchi:
InChI=1/C26H35FO6/c1-22(2,3)21(31)33-14-20(30)25(32)11-9-17-18-7-6-15-12-16(28)8-10-23(15,4)26(18,27)19(29)13-24(17,25)5/h8,10,12,17-19,29,32H,6-7,9,11,13-14H2,1-5H3


cas: 192662-29-6
chemspiderid: NA
dtxsid: DTXSID00883077
formula: C12H18F9N2O4S1
inchikey: ISGGQMLKHAZRBO-UHFFFAOYSA-N
norman_susdat_id: NS00006143
pubchem_cid: NA
smiles: C[N](C)(CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(O)=O
name:
Sulfonamides, C4-8-alkane, perfluoro, N-[3-(dimethylamino)propyl], reaction products with acrylic acid

inchi:
InChI=1S/C12H18F9N2O4S/c1-23(2,7-4-8(24)25)6-3-5-22-28(26,27)12(20,21)10(15,16)9(13,14)11(17,18)19/h22H,3-7H2,1-2H3,(H,24,25)


name: Deoxyadenosine 5'-triphosphate (dATP)
cas: 1927-31-7
chebiid: CHEBI:16284
chemspiderid: 15194
formula: C10H16N5O12P3
inchikey: SUYVUBYJARFZHO-RRKCRQDMSA-N
norman_susdat_id: NS00014812
pubchem_cid: 15993
smiles: O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
inchi:
InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1


name: Lopinavir
cas: 192725-17-0
chebiid: CHEBI:31781
chemspiderid: 83706
dtxsid: DTXSID8046456
formula: C37H48N4O5
inchikey: KJHKTHWMRKYKJE-SUGCFTRWSA-N
norman_susdat_id: NS00008581
pubchem_cid: 92727
smiles: CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](Cc1ccccc1)NC(=O)COc1c(C)cccc1C)Cc1ccccc1
inchi:
InChI=1S/C37H48N4O5/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43)/t30-,31-,32-,34-/m0/s1


name: Methanone, 1,8-naphthalenediylbis[phenyl-
cas: 19274-72-7
chemspiderid: 79382
dtxsid: DTXSID8066474
formula: C24H16O2
inchikey: QPKUOOVISUGIRK-UHFFFAOYSA-N
norman_susdat_id: NS00026284
pubchem_cid: 87993
smiles: O=C(c1ccccc1)c1cccc2cccc(C(=O)c3ccccc3)c12
inchi:
InChI=1S/C24H16O2/c25-23(18-9-3-1-4-10-18)20-15-7-13-17-14-8-16-21(22(17)20)24(26)19-11-5-2-6-12-19/h1-16H


name: Pralnacasan
cas: 192755-52-5
dtxsid: DTXSID60172873
formula: C26H29N5O7
inchikey: CXAGHAZMQSCAKJ-WAHHBDPQSA-N
norman_susdat_id: NS00069746
pubchem_cid: 153270
smiles: CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12
inchi:
InChI=1S/C26H29N5O7/c1-2-37-26-18(14-21(33)38-26)29-23(34)19-8-5-13-30-20(32)10-9-17(25(36)31(19)30)28-24(35)22-16-7-4-3-6-15(16)11-12-27-22/h3-4,6-7,11-12,17-19,26H,2,5,8-10,13-14H2,1H3,(H,28,35)(H,29,34)/t17-,18-,19-,26+/m0/s1


name: N,N,N-Trimethyl-3-((1-oxooctadecyl)amino)-1-propanaminium methyl sulfate
cas: 19277-88-4
chemspiderid: 79385
dtxsid: DTXSID2049761
formula: C24H51N2O1
inchikey: QSFBUDDTFXACIS-UHFFFAOYSA-O
norman_susdat_id: NS00014114
pubchem_cid: 87996
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C.CO[S]([O-])(=O)=O
inchi:
InChI=1S/C24H50N2O.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(27)25-22-20-23-26(2,3)4;1-5-6(2,3)4/h5-23H2,1-4H3;1H3,(H,2,3,4)


name: 2,4-D 2-EHE
cas: 1928-43-4
chemspiderid: 30687884
dtxsid: DTXSID4034235
formula: C16H22Cl2O3
inchikey: QZSFJRIWRPJUOH-UHFFFAOYNA-N
norman_susdat_id: NS00020762
pubchem_cid: NA
smiles: CCCCC(CC)COC(=O)COc1ccc(Cl)cc1Cl
inchi:
InChI=1S/C16H22Cl2O3/c1-3-5-6-12(4-2)10-21-16(19)11-20-15-8-7-13(17)9-14(15)18/h7-9,12H,3-6,10-11H2,1-2H3/t12-/m1/s1


name: 2,4-D-octyl [ISO]
cas: 1928-44-5
chemspiderid: 15197
dtxsid: DTXSID00172877
formula: C16H22Cl2O3
inchikey: JWEDKKSQRXHXJD-UHFFFAOYSA-N
norman_susdat_id: NS00026288
pubchem_cid: 15996
smiles: CCCCCCCCOC(=O)COc1ccc(Cl)cc1Cl
inchi:
InChI=1S/C16H22Cl2O3/c1-2-3-4-5-6-7-10-20-16(19)12-21-15-9-8-13(17)11-14(15)18/h8-9,11H,2-7,10,12H2,1H3


name: 2,4,5-T 2-Ethylhexyl
cas: 1928-47-8
chemspiderid: 15199
dtxsid: DTXSID8041329
formula: C16H21Cl3O3
inchikey: MNELUOHPQMJXGU-UHFFFAOYNA-N
norman_susdat_id: NS00021801
pubchem_cid: NA
smiles: CCCCC(CC)COC(=O)COc1cc(Cl)c(Cl)cc1Cl
inchi:
InChI=1S/C16H21Cl3O3/c1-3-5-6-11(4-2)9-22-16(20)10-21-15-8-13(18)12(17)7-14(15)19/h7-8,11H,3-6,9-10H2,1-2H3/t11-/m1/s1


name: Aptocaine
cas: 19281-29-9
formula: C14H20N2O
inchikey: WJOQWLQQCYYQBE-UHFFFAOYSA-N
norman_susdat_id: NS00052697
pubchem_cid: 71695
smiles: O=C(NC=1C=CC=CC1C)C(N2CCCC2)C
inchi:
InChI=1/C14H20N2O/c1-11-7-3-4-8-13(11)15-14(17)12(2)16-9-5-6-10-16/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,15,17)


name: a-methyl-N-(o-tolyl)pyrrolidine-1-acetamide monohydrochloride
cas: 19281-32-4
formula: C14H20N2O.ClH
inchikey: JUSHHIAJHXVGRP-UHFFFAOYSA-N
norman_susdat_id: NS00086111
smiles: Cl.CC(N1CCCC1)C(=O)Nc2ccccc2C
inchi:
InChI=1/C14H20N2O.ClH/c1-11-7-3-4-8-13(11)15-14(17)12(2)16-9-5-6-10-16;/h3-4,7-8,12H,5-6,9-10H2,1-2H3,(H,15,17);1H


name: ES-936
cas: 192820-78-3
dtxsid: DTXSID20172879
formula: C18H16N2O6
inchikey: IBLWSLZYYZHSRG-UHFFFAOYSA-N
norman_susdat_id: NS00068323
pubchem_cid: 4470790
smiles: COC1=CC(=O)c2c(c(COc3ccc([N+](=O)[O-])cc3)c(C)n2C)C1=O
inchi:
InChI=1S/C18H16N2O6/c1-10-13(9-26-12-6-4-11(5-7-12)20(23)24)16-17(19(10)2)14(21)8-15(25-3)18(16)22/h4-8H,9H2,1-3H3


name: Fluvoxamino acid
cas: 192876-02-1
chemspiderid: 22546867
dtxsid: DTXSID30172885
formula: C14H19F3N2O2
inchikey: GCSLDHTZSDNYEC-CPNJWEJPSA-N
norman_susdat_id: NS00015492
pubchem_cid: 46781165
smiles: C1=CC(=CC=C1C(=NOCCN)CCCCO)C(F)(F)F
inchi:
InChI=1S/C14H19F3N2O2/c15-14(16,17)12-6-4-11(5-7-12)13(3-1-2-9-20)19-21-10-8-18/h4-7,20H,1-3,8-10,18H2/b19-13+


name: 1-cyclohexyl-3-[(3-nitro-p-tolyl)sulphonyl]urea
cas: 19288-66-5
dtxsid: DTXSID30940960
formula: C14H20N3O5S
inchikey: TUVKYMVGCJODMA-UHFFFAOYSA-N
norman_susdat_id: NS00052815
pubchem_cid: 88002
smiles: O=C(NC1CCCCC1)NS(=O)(=O)C2=CC=C(C(=C2)[N+](=O)[O-])C
inchi:
InChI=1/C14H19N3O5S/c1-10-7-8-12(9-13(10)17(19)20)23(21,22)16-14(18)15-11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3,(H2,15,16,18)


name: Estr-5-ene-3,17-dione
cas: 19289-77-1
dtxsid: DTXSID50940962
formula: C18H24O2
inchikey: WELNRNVZXWUOGT-QXUSFIETSA-N
norman_susdat_id: NS00052698
pubchem_cid: 18633059
smiles: O=C1CC2=CCC3C(CCC4(C(=O)CCC34)C)C2CC1
inchi:
InChI=1/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2,13-16H,3-10H2,1H3


name: 2,4-D-Butotyl
cas: 1929-73-3
chemspiderid: 15203
dtxsid: DTXSID1032309
formula: C14H18Cl2O4
inchikey: ZMWGIGHRZQTQRE-UHFFFAOYSA-N
norman_susdat_id: NS00009740
pubchem_cid: 16002
smiles: CCCCOCCOC(=O)COc1ccc(Cl)cc1Cl
inchi:
InChI=1S/C14H18Cl2O4/c1-2-3-6-18-7-8-19-14(17)10-20-13-5-4-11(15)9-12(13)16/h4-5,9H,2-3,6-8,10H2,1H3


name: Ximelagatran
cas: 192939-46-1
chebiid: CHEBI:136702
chemspiderid: 7848559
dtxsid: DTXSID5049075
formula: C24H35N5O5
inchikey: ZXIBCJHYVWYIKI-PZJWPPBQSA-N
norman_susdat_id: NS00004027
pubchem_cid: 5478933
smiles: CCOC(=O)CN[C@H](C1CCCCC1)C(=O)N1CC[C@H]1C(=O)NCc1ccc(cc1)C(N)=NO
inchi:
InChI=1S/C24H35N5O5/c1-2-34-20(30)15-26-21(17-6-4-3-5-7-17)24(32)29-13-12-19(29)23(31)27-14-16-8-10-18(11-9-16)22(25)28-33/h8-11,17,19,21,26,33H,2-7,12-15H2,1H3,(H2,25,28)(H,27,31)/t19-,21+/m0/s1


name: Decyl undecyl phthalate
cas: 19295-82-0
chemspiderid: 79248
dtxsid: DTXSID40172891
formula: C29H48O4
inchikey: WSVPEEMLBFYJQU-UHFFFAOYSA-N
norman_susdat_id: NS00026290
pubchem_cid: 88003
smiles: CCCCCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCCCCCCCC
inchi:
InChI=1S/C29H48O4/c1-3-5-7-9-11-13-15-17-21-25-33-29(31)27-23-19-18-22-26(27)28(30)32-24-20-16-14-12-10-8-6-4-2/h18-19,22-23H,3-17,20-21,24-25H2,1-2H3


name: 1-[(2,4-Dichlorophenyl)methyl]-2-methyl-N-(pentane-1-sulfonyl)-1H-benzimidazole-6-carboximidic acid
cas: 193012-35-0
dtxsid: DTXSID60940978
formula: C21H23Cl2N3O3S
inchikey: UYGZODVVDUIDDQ-UHFFFAOYSA-N
norman_susdat_id: NS00069326
smiles: CCCCCS(=O)(=O)NC(=O)c1ccc2nc(C)n(Cc3ccc(Cl)cc3Cl)c2c1
inchi:
InChI=1S/C21H23Cl2N3O3S/c1-3-4-5-10-30(28,29)25-21(27)15-7-9-19-20(11-15)26(14(2)24-19)13-16-6-8-17(22)12-18(16)23/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,25,27)


cas: 193018-53-0
dtxsid: DTXSID20883054
norman_susdat_id: NS00109642
name:
Copolymer of perfluoroethene, 1,1,2,2-tetrafluoro-3-iodopropoxyperfluoroethene and perfluoro(methoxyethene)


name: CTS-1027
cas: 193022-04-7
dtxsid: DTXSID90172907
formula: C19H20ClNO6S
inchikey: ROSNVSQTEGHUKU-UHFFFAOYSA-N
norman_susdat_id: NS00068484
pubchem_cid: 3342298
smiles: O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1
inchi:
InChI=1S/C19H20ClNO6S/c20-14-1-3-15(4-2-14)27-16-5-7-17(8-6-16)28(24,25)13-19(18(22)21-23)9-11-26-12-10-19/h1-8,23H,9-13H2,(H,21,22)


name: 1,1',1''-(1,3,5,5-tetramethylpent-1-ene-1,3,5-triyl)tribenzene
cas: 19303-34-5
dtxsid: DTXSID90885085
formula: C27H30
inchikey: LEOZNBAZHMBUST-UHFFFAOYSA-N
norman_susdat_id: NS00052699
pubchem_cid: 86847
smiles: C=1C=CC(=CC1)C(=CC(C=2C=CC=CC2)(C)CC(C=3C=CC=CC3)(C)C)C
inchi:
InChI=1/C27H30/c1-22(23-14-8-5-9-15-23)20-27(4,25-18-12-7-13-19-25)21-26(2,3)24-16-10-6-11-17-24/h5-20H,21H2,1-4H3


name: Ethyl ethyldimethyltetradecylammonium sulphate
cas: 19309-23-0
dtxsid: DTXSID50940982
formula: C18H40N
inchikey: LKHWQEOUPGUICK-UHFFFAOYSA-M
norman_susdat_id: NS00052816
pubchem_cid: 17800940
smiles: O=S(=O)([O-])OCC.CCCCCCCCCCCCCC[N+](C)(C)CC
inchi:
InChI=1/C18H40N.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19(3,4)6-2;1-2-6-7(3,4)5/h5-18H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


cas: 193098-40-7
dtxsid: DTXSID50107351
norman_susdat_id: NS00113136
name:
1,6-Hexanediamine, N1,N6-bis(2,2,6,6-tetramethyl-4-piperidinyl)-, polymers with morpholine-2,4,6-trichloro-1,3,5-triazine reaction products, methylated


name: Tris[4-(tridecafluorohexyl)phenyl]phosphine
cas: 193197-68-1
chemspiderid: 10141661
dtxsid: DTXSID40474908
formula: C36H12F39P1
inchikey: PJQMFFDXUGYQTO-UHFFFAOYSA-N
norman_susdat_id: NS00018836
pubchem_cid: 11967679
inchi:
InChI=1S/C36H12F39P/c37-19(38,22(43,44)25(49,50)28(55,56)31(61,62)34(67,68)69)13-1-7-16(8-2-13)76(17-9-3-14(4-10-17)20(39,40)23(45,46)26(51,52)29(57,58)32(63,64)35(70,71)72)18-11-5-15(6-12-18)21(41,42)24(47,48)27(53,54)30(59,60)33(65,66)36(73,74)75/h1-12H

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=CC=C(C=C1)P(C1=CC=C(C=C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1=CC=C(C=C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Nonanedioic acid, bis(phenylmethyl) ester
cas: 1932-84-9
chemspiderid: 67306
dtxsid: DTXSID4062068
formula: C23H28O4
inchikey: AEPUKSBIJZXFCI-UHFFFAOYSA-N
norman_susdat_id: NS00026296
pubchem_cid: 74734
smiles: O=C(CCCCCCCC(=O)OCc1ccccc1)OCc1ccccc1
inchi:
InChI=1S/C23H28O4/c24-22(26-18-20-12-6-4-7-13-20)16-10-2-1-3-11-17-23(25)27-19-21-14-8-5-9-15-21/h4-9,12-15H,1-3,10-11,16-19H2


name: Sodium mentholate
cas: 19321-38-1
formula: C10H20O.Na
inchikey: BEOYQTWZGYHQRO-UHFFFAOYSA-N
norman_susdat_id: NS00085729
smiles: CC(C)C1CCC(C)C(C1)O[Na]
inchi:
InChI=1/C10H19O.Na/c1-7(2)9-5-4-8(3)10(11)6-9;/h7-10H,4-6H2,1-3H3;/q-1;+1/rC10H19NaO/c1-7(2)9-5-4-8(3)10(6-9)12-11/h7-10H,4-6H2,1-3H3


name: Pentaerythrityl tetraoleate
cas: 19321-40-5
chemspiderid: 4941134
dtxsid: DTXSID80893371
formula: C77H140O8
inchikey: QTIMEBJTEBWHOB-PMDAXIHYSA-N
norman_susdat_id: NS00005594
pubchem_cid: 6436503
inchi:
InChI=1S/C77H140O8/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(78)82-69-77(70-83-74(79)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2,71-84-75(80)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)72-85-76(81)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4/h33-40H,5-32,41-72H2,1-4H3/b37-33-,38-34-,39-35-,40-36-

smiles:
CCCCCCCCC=C/CCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=C/CCCCCCCC)(COC(=O)CCCCCCCC=C/CCCCCCCC)COC(=O)CCCCCCCC=C/CCCCCCCC


name: Sodium 2-hydroxydodecane-1-sulphonate
cas: 19327-23-2
dtxsid: DTXSID00941000
formula: C12H26O4S
inchikey: YRYGQUYZXADJLY-UHFFFAOYSA-M
norman_susdat_id: NS00052424
pubchem_cid: 3015057
smiles: [Na+].O=S(=O)([O-])CC(O)CCCCCCCCCC
inchi:
InChI=1/C12H26O4S.Na/c1-2-3-4-5-6-7-8-9-10-12(13)11-17(14,15)16;/h12-13H,2-11H2,1H3,(H,14,15,16);/q;+1/p-1


name: Lonafarnib
cas: 193275-84-2
chebiid: CHEBI:47097
dtxsid: DTXSID90172927
formula: C27H31Br2ClN4O2
inchikey: DHMTURDWPRKSOA-RUZDIDTESA-N
norman_susdat_id: NS00069646
pubchem_cid: 148195
smiles: NC(=O)N1CCC(CC(=O)N2CCC([C@H]3c4ncc(Br)cc4CCc4cc(Cl)cc(Br)c43)CC2)CC1
inchi:
InChI=1S/C27H31Br2ClN4O2/c28-20-12-19-2-1-18-13-21(30)14-22(29)24(18)25(26(19)32-15-20)17-5-9-33(10-6-17)23(35)11-16-3-7-34(8-4-16)27(31)36/h12-17,25H,1-11H2,(H2,31,36)/t25-/m1/s1


name: 3,7-bis(ethylamino)-2,8-dimethylphenothiazin-5-ium chloride
cas: 1934-16-3
formula: C18H22N3S.Cl
inchikey: NZYCYASKVWSANA-UHFFFAOYSA-M
norman_susdat_id: NS00093617
smiles: [Cl-].CCNc1cc2[s+]c3cc(NCC)c(C)cc3nc2cc1C
inchi:
InChI=1/C18H22N3S.ClH/c1-5-19-13-9-17-15(7-11(13)3)21-16-8-12(4)14(20-6-2)10-18(16)22-17;/h7-10,19-20H,5-6H2,1-4H3;1H/q+1;/p-1


name: Sodium 6-hydroxy-5-phenylazo-2-naphthalenesulphonate
cas: 1934-20-9
dtxsid: DTXSID9062069
formula: C16H12N2O4S
inchikey: YOCIQNIEQYCORH-UHFFFAOYSA-M
norman_susdat_id: NS00045018
pubchem_cid: 16012
smiles: [Na+].O=S(=O)([O-])C1=CC=C2C(C=CC(O)=C2N=NC=3C=CC=CC3)=C1
inchi:
InChI=1/C16H12N2O4S.Na/c19-15-9-6-11-10-13(23(20,21)22)7-8-14(11)16(15)18-17-12-4-2-1-3-5-12;/h1-10,19H,(H,20,21,22);/q;+1/p-1


cas: 1934-21-0
dtxsid: DTXSID1021455
formula: C16H9N4Na3O9S2
inchikey: ZLWLTDZLUVBSRJ-GLCFPVLVSA-K
norman_susdat_id: NS00075656
smiles: [Na+].[Na+].[Na+].[O-]C(=O)C1=C(N=NC2=CC=C(C=C2)S([O-])(=O)=O)C(=O)N(N1)C1=CC=C(C=C1)S([O-])(=O)=O
name:
1H-Pyrazole-3-carboxylic acid, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-, sodium salt (1:3)

inchi:
InChI=1S/C16H12N4O9S2.3Na/c21-15-13(18-17-9-1-5-11(6-2-9)30(24,25)26)14(16(22)23)19-20(15)10-3-7-12(8-4-10)31(27,28)29;;;/h1-8,19H,(H,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3/b18-17+;;;


name: Disodium 4,5-dihydro-5-oxo-4-(phenylazo)-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
cas: 1934-22-1
formula: C16H12N4O6S
inchikey: RIJCRHVARLHLQC-UHFFFAOYSA-L
norman_susdat_id: NS00045736
pubchem_cid: 3014056
smiles: [Na+].[Na+].O=C([O-])C1=NN(C(=O)C1N=NC=2C=CC=CC2)C3=CC=C(C=C3)S(=O)(=O)[O-]
inchi:
InChI=1/C16H12N4O6S.2Na/c21-15-13(18-17-10-4-2-1-3-5-10)14(16(22)23)19-20(15)11-6-8-12(9-7-11)27(24,25)26;;/h1-9,13H,(H,22,23)(H,24,25,26);;/q;2*+1/p-2


name: Sodium 3-(5-hydroxy-3-methyl-1-phenylpyrazol-4-ylazo)-5-chloro-2-hydroxybenzenesulphonate
cas: 1934-24-3
dtxsid: DTXSID10894053
formula: C16H13ClN4O5S
inchikey: UIHSFHZXSZHNKF-UHFFFAOYSA-M
norman_susdat_id: NS00045083
pubchem_cid: NA
smiles: [Na+].O=S(=O)([O-])C=1C=C(Cl)C=C(N=NC2=C(O)N(N=C2C)C=3C=CC=CC3)C1O
inchi:
InChI=1/C16H13ClN4O5S.Na/c1-9-14(16(23)21(20-9)11-5-3-2-4-6-11)19-18-12-7-10(17)8-13(15(12)22)27(24,25)26;/h2-8,22-23H,1H3,(H,24,25,26);/q;+1/p-1


name: Palmitoylcarnitine
cas: 1935-18-8
chebiid: CHEBI:94442
chemspiderid: 448
formula: C23H46N1O4
inchikey: XOMRRQXKHMYMOC-UHFFFAOYSA-O
norman_susdat_id: NS00015653
pubchem_cid: 462
smiles: CCCCCCCCCCCCCCCC(=O)OC(CC(=O)O)C[N+](C)(C)C
inchi:
InChI=1S/C23H45NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)28-21(19-22(25)26)20-24(2,3)4/h21H,5-20H2,1-4H3/p+1


name: Calcifediol
cas: 19356-17-3
chebiid: CHEBI:17933
chemspiderid: 4446820
dtxsid: DTXSID0022721
formula: C27H44O2
inchikey: JWUBBDSIWDLEOM-DTOXIADCSA-N
norman_susdat_id: NS00026306
pubchem_cid: 5283731
smiles: C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2/C(=C/C=C3/C[C@@H](O)CCC3=C)/CCC[C@]12C
inchi:
InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1


name: Cortexolone 17-acetate
cas: 19357-45-0
chemspiderid: 78354
dtxsid: DTXSID10172964
formula: C23H32O5
inchikey: MNQKQGFLLDOCEI-JZTHCNPZSA-N
norman_susdat_id: NS00026307
pubchem_cid: 11876411
smiles: CC(=O)OC1(CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)C(=O)CO
inchi:
InChI=1S/C23H32O5/c1-14(25)28-23(20(27)13-24)11-8-19-17-5-4-15-12-16(26)6-9-21(15,2)18(17)7-10-22(19,23)3/h12,17-19,24H,4-11,13H2,1-3H3/t17-,18-,19-,21+,22+,23-/m1/s1


name: C.I. Acid Orange 10
cas: 1936-15-8
chemspiderid: 4675498
dtxsid: DTXSID6021082
formula: C16H12N2O7S2
inchikey: AISAHCWGHHGKRJ-FBMGVBCBSA-N
norman_susdat_id: NS00013482
pubchem_cid: 5743740
smiles: [Na+].[Na+].[O-][S](=O)(=O)c1cc2C=CC(=O)C(=N/Nc3ccccc3)c2c(c1)[S]([O-])(=O)=O
inchi:
InChI=1S/C16H12N2O7S2.2Na/c19-13-7-6-10-8-12(26(20,21)22)9-14(27(23,24)25)15(10)16(13)18-17-11-4-2-1-3-5-11;;/h1-9,17H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2/b18-16+;;


name: CYCLOPROTOBUXINE C
cas: 1936-70-5
chebiid: CHEBI:4029
chemspiderid: 233549
dtxsid: DTXSID80295472
formula: C27H48N2
inchikey: PLKVWYPBRRRIQG-QGSMACLHSA-N
norman_susdat_id: NS00094813
pubchem_cid: 265756
smiles: CN[C@H]1CC[C@]23C[C@]22CC[C@]4(C)[C@H](CC[C@@]4(C)[C@@H]2CC[C@H]3C1(C)C)[C@H](C)N(C)C
inchi:
InChI=1S/C27H48N2/c1-18(29(7)8)19-11-13-25(5)21-10-9-20-23(2,3)22(28-6)12-14-26(20)17-27(21,26)16-15-24(19,25)4/h18-22,28H,9-17H2,1-8H3/t18-,19+,20-,21-,22-,24+,25-,26+,27-/m0/s1


cas: 193635-71-1
dtxsid: DTXSID10107372
norman_susdat_id: NS00109124
name:
2-Propenoic acid, 2-methyl-, methyl ester, polymer with 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl 2-propenoate, peroxidized adipoyl chloride-triethylene glycol polymer-initiated


cas: 1937-34-4
formula: C37H32N6O17S4.4Na
inchikey: WNQPPENQFWLADQ-UHFFFAOYSA-J
norman_susdat_id: NS00081286
name:
Tetrasodium 4,4'-[carbonylbis[imino(5-methoxy-2-methyl-4,1-phenylene)azo]]bis[5-hydroxynaphthalene-2,7-disulphonate]

inchi:
InChI=1/C37H32N6O17S4.4Na/c1-17-5-27(33(59-3)15-25(17)40-42-29-11-21(61(47,48)49)7-19-9-23(63(53,54)55)13-31(44)35(19)29)38-37(46)39-28-6-18(2)26(16-34(28)60-4)41-43-30-12-22(62(50,51)52)8-20-10-24(64(56,57)58)14-32(45)36(20)30;;;;/h5-16,44-45H,1-4H3,(H2,38,39,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].COc6cc(N=Nc2cc(cc1cc(cc(O)c12)S([O-])(=O)=O)S([O-])(=O)=O)c(C)cc6NC(=O)Nc5cc(C)c(N=Nc4cc(cc3cc(cc(O)c34)S([O-])(=O)=O)S([O-])(=O)=O)cc5OC


cas: 1937-35-5
formula: C32H24N6O7S2
inchikey: NDHOYLRUTRKFBM-UHFFFAOYSA-L
norman_susdat_id: NS00045743
pubchem_cid: 121235
name:
Disodium 4-amino-3-[[4'-[(2-amino-8-hydroxy-6-sulphonatonaphthyl)azo][1,1'-biphenyl]-4-yl]azo]naphthalene-1-sulphonate

inchi:
InChI=1/C32H24N6O7S2.2Na/c33-26-14-9-20-15-23(46(40,41)42)16-28(39)30(20)32(26)38-36-22-12-7-19(8-13-22)18-5-10-21(11-6-18)35-37-27-17-29(47(43,44)45)24-3-1-2-4-25(24)31(27)34;;/h1-17,39H,33-34H2,(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(O)=C2C(C=CC(N)=C2N=NC3=CC=C(C=C3)C4=CC=C(N=NC=5C=C(C=6C=CC=CC6C5N)S(=O)(=O)[O-])C=C4)=C1


name: C.I. Direct Black 38
cas: 1937-37-7
chemspiderid: 17214995
dtxsid: DTXSID7020184
formula: C34H27N9O7S2
inchikey: XRPLBRIHZGVJIC-UVHCWRHYSA-L
norman_susdat_id: NS00020763
pubchem_cid: NA
inchi:
InChI=1S/C34H27N9O7S2/c35-22-10-15-27(26(36)18-22)41-38-24-11-6-19(7-12-24)20-8-13-25(14-9-20)40-42-32-28(51(45,46)47)16-21-17-29(52(48,49)50)33(34(44)30(21)31(32)37)43-39-23-4-2-1-3-5-23/h1-18,39H,35-37H2,(H,45,46,47)(H,48,49,50)/b41-38-,42-40+,43-33-

smiles:
[Na+].[Na+].Nc1cc(N)c(cc1)N=Nc1ccc(cc1)c1ccc(cc1)N=Nc1c(cc2C=C(C(=NNc3ccccc3)C(=O)c2c1N)S(=O)(=O)[O-])S(=O)(=O)[O-]


name: Sodium 5-[(4-amino-5-methoxy-o-tolyl)azo]-2-methoxybenzenesulphonate
cas: 1937-40-2
formula: C15H17N3O5S.Na
inchikey: VEZPAKWJFJTJJA-UHFFFAOYSA-M
norman_susdat_id: NS00081656
smiles: [Na+].Nc1cc(C)c(cc1OC)N=Nc2ccc(OC)c(c2)S([O-])(=O)=O
inchi:
InChI=1/C15H17N3O5S.Na/c1-9-6-11(16)14(23-3)8-12(9)18-17-10-4-5-13(22-2)15(7-10)24(19,20)21;/h4-8H,16H2,1-3H3,(H,19,20,21);/q;+1/p-1


name: Diammonium hexakis(thiocyanato)platinate
cas: 19372-45-3
formula: C6N6PtS6.2H4N
inchikey: VXNSIKCPSLASGA-UHFFFAOYSA-J
norman_susdat_id: NS00086143
smiles: [NH4+].[NH4+].N#CS[Pt-2](SC#N)(SC#N)(SC#N)(SC#N)SC#N
inchi:
InChI=1/6CHNS.2H3N.Pt/c6*2-1-3;;;/h6*3H;2*1H3;/q;;;;;;;;+4/p-4/rC6N6PtS6.2H3N/c7-1-14-13(15-2-8,16-3-9,17-4-10,18-5-11)19-6-12;;/h;2*1H3/q-2;;/p+2


name: Ethyl 3-ethyl-2-methylbenzothiazolium sulphate
cas: 19374-99-3
formula: C10H12NS.C2H5O4S
inchikey: SEDPVLBQLWLFFH-UHFFFAOYSA-M
norman_susdat_id: NS00086062
smiles: CCOS(=O)(=O)[O-].CC[n+]1c(C)sc2ccccc12
inchi:
InChI=1/C10H12NS.C2H6O4S/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;1-2-6-7(3,4)5/h4-7H,3H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


cas: 193744-04-6
formula: C26H30N4O3
inchikey: MRNGXYMKYHNMLV-PKTZIBPZSA-N
norman_susdat_id: NS00070927
pubchem_cid: 5288250
smiles: COC(=O)[C@H](Cc1ccc(C#Cc2ccccc2)cc1)NC(=O)C[C@H]1CCCN(C(=N)N)C1
name:
N-[[(3r)-1-(aminoiminomethyl)-3-piperidinyl]acetyl]-4-(phenylethynyl)-l-phenylalanine methyl ester trifluoroacetate

inchi:
InChI=1S/C26H30N4O3/c1-33-25(32)23(29-24(31)17-22-8-5-15-30(18-22)26(27)28)16-21-13-11-20(12-14-21)10-9-19-6-3-2-4-7-19/h2-4,6-7,11-14,22-23H,5,8,15-18H2,1H3,(H3,27,28)(H,29,31)/t22-,23+/m1/s1


name: Benzoxonium
cas: 19379-90-9
chebiid: CHEBI:135537
chemspiderid: 27484
formula: C23H42N1O2
inchikey: BTAFSOGRDASALR-UHFFFAOYSA-N
norman_susdat_id: NS00003731
pubchem_cid: 29564
smiles: CCCCCCCCCCCC[N+](CCO)(CCO)Cc1ccccc1
inchi:
InChI=1S/C23H42NO2/c1-2-3-4-5-6-7-8-9-10-14-17-24(18-20-25,19-21-26)22-23-15-12-11-13-16-23/h11-13,15-16,25-26H,2-10,14,17-22H2,1H3/q+1


name: Acid green No. 1
cas: 19381-50-1
chemspiderid: 360880
dtxsid: DTXSID4044406
formula: C10H7N1O5S1
inchi: InChI=1S/C10H7NO5S/c12-9-4-1-6-5-7(17(14,15)16)2-3-8(6)10(9)11-13/h1-5,12H,(H,14,15,16)
inchikey: ZHHKVLCBIBQGKO-HVBBDIOSSA-H
norman_susdat_id: NS00019651
pubchem_cid: NA
smiles:
[Na+].[Na+].[Na+].[Fe+++].[O-]c1c(N=O)c2c(cc1)cc(cc2)S(=O)(=O)[O-].[O-]c1c(N=O)c2c(cc1)cc(cc2)S(=O)(=O)[O-].[O-]c1c(N=O)c2c(cc1)cc(cc2)S(=O)(=O)[O-]


name: Ethyl beta-tricyclo(3.3.1.13,7)decyl-beta-oxopropionate
cas: 19386-06-2
chemspiderid: 78358
dtxsid: DTXSID40172997
formula: C15H22O3
inchikey: FOISHGXCIBGQJU-UHFFFAOYSA-N
norman_susdat_id: NS00026314
pubchem_cid: 86861
smiles: CCOC(=O)CC(=O)C12CC3CC(CC(C3)C1)C2
inchi:
InChI=1S/C15H22O3/c1-2-18-14(17)6-13(16)15-7-10-3-11(8-15)5-12(4-10)9-15/h10-12H,2-9H2,1H3/t10-,11+,12-,15-


name: Trimethylenediaminetetraacetic acid
cas: 1939-36-2
chemspiderid: 72537
dtxsid: DTXSID9029225
formula: C11H18N2O8
inchikey: DMQQXDPCRUGSQB-UHFFFAOYSA-N
norman_susdat_id: NS00006883
pubchem_cid: 80296
smiles: OC(=O)CN(CCCN(CC(O)=O)CC(O)=O)CC(O)=O
inchi:
InChI=1S/C11H18N2O8/c14-8(15)4-12(5-9(16)17)2-1-3-13(6-10(18)19)7-11(20)21/h1-7H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)


name: gadofosveset
cas: 193901-90-5
chemspiderid: 139382
formula: C33H44N3O14P1
inchikey: NZLPWFTXPYJYSS-AREMUKBSSA-N
norman_susdat_id: NS00005789
pubchem_cid: 158441
smiles: OC(=O)CN(CCN(CC(O)=O)CC(O)=O)C[C@H](COP(O)(=O)OC1CCC(CC1)(c1ccccc1)c1ccccc1)N(CC(O)=O)CC(O)=O
inchi:
InChI=1S/C33H44N3O14P/c37-28(38)18-34(15-16-35(19-29(39)40)20-30(41)42)17-26(36(21-31(43)44)22-32(45)46)23-49-51(47,48)50-27-11-13-33(14-12-27,24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-10,26-27H,11-23H2,(H,37,38)(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)/t26-/m1/s1


name: alpha-Phenylpiperidine-2-acetamide
cas: 19395-39-2
chemspiderid: 78359
dtxsid: DTXSID60864887
formula: C13H18N2O1
inchikey: LJLMNWPXAYKPGV-UHFFFAOYSA-N
norman_susdat_id: NS00000662
pubchem_cid: 86862
smiles: C1CCNC(C1)C(C2=CC=CC=C2)C(=O)N
inchi:
InChI=1S/C13H18N2O/c14-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-15-11/h1-3,6-7,11-12,15H,4-5,8-9H2,(H2,14,16)


name: Ritalinic acid
cas: 19395-41-6
chebiid: CHEBI:83481
chemspiderid: 78360
dtxsid: DTXSID20864888
formula: C13H17N1O2
inchikey: INGSNVSERUZOAK-UHFFFAOYSA-N
norman_susdat_id: NS00000318
pubchem_cid: 86863
smiles: c(ccc1C(C(=O)O)C(NCC2)CC2)cc1
inchi:
InChI=1S/C13H17NO2/c15-13(16)12(10-6-2-1-3-7-10)11-8-4-5-9-14-11/h1-3,6-7,11-12,14H,4-5,8-9H2,(H,15,16)


name: Moquizone
cas: 19395-58-5
chebiid: CHEBI:135482
chemspiderid: 56892
dtxsid: DTXSID60173007
formula: C20H21N3O3
inchikey: VCRQLDNIOXNDMT-UHFFFAOYSA-N
norman_susdat_id: NS00026317
pubchem_cid: 63216
smiles: [Cl-].O=C(CN1CCOCC1)N1CN(C(=O)c2ccccc12)c1ccccc1.[H+]
inchi:
InChI=1S/C20H21N3O3/c24-19(14-21-10-12-26-13-11-21)23-15-22(16-6-2-1-3-7-16)20(25)17-8-4-5-9-18(17)23/h1-9H,10-15H2


name: 2,3-dihydro-1-(morpholinoacetyl)-3-phenylquinazolin-4(1H)-one monohydrochloride
cas: 19395-78-9
formula: C20H21N3O3.ClH
inchikey: NUQJOBPPCCFWJG-UHFFFAOYSA-N
norman_susdat_id: NS00086176
smiles: Cl.O=C(CN1CCOCC1)N2CN(C(=O)c3ccccc23)c4ccccc4
inchi:
InChI=1/C20H21N3O3.ClH/c24-19(14-21-10-12-26-13-11-21)23-15-22(16-6-2-1-3-7-16)20(25)17-8-4-5-9-18(17)23;/h1-9H,10-15H2;1H


name: Sodium a-ethyl-1-hydroxy-4-phenylcyclohexaneacetate
cas: 19395-79-0
formula: C16H22O3.Na
inchikey: YJNNHGULDXPNFF-UHFFFAOYSA-M
norman_susdat_id: NS00086792
smiles: [Na+].CCC(C(=O)[O-])C1(O)CCC(CC1)c2ccccc2
inchi:
InChI=1/C16H22O3.Na/c1-2-14(15(17)18)16(19)10-8-13(9-11-16)12-6-4-3-5-7-12;/h3-7,13-14,19H,2,8-11H2,1H3,(H,17,18);/q;+1/p-1


name: Polyoxin B
cas: 19396-06-6
chemspiderid: 157773
dtxsid: DTXSID3058329
formula: C17H25N5O13
inchikey: YFZNSPMAOIVQRP-YAHZMLKDSA-N
norman_susdat_id: NS00026318
pubchem_cid: 121232782
smiles: N[C@@H]([C@H](O)[C@@H](O)COC(=O)N)C(=O)N[C@@H]([C@H]1O[C@H](C(O)C1O)n1cc(CO)c(=O)[nH]c1=O)C(=O)O
inchi:
InChI=1S/C17H25N5O13/c18-6(8(25)5(24)3-34-16(19)32)13(29)20-7(15(30)31)11-9(26)10(27)14(35-11)22-1-4(2-23)12(28)21-17(22)33/h1,5-11,14,23-27H,2-3,18H2,(H2,19,32)(H,20,29)(H,30,31)(H,21,28,33)/t5-,6-,7-,8+,9+,10+,11+,14+/m0/s1


name: Fenoprop-butotyl
cas: 19398-13-1
chemspiderid: 78363
dtxsid: DTXSID4040349
formula: C15H19Cl3O4
inchikey: HKEDNNONOKONNF-UHFFFAOYNA-N
norman_susdat_id: NS00026319
pubchem_cid: NA
smiles: CCCCOCCOC(=O)C(C)Oc1cc(Cl)c(Cl)cc1Cl
inchi:
InChI=1S/C15H19Cl3O4/c1-3-4-5-20-6-7-21-15(19)10(2)22-14-9-12(17)11(16)8-13(14)18/h8-10H,3-7H2,1-2H3/t10-/m0/s1


name: N-(N-L-leucylglycyl)-L-leucine
cas: 19408-48-1
chebiid: CHEBI:159208
dtxsid: DTXSID90941115
formula: C14H27N3O4
inchikey: HYIFFZAQXPUEAU-QWRGUYRKSA-N
norman_susdat_id: NS00052805
pubchem_cid: NA
smiles: O=C(O)C(NC(=O)CNC(=O)C(N)CC(C)C)CC(C)C
inchi:
InChI=1/C14H27N3O4/c1-8(2)5-10(15)13(19)16-7-12(18)17-11(14(20)21)6-9(3)4/h8-11H,5-7,15H2,1-4H3,(H,16,19)(H,17,18)(H,20,21)


name: Dihydrocapsaicin
cas: 19408-84-5
chebiid: CHEBI:46932
chemspiderid: 97096
dtxsid: DTXSID4041864
formula: C18H29N1O3
inchikey: XJQPQKLURWNAAH-UHFFFAOYSA-N
norman_susdat_id: NS00015067
pubchem_cid: 107982
smiles: CC(C)CCCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
inchi:
InChI=1S/C18H29NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h10-12,14,20H,4-9,13H2,1-3H3,(H,19,21)


name: Pumosetrag
cas: 194093-42-0
dtxsid: DTXSID70165211
formula: C15H17N3O2S
inchikey: AFUWQWYPPZFWCO-LBPRGKRZSA-N
norman_susdat_id: NS00068160
smiles: O=C(N[C@H]1CN2CCC1CC2)c1c[nH]c2ccsc2c1=O
inchi:
InChI=1S/C15H17N3O2S/c19-13-10(7-16-11-3-6-21-14(11)13)15(20)17-12-8-18-4-1-9(12)2-5-18/h3,6-7,9,12H,1-2,4-5,8H2,(H,16,19)(H,17,20)/t12-/m0/s1


name: 2-(4-tert-Butylphenoxy)cyclohexanol
cas: 1942-71-8
chemspiderid: 15225
dtxsid: DTXSID3051834
formula: C16H24O2
inchikey: FTIXUILRMBSXNS-UHFFFAOYNA-N
norman_susdat_id: NS00021805
pubchem_cid: NA
smiles: CC(C)(C)c1ccc(OC2CCCCC2O)cc1
inchi:
InChI=1S/C16H24O2/c1-16(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)17/h8-11,14-15,17H,4-7H2,1-3H3/t14-,15+/m0/s1


name: 16a,17-epoxy-11a-hydroxypregn-4-ene-3,20-dione
cas: 19427-36-2
dtxsid: DTXSID50941156
formula: C21H28O4
inchikey: XPOFTPYDSZJRKX-VOVZHTNUSA-N
norman_susdat_id: NS00052899
pubchem_cid: 13277023
smiles: O=C1C=C2CCC3C4CC5OC5(C(=O)C)C4(C)CC(O)C3C2(C)CC1
inchi:
InChI=1/C21H28O4/c1-11(22)21-17(25-21)9-15-14-5-4-12-8-13(23)6-7-19(12,2)18(14)16(24)10-20(15,21)3/h8,14-18,24H,4-7,9-10H2,1-3H3


name: Benproperine phosphate
cas: 19428-14-9
formula: C21H27NO.H3O4P
inchikey: MCVUURBOSHQXMK-UHFFFAOYSA-N
norman_susdat_id: NS00086819
smiles: OP(O)(=O)O.CC(COc2ccccc2Cc1ccccc1)N3CCCCC3
inchi:
InChI=1/C21H27NO.H3O4P/c1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19;1-5(2,3)4/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3;(H3,1,2,3,4)


name: Di-tert-butyldichlorostannane
cas: 19429-30-2
dtxsid: DTXSID20173048
formula: C8H18Cl2Sn
inchikey: PEGCFRJASNUIPX-UHFFFAOYSA-L
norman_susdat_id: NS00052487
pubchem_cid: NA
smiles: Cl[Sn](Cl)(C(C)(C)C)C(C)(C)C
inchi:
InChI=1/2C4H9.2ClH.Sn/c2*1-4(2)3;;;/h2*1-3H3;2*1H;/q;;;;+2/p-2/rC8H18Cl2Sn/c1-7(2,3)11(9,10)8(4,5)6/h1-6H3


name: 4,4'-bicyclo[2.2.1]hept-2-ylidenebisphenol
cas: 1943-96-0
dtxsid: DTXSID70883781
formula: C19H20O2
inchikey: RBWZNZOIVJUVRB-UHFFFAOYSA-N
norman_susdat_id: NS00045998
pubchem_cid: 102723
smiles: OC1=CC=C(C=C1)C2(C3=CC=C(O)C=C3)CC4CCC2C4
inchi:
InChI=1/C19H20O2/c20-17-7-3-14(4-8-17)19(12-13-1-2-16(19)11-13)15-5-9-18(21)10-6-15/h3-10,13,16,20-21H,1-2,11-12H2


name: 4,4'-Octahydro-1H-4,7-methanoindene-5,5-diyldiphenol
cas: 1943-97-1
chemspiderid: 92789
dtxsid: DTXSID3047893
formula: C22H24O2
inchikey: WWCSTJWKTAXUGJ-UHFFFAOYSA-N
norman_susdat_id: NS00002401
pubchem_cid: 102724
smiles: Oc1ccc(cc1)C1(CC2CC1C1CCCC21)c1ccc(O)cc1
inchi:
InChI=1S/C22H24O2/c23-17-8-4-15(5-9-17)22(16-6-10-18(24)11-7-16)13-14-12-21(22)20-3-1-2-19(14)20/h4-11,14,19-21,23-24H,1-3,12-13H2


name: Acetamide, N-[3-[(2-cyanoethyl)ethylamino]-4-methoxyphenyl]-
cas: 19433-94-4
chemspiderid: 79444
dtxsid: DTXSID6066492
formula: C14H19N3O2
inchikey: GMJYHCWSTTTWRT-UHFFFAOYSA-N
norman_susdat_id: NS00026331
pubchem_cid: 88059
smiles: CCN(CCC#N)c1cc(NC(=O)C)ccc1OC
inchi:
InChI=1S/C14H19N3O2/c1-4-17(9-5-8-15)13-10-12(16-11(2)18)6-7-14(13)19-3/h6-7,10H,4-5,9H2,1-3H3,(H,16,18)


name: Hexyl 3-[(3-pentyloxiranyl)methyl]oxiran-2-octanoate
cas: 19434-79-8
dtxsid: DTXSID40941165
formula: C24H44O4
inchikey: DIRXYQPNUXCLAX-UHFFFAOYSA-N
norman_susdat_id: NS00049030
pubchem_cid: 86875
smiles: O=C(OCCCCCC)CCCCCCCC1OC1CC2OC2CCCCC
inchi:
InChI=1/C24H44O4/c1-3-5-7-14-18-26-24(25)17-13-10-8-9-12-16-21-23(28-21)19-22-20(27-22)15-11-6-4-2/h20-23H,3-19H2,1-2H3


name: 2-[2-(4-Hydroxyphenyl)ethyl]-5-methoxy-4-(pentylamino)-2,3-dihydro-1H-isoindol-1-one
cas: 194358-72-0
dtxsid: DTXSID50598386
formula: C22H28N2O3
inchikey: FMUMUYFMLZGXJR-UHFFFAOYSA-N
norman_susdat_id: NS00075350
smiles: CCCCCNC1=C(OC)C=CC2=C1CN(CCC1=CC=C(O)C=C1)C2=O
inchi:
InChI=1S/C22H28N2O3/c1-3-4-5-13-23-21-19-15-24(14-12-16-6-8-17(25)9-7-16)22(26)18(19)10-11-20(21)27-2/h6-11,23,25H,3-5,12-15H2,1-2H3


name: Naphthalene-1,3,6-trisulphonic acid, sodium salt
cas: 19437-42-4
formula: C10H8O9S3.xNa
inchikey: BERQWQSQOIEUMA-UHFFFAOYSA-M
norman_susdat_id: NS00083153
smiles: [Na+].OS(=O)(=O)c1ccc2c(cc(cc2c1)S(=O)(=O)O)S(=O)(=O)[O-]
inchi:
InChI=1/C10H8O9S3.Na/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19;/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);/q;+1/p-1


name: 3,3',3'',3'''-(((3-Hydroxypropyl)imino)bis(ethylenenitrilo))tetrapropanol
cas: 19437-46-8
chemspiderid: 79452
dtxsid: DTXSID90173070
formula: C19H43N3O5
inchikey: VGXGNFMEUOMDAJ-UHFFFAOYSA-N
norman_susdat_id: NS00026336
pubchem_cid: 88067
smiles: OCCCN(CCCO)CCN(CCCO)CCN(CCCO)CCCO
inchi:
InChI=1S/C19H43N3O5/c23-15-1-6-20(7-2-16-24)11-13-22(10-5-19-27)14-12-21(8-3-17-25)9-4-18-26/h23-27H,1-19H2


name: Fenoterol hydrobromide
cas: 1944-12-3
chebiid: CHEBI:31601
dtxsid: DTXSID5045419
formula: C17H22BrNO4
inchikey: SGZRQMALQBXAIQ-UHFFFAOYSA-N
norman_susdat_id: NS00076335
smiles: Br.CC(CC1=CC=C(O)C=C1)NCC(O)C1=CC(O)=CC(O)=C1
inchi:
InChI=1/C17H21NO4.BrH/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;1H


name: Semaxanib
cas: 194413-58-6
chebiid: CHEBI:91083
dtxsid: DTXSID1041132
formula: C15H14N2O
inchikey: WUWDLXZGHZSWQZ-WQLSENKSSA-N
norman_susdat_id: NS00070556
pubchem_cid: 5329098
smiles: Cc1cc(C)c(/C=C2C(=O)Nc3ccccc32)[nH]1
inchi:
InChI=1S/C15H14N2O/c1-9-7-10(2)16-14(9)8-12-11-5-3-4-6-13(11)17-15(12)18/h3-8,16H,1-2H3,(H,17,18)/b12-8-


name: pd 168393
cas: 194423-15-9
chebiid: CHEBI:131504
dtxsid: DTXSID80274444
formula: C17H13BrN4O
inchikey: HTUBKQUPEREOGA-UHFFFAOYSA-N
norman_susdat_id: NS00068483
pubchem_cid: 4708
smiles: C=CC(=O)Nc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
inchi:
InChI=1S/C17H13BrN4O/c1-2-16(23)21-13-6-7-15-14(9-13)17(20-10-19-15)22-12-5-3-4-11(18)8-12/h2-10H,1H2,(H,21,23)(H,19,20,22)


name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-Icosafluoro-11-(trifluoromethyl)dodecan-1-ol
cas: 194427-39-9
dtxsid: DTXSID30896337
formula: C13H5F23O
inchikey: XYNROSMUVBVKIP-UHFFFAOYSA-N
norman_susdat_id: NS00110101
smiles: OCCC(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)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C13H5F23O/c14-3(15,1-2-37)5(17,18)7(21,22)9(25,26)11(29,30)10(27,28)8(23,24)6(19,20)4(16,12(31,32)33)13(34,35)36/h37H,1-2H2


cas: 1945-77-3
formula: C37H44N2O13S.4Na
inchikey: DIZZDZCUMBBRSG-UHFFFAOYSA-J
norman_susdat_id: NS00082059
name:
Tetrasodium N,N'-[3H-2,1-benzoxathiol-3-ylidenebis[[6-hydroxy-5-isopropyl-2-methylphen-3,1-ylene]methylene]]bis[N-(carboxylatomethyl)aminoacetate] S,S-dioxide

inchi:
InChI=1/C37H44N2O13S.4Na/c1-19(2)23-11-28(21(5)25(35(23)48)13-38(15-31(40)41)16-32(42)43)37(27-9-7-8-10-30(27)53(50,51)52-37)29-12-24(20(3)4)36(49)26(22(29)6)14-39(17-33(44)45)18-34(46)47;;;;/h7-12,19-20,48-49H,13-18H2,1-6H3,(H,40,41)(H,42,43)(H,44,45)(H,46,47);;;;/q;4*+1/p-4

smiles:
CC(C)c1cc(c(C)c(CN(CC(=O)O[Na])CC(=O)O[Na])c1O)C2(OS(=O)(=O)c3ccccc23)c4cc(C(C)C)c(O)c(CN(CC(=O)O[Na])CC(=O)O[Na])c4C


name: Galantamine hydrobromide
cas: 19-45-3
formula: C17H21NO3.BrH
inchikey: QORVDGQLPPAFRS-XPSHAMGMSA-N
norman_susdat_id: NS00081782
smiles: Br.COc1ccc2CN(C)CC[C@@]34C=C[C@H](O)C[C@@H]3Oc1c24
inchi:
InChI=1/C17H21NO3.BrH/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17;/h3-6,12,14,19H,7-10H2,1-2H3;1H


cas: 19456-83-8
dtxsid: DTXSID20172970
formula: C30H22O10
inchikey: MXEIKUWMKSYEII-DETITRACSA-N
norman_susdat_id: NS00097138
smiles: C1[C@H](OC2=C(C1=O)C(=CC(=C2[C@@H]3[C@H](OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)C6=CC=C(C=C6)O
name:
(2S,2'S,3R)-5,5',7,7'-Tetrahydroxy-2,2'-bis(4-hydroxyphenyl)-2,2',3,3'-tetrahydro-4H,4'H-3,8'-bichromene-4,4'-dione

inchi:
InChI=1S/C30H22O10/c31-15-5-1-13(2-6-15)22-12-21(37)24-19(35)11-20(36)26(30(24)39-22)27-28(38)25-18(34)9-17(33)10-23(25)40-29(27)14-3-7-16(32)8-4-14/h1-11,22,27,29,31-36H,12H2/t22-,27-,29+/m0/s1


name: 2-Ethoxy-5-(4-methylpiperazine-1-sulfonyl)benzoic acid
cas: 194602-23-8
chebiid: CHEBI:59007
chemspiderid: 10799909
dtxsid: DTXSID10478256
formula: C14H20N2O5S1
inchikey: TXKSEEXWAGLOIY-UHFFFAOYSA-N
norman_susdat_id: NS00005911
pubchem_cid: 29941671
smiles: CCOc1ccc(cc1C(O)=O)S(=O)(=O)N1CCN(C)CC1
inchi:
InChI=1S/C14H20N2O5S/c1-3-21-13-5-4-11(10-12(13)14(17)18)22(19,20)16-8-6-15(2)7-9-16/h4-5,10H,3,6-9H2,1-2H3,(H,17,18)


name: (N-(5-dimethylaminonaphthalene-1-sulphonyl)glycyl)tryptophan
cas: 19461-22-4
dtxsid: DTXSID20941209
formula: C25H26N4O5S
inchikey: IXTSSRFZPQPHIE-UHFFFAOYSA-N
norman_susdat_id: NS00047742
pubchem_cid: 3475779
smiles: O=C(O)C(NC(=O)CNS(=O)(=O)C1=CC=CC=2C1=CC=CC2N(C)C)CC3=CNC=4C=CC=CC43
inchi:
InChI=1/C25H26N4O5S/c1-29(2)22-11-5-9-19-18(22)8-6-12-23(19)35(33,34)27-15-24(30)28-21(25(31)32)13-16-14-26-20-10-4-3-7-17(16)20/h3-12,14,21,26-27H,13,15H2,1-2H3,(H,28,30)(H,31,32)


name: Stigmastane-3-ß-ol
cas: 19466-47-8
formula: C29H52O
inchikey: LGJMUZUPVCAVPU-KZXGMYDKSA-N
norman_susdat_id: NS00083169
smiles: CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)C
inchi:
InChI=1/C29H52O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h19-27,30H,7-18H2,1-6H3


name: (Z)-2-hydroxy-3-[(1-oxo-9-octadecenyl)oxy]propyltrimethylammonium chloride
cas: 19467-38-0
formula: C24H48NO3
inchikey: OYUNFRDRYWKVEV-USGGBSEESA-M
norman_susdat_id: NS00049097
pubchem_cid: 44146418
smiles: [Cl-].O=C(OCC(O)C[N+](C)(C)C)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C24H48NO3.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24(27)28-22-23(26)21-25(2,3)4;/h12-13,23,26H,5-11,14-22H2,1-4H3;1H/q+1;/p-1


cas: 1946796-71-9
dtxsid: DTXSID80895638
formula: C16H6F26
inchikey: FVKWUSQLPAJKRY-OWOJBTEDSA-N
norman_susdat_id: NS00111755
smiles: FC(F)(F)C(F)(F)C(F)(F)C(CC=CCC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
name:
(6E)-1,1,1,2,2,3,3,10,10,11,11,12,12,12-Tetradecafluoro-4,4,9,9-tetrakis(trifluoromethyl)dodec-6-ene

inchi:
InChI=1S/C16H6F26/c17-7(18,9(21,22)15(37,38)39)5(11(25,26)27,12(28,29)30)3-1-2-4-6(13(31,32)33,14(34,35)36)8(19,20)10(23,24)16(40,41)42/h1-2H,3-4H2/b2-1+


name: 6-(((Phenylmethoxy)carbonyl)amino)hexanoic acid
cas: 1947-00-8
chemspiderid: 67330
dtxsid: DTXSID00173107
formula: C14H19N1O4
inchikey: RXQDBVWDABAAHL-UHFFFAOYSA-N
norman_susdat_id: NS00026345
pubchem_cid: 74758
smiles: OC(=O)CCCCCNC(=O)OCc1ccccc1
inchi:
InChI=1S/C14H19NO4/c16-13(17)9-5-2-6-10-15-14(18)19-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,15,18)(H,16,17)


name: 4-nitrobenzenediazonium toluene-4-sulphonate
cas: 1947-33-7
formula: C7H7O3S.C6H4N3O2
inchikey: OZERWKFPYAZZIL-UHFFFAOYSA-M
norman_susdat_id: NS00081762
smiles: Cc1ccc(cc1)S(=O)(=O)[O-].[O-][N+](=O)c2ccc(cc2)[N+]#N
inchi:
InChI=1/C7H8O3S.C6H4N3O2/c1-6-2-4-7(5-3-6)11(8,9)10;7-8-5-1-3-6(4-2-5)9(10)11/h2-5H,1H3,(H,8,9,10);1-4H/q;+1/p-1


name: 1,5-hexadiene, 3,4-diethyl-1,6-diphenyl-, (e,e)-
cas: 19474-73-8
dtxsid: DTXSID30880812
formula: C22H26
inchikey: PYUGQSOLFINKJP-YTEMWHBBSA-N
norman_susdat_id: NS00095842
smiles: CCC(C=Cc1ccccc1)C(CC)C=Cc1ccccc1
inchi:
InChI=1/C22H26/c1-3-21(17-15-19-11-7-5-8-12-19)22(4-2)18-16-20-13-9-6-10-14-20/h5-18,21-22H,3-4H2,1-2H3/b17-15+,18-16+


name: Bedoradrine
cas: 194785-19-8
dtxsid: DTXSID60173123
formula: C24H32N2O5
inchikey: OANCEOSLKSTLTA-REWPJTCUSA-N
norman_susdat_id: NS00068320
pubchem_cid: 9963057
smiles: CN(C)C(=O)COc1ccc2c(c1)C[C@@H](NC[C@H](O)c1ccc(O)c(CCO)c1)CC2
inchi:
InChI=1S/C24H32N2O5/c1-26(2)24(30)15-31-21-7-4-16-3-6-20(12-19(16)13-21)25-14-23(29)17-5-8-22(28)18(11-17)9-10-27/h4-5,7-8,11,13,20,23,25,27-29H,3,6,9-10,12,14-15H2,1-2H3/t20-,23-/m0/s1


name: MCPA-butotyl
cas: 19480-43-4
chemspiderid: 56480
dtxsid: DTXSID0042111
formula: C15H21Cl1O4
inchikey: WKGKFWXGAHXMCE-UHFFFAOYSA-N
norman_susdat_id: NS00004415
pubchem_cid: 62736
smiles: CCCCOCCOC(=O)COc1ccc(Cl)cc1C
inchi:
InChI=1S/C15H21ClO4/c1-3-4-7-18-8-9-19-15(17)11-20-14-6-5-13(16)10-12(14)2/h5-6,10H,3-4,7-9,11H2,1-2H3


name: Garenoxacin
cas: 194804-75-6
chebiid: CHEBI:131716
dtxsid: DTXSID30173135
formula: C23H20F2N2O4
inchikey: NJDRXTDGYFKORP-LLVKDONJSA-N
norman_susdat_id: NS00069130
pubchem_cid: 124093
smiles: C[C@H]1NCc2cc(-c3ccc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC(F)F)ccc21
inchi:
InChI=1S/C23H20F2N2O4/c1-11-15-5-2-12(8-13(15)9-26-11)16-6-7-17-19(21(16)31-23(24)25)27(14-3-4-14)10-18(20(17)28)22(29)30/h2,5-8,10-11,14,23,26H,3-4,9H2,1H3,(H,29,30)/t11-/m1/s1


name: Ethyl 7-bromo-1-cyclopropyl-8-(difluoromethoxy)-4-oxo-1,4-dihydroquinoline-3-carboxylate
cas: 194805-07-7
chemspiderid: 9906867
dtxsid: DTXSID50471266
formula: C16H14Br1F2N1O4
inchikey: ZVUUANRFLJIZGV-UHFFFAOYSA-N
norman_susdat_id: NS00006555
pubchem_cid: 11732152
smiles: CCOC(=O)c1cn(C2CC2)c2c(OC(F)F)c(Br)ccc2c1=O
inchi:
InChI=1S/C16H14BrF2NO4/c1-2-23-15(22)10-7-20(8-3-4-8)12-9(13(10)21)5-6-11(17)14(12)24-16(18)19/h5-8,16H,2-4H2,1H3


name: 1-ethyl-4-[2-(phenylamino)vinyl]quinolinium iodide
cas: 19487-71-9
dtxsid: DTXSID30941250
formula: C19H19N2
inchikey: OJPXVCNNSLIXDJ-UHFFFAOYSA-N
norman_susdat_id: NS00048527
pubchem_cid: NA
smiles: [I-].C=1C=CC(=CC1)NC=CC2=CC=[N+](C=3C=CC=CC23)CC
inchi:
InChI=1/C19H18N2.HI/c1-2-21-15-13-16(18-10-6-7-11-19(18)21)12-14-20-17-8-4-3-5-9-17;/h3-15H,2H2,1H3;1H


name: Oxolamine dihydrogen phosphate
cas: 1949-19-5
formula: C14H19N3O.xH3O4P
inchikey: PSCWWFOVTFSDGZ-UHFFFAOYSA-N
norman_susdat_id: NS00082060
smiles: CCN(CC)CCc1onc(n1)c2ccccc2.OP(=O)(O)O
inchi:
InChI=1/C14H19N3O.H3O4P/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12;1-5(2,3)4/h5-9H,3-4,10-11H2,1-2H3;(H3,1,2,3,4)


name: Oxolamine dihydrogen citrate
cas: 1949-20-8
formula: C14H19N3O.xC6H8O7
inchikey: RBZIGQJSMCOHSS-UHFFFAOYSA-N
norman_susdat_id: NS00081763
smiles: CCN(CC)CCc1onc(n1)c2ccccc2.OC(=O)CC(O)(CC(=O)O)C(=O)O
inchi:
InChI=1/C14H19N3O.C6H8O7/c1-3-17(4-2)11-10-13-15-14(16-18-13)12-8-6-5-7-9-12;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-9H,3-4,10-11H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)


name: Metrizoic acid
cas: 1949-45-7
chebiid: CHEBI:34847
chemspiderid: 2433
dtxsid: DTXSID6023311
formula: C12H11I3N2O4
inchikey: GGGDNPWHMNJRFN-UHFFFAOYSA-N
norman_susdat_id: NS00026356
pubchem_cid: 2528
smiles: CN(C(=O)C)c1c(I)c(NC(=O)C)c(I)c(C(=O)O)c1I
inchi:
InChI=1S/C12H11I3N2O4/c1-4(18)16-10-7(13)6(12(20)21)8(14)11(9(10)15)17(3)5(2)19/h1-3H3,(H,16,18)(H,20,21)


name: Benzyldiethyl(2-hydroxyethyl)ammonium chloride
cas: 19493-25-5
dtxsid: DTXSID50884892
formula: C13H22NO
inchikey: MTIWHYTVKBFFOH-UHFFFAOYSA-M
norman_susdat_id: NS00047764
pubchem_cid: 88091
smiles: [Cl-].OCC[N+](CC=1C=CC=CC1)(CC)CC
inchi:
InChI=1/C13H22NO.ClH/c1-3-14(4-2,10-11-15)12-13-8-6-5-7-9-13;/h5-9,15H,3-4,10-12H2,1-2H3;1H/q+1;/p-1


name: Acetochlor OA
cas: 194992-44-4
chebiid: CHEBI:83451
chemspiderid: 21170690
dtxsid: DTXSID1037484
formula: C14H19N1O4
inchikey: OTKTUNJJKYTOFF-UHFFFAOYSA-N
norman_susdat_id: NS00009462
pubchem_cid: 15842091
smiles: CCOCN(C(=O)C(O)=O)c1c(C)cccc1CC
eea_notation: CAS_194992-44-4
inchi:
InChI=1S/C14H19NO4/c1-4-11-8-6-7-10(3)12(11)15(9-19-5-2)13(16)14(17)18/h6-8H,4-5,9H2,1-3H3,(H,17,18)


name: Sodium 5-benzyl-6-thioxodihydro-2H-1,3,5-thiadiazine-3(4H)-acetate
cas: 1950-15-8
dtxsid: DTXSID60941263
formula: C12H14N2O2S2
inchikey: YEOVSRMZSRGQNK-UHFFFAOYSA-M
norman_susdat_id: NS00045999
pubchem_cid: 71462
smiles: [Na+].O=C([O-])CN1CSC(=S)N(CC=2C=CC=CC2)C1
inchi:
InChI=1/C12H14N2O2S2.Na/c15-11(16)7-13-8-14(12(17)18-9-13)6-10-4-2-1-3-5-10;/h1-5H,6-9H2,(H,15,16);/q;+1/p-1


cas: 1950-39-6
formula: C25H48N6O8.ClH
inchikey: KCRQZLMAZHZDCL-UHFFFAOYSA-N
norman_susdat_id: NS00082061
smiles: Cl.CC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCN
name:
N'-[5-[[4-[[5-(acetylhydroxyamino)pentyl]amino]-1,4-dioxobutyl]hydroxyamino]pentyl]-N-(5-aminopentyl)-N-hydroxysuccinamide monohydrochloride

inchi:
InChI=1/C25H48N6O8.ClH/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;/h37-39H,2-20,26H2,1H3,(H,27,33)(H,28,34);1H


name: 9,10-Anthracenedione, 2-acetyl-1,4-diamino-
cas: 19500-94-8
chemspiderid: 79476
dtxsid: DTXSID3066502
formula: C16H12N2O3
inchikey: GUUWHMTVVVFXIF-UHFFFAOYSA-N
norman_susdat_id: NS00026359
pubchem_cid: 88094
smiles: CC(=O)c1c(N)c2c(c(N)c1)C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C16H12N2O3/c1-7(19)10-6-11(17)12-13(14(10)18)16(21)9-5-3-2-4-8(9)15(12)20/h2-6H,17-18H2,1H3


name: 2-[2,2-bis(2-prop-2-enoyloxyethoxymethyl)butoxy]ethyl 3-(dibutylamino)propanoate
cas: 195008-76-5
chemspiderid: NA
formula: C29H51N1O9
inchikey: WWJHAKKEEILBDP-UHFFFAOYSA-N
norman_susdat_id: NS00008775
pubchem_cid: NA
smiles: CCCCN(CCCC)CCC(=O)OCCOCC(CC)(COCCOC(=O)C=C)COCCOC(=O)C=C
inchi:
InChI=1S/C29H51NO9/c1-6-11-14-30(15-12-7-2)16-13-28(33)39-22-19-36-25-29(10-5,23-34-17-20-37-26(31)8-3)24-35-18-21-38-27(32)9-4/h8-9H,3-4,6-7,10-25H2,1-2,5H3


name: Variotin
cas: 19504-77-9
chemspiderid: 4445371
dtxsid: DTXSID5057676
formula: C17H25N1O3
inchikey: ZYPGADGCNXOUJP-YLVBRBDGNA-N
norman_susdat_id: NS00026361
pubchem_cid: NA
smiles: CCCCC(O)/C=C(/C)C=CC=CC(=O)N1CCCC1=O
inchi:
InChI=1S/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3/b8-5+,10-6+,14-13-/t15-/m0/s1


name: Emd-128130
cas: 195068-07-6
dtxsid: DTXSID30939016
formula: C22H21FN2O
inchikey: HKFMQJUJWSFOLY-OAQYLSRUSA-N
norman_susdat_id: NS00068164
pubchem_cid: 6918388
smiles: Fc1ccc(-c2cncc(CNC[C@H]3CCc4ccccc4O3)c2)cc1
inchi:
InChI=1S/C22H21FN2O/c23-20-8-5-17(6-9-20)19-11-16(12-24-14-19)13-25-15-21-10-7-18-3-1-2-4-22(18)26-21/h1-6,8-9,11-12,14,21,25H,7,10,13,15H2/t21-/m1/s1


name: (4Z)-4-[(2-Chlorophenyl)methylidene]-2-[(E)-2-phenylethenyl]-1,3-oxazol-5-one
cas: 19508-17-9
dtxsid: DTXSID30421062
formula: C18H12ClNO2
inchikey: LSHFLRQQOZHBNO-ZBUTWXCBSA-N
norman_susdat_id: NS00096587
smiles: C1=CC=C(C=C1)/C=C/C2=N/C(=CC3=CC=CC=C3Cl)/C(=O)O2
inchi:
InChI=1S/C18H12ClNO2/c19-15-9-5-4-8-14(15)12-16-18(21)22-17(20-16)11-10-13-6-2-1-3-7-13/h1-12H/b11-10+,16-12-


name: Amiodarone
cas: 1951-25-3
chebiid: CHEBI:2663
chemspiderid: 2072
dtxsid: DTXSID7022592
formula: C25H29I2N1O3
inchikey: IYIKLHRQXLHMJQ-UHFFFAOYSA-N
norman_susdat_id: NS00010453
pubchem_cid: 2157
smiles: CCCCc1c(c2ccccc2o1)C(=O)c3cc(c(c(c3)I)OCCN(CC)CC)I
inchi:
InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3


name: L-3373
cas: 1951-26-4
chebiid: CHEBI:79661
chemspiderid: 67340
dtxsid: DTXSID20173164
formula: C19H16I2O3
inchikey: PNFMEGSMKIHDFZ-UHFFFAOYSA-N
norman_susdat_id: NS00026363
pubchem_cid: 74769
smiles: CCCCc1c(C(=O)c2cc(I)c(O)c(I)c2)c2c(o1)cccc2
inchi:
InChI=1S/C19H16I2O3/c1-2-3-7-16-17(12-6-4-5-8-15(12)24-16)18(22)11-9-13(20)19(23)14(21)10-11/h4-6,8-10,23H,2-3,7H2,1H3


name: cyprodinil metabolite CGA 304075
cas: 195157-66-5
chemspiderid: 52084040
formula: C14H15N3O1
inchikey: LBDZGKRFRHHISM-UHFFFAOYSA-N
norman_susdat_id: NS00040782
pubchem_cid: 85745672
smiles: Cc1cc(nc(Nc2ccc(O)cc2)n1)C1CC1
inchi:
InChI=1S/C14H15N3O/c1-9-8-13(10-2-3-10)17-14(15-9)16-11-4-6-12(18)7-5-11/h4-8,10,18H,2-3H2,1H3,(H,15,16,17)


cas: 195158-89-5
dtxsid: DTXSID50882631
norman_susdat_id: NS00110629
name:
Poly[oxy(methyl-1,2-ethanediyl)], α-(2-methyl-1-oxo-2-propenyl)-ω-hydroxy-, polymer with α-fluoro-ω-[2-[(1-oxo-2-propenyl)oxy]ethyl]poly(difluoromethylene) and α-(2-methyl-1-oxo-2-propenyl)-ω-methoxypoly(oxy-1,2-ethanediyl) (9CI)


cas: 19518-94-6
formula: C19H20N2O2.C16H22N4O2
inchikey: HBPXQSCTBJGLRJ-UHFFFAOYSA-N
norman_susdat_id: NS00082697
smiles: CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3.CC(N(C)C)C(=O)NC4=C(C)N(C)N(C4=O)c5ccccc5
name:
N-(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)-2-(dimethylamino)propionamide, compound with 4-butyl-1,2-diphenylpyrazolidine-3,5-dione (1:1)

inchi:
InChI=1/C19H20N2O2.C16H22N4O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16;1-11-14(17-15(21)12(2)18(3)4)16(22)20(19(11)5)13-9-7-6-8-10-13/h4-13,17H,2-3,14H2,1H3;6-10,12H,1-5H3,(H,17,21)


name: crotarbital
cas: 1952-67-6
chemspiderid: 4516954
formula: C10H14N2O3
inchikey: KNMOHCLEINXVBG-HWKANZROSA-N
norman_susdat_id: NS00007964
pubchem_cid: 5364821
smiles: CCC1(CC=CC)C(=O)NC(=O)NC1=O
inchi:
InChI=1S/C10H14N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3,5H,4,6H2,1-2H3,(H2,11,12,13,14,15)/b5-3+


cas: 19526-81-9
dtxsid: DTXSID3066506
formula: C19H18N2O11S3
inchikey: REBDFGDYHZDZKK-UHFFFAOYSA-L
norman_susdat_id: NS00047496
pubchem_cid: 135571106
smiles: [Na+].[Na+].O=S(=O)([O-])OCCS(=O)(=O)C1=CC=C(OC)C(N=NC2=CC=C3C(C=CC=C3S(=O)(=O)[O-])=C2O)=C1
name:
Disodium 5-hydroxy-6-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalenesulphonate

inchi:
InChI=1/C19H18N2O11S3.2Na/c1-31-17-8-5-12(33(23,24)10-9-32-35(28,29)30)11-16(17)21-20-15-7-6-13-14(19(15)22)3-2-4-18(13)34(25,26)27;;/h2-8,11,22H,9-10H2,1H3,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2


name: Sodium 8-ethoxyquinoline-5-sulphonate
cas: 1952-77-2
formula: C11H11NO4S.Na
inchikey: KGBPIIYKHSGTAJ-UHFFFAOYSA-M
norman_susdat_id: NS00080927
smiles: [Na+].CCOc1ccc(c2cccnc12)S(=O)(=O)[O-]
inchi:
InChI=1/C11H11NO4S.Na/c1-2-16-9-5-6-10(17(13,14)15)8-4-3-7-12-11(8)9;/h3-7H,2H2,1H3,(H,13,14,15);/q;+1/p-1


name: Lead palmitate
cas: 19528-55-3
formula: C16H32O2.xPb
inchikey: CTTASJIVHHYQOM-UHFFFAOYSA-N
norman_susdat_id: NS00082702
smiles: [Pb].OC(=O)CCCCCCCCCCCCCCC
inchi:
InChI=1/C16H32O2.Pb.2H/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;+4;;/rC16H32O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);1H2/q;+4


name: Sodium hydrogen 2-aminonaphthalene-1,5-disulphonate
cas: 19532-03-7
formula: C10H9NO6S2.Na
inchikey: NBXIPKKZZYZDKR-UHFFFAOYSA-L
norman_susdat_id: NS00082200
smiles: [Na+].Nc1ccc2c(cccc2c1S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H9NO6S2.Na/c11-8-5-4-6-7(10(8)19(15,16)17)2-1-3-9(6)18(12,13)14;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);/q;+1/p-2


name: 1-Bromo-4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)benzene
cas: 195324-87-9
dtxsid: DTXSID60895651
formula: C14H8BrF13
inchikey: INTYDOLPAWEEIL-UHFFFAOYSA-N
norman_susdat_id: NS00111064
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCc1ccc(Br)cc1
inchi:
InChI=1S/C14H8BrF13/c15-8-3-1-7(2-4-8)5-6-9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)28/h1-4H,5-6H2


name: 1-Bromo-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,10,10,10-heptadecafluorodecyl)benzene
cas: 195324-88-0
dtxsid: DTXSID90697584
formula: C16H8BrF17
inchikey: WFVQHMKBXVRLTH-UHFFFAOYSA-N
norman_susdat_id: NS00111946
smiles: FC(F)(F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=CC=C(Br)C=C1
inchi:
InChI=1S/C16H8BrF17/c17-8-3-1-7(2-4-8)11(23,24)13(27,28)15(31,32)16(33,34)14(29,30)12(25,26)9(18,19)5-6-10(20,21)22/h1-4H,5-6H2


name: Wortmannin
cas: 19545-26-7
chebiid: CHEBI:91531
chemspiderid: 2274034
dtxsid: DTXSID8040642
formula: C23H24O8
inchikey: QDLHCMPXEPAAMD-ZGSWIPFCSA-N
norman_susdat_id: NS00005310
pubchem_cid: 3003565
smiles: COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O)C3=O
inchi:
InChI=1S/C23H24O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-13,15H,5-7,9H2,1-4H3/t12?,13-,15-,22+,23+/m1/s1


cas: 19547-30-9
dtxsid: DTXSID30896397
formula: C13F18O
inchikey: ZNTJHWJPYWYUEW-UHFFFAOYSA-N
norman_susdat_id: NS00110107
smiles: Fc1c(F)c(c(F)c(F)c1C(=O)C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
name:
2,3,3,3-Tetrafluoro-1-[2,3,5,6-tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-2-(trifluoromethyl)propan-1-one

inchi:
InChI=1S/C13F18O/c14-3-1(7(32)9(19,12(26,27)28)13(29,30)31)4(15)6(17)2(5(3)16)8(18,10(20,21)22)11(23,24)25


name: Octadeca-9,12,15-trienoic acid
cas: 1955-33-5
chebiid: CHEBI:92583
formula: C18H30O2
inchikey: DTOSIQBPPRVQHS-UHFFFAOYSA-N
norman_susdat_id: NS00082101
smiles: OC(=O)CCCCCCCC=CCC=CCC=CCC
inchi:
InChI=1/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)


name: 4-nitrophenyl laurate
cas: 1956-11-2
dtxsid: DTXSID10173234
formula: C18H28NO4
inchikey: YNGNVZFHHJEZKD-UHFFFAOYSA-N
norman_susdat_id: NS00046026
pubchem_cid: 74778
smiles: O=C(OC1=CC=C(C=C1)[N+](=O)[O-])CCCCCCCCCCC
inchi:
InChI=1/C18H27NO4/c1-2-3-4-5-6-7-8-9-10-11-18(20)23-17-14-12-16(13-15-17)19(21)22/h12-15H,2-11H2,1H3


name: 5-benzyloxytryptophan
cas: 1956-25-8
formula: C18H18N2O3
inchikey: DFGNDJBYANKHIO-UHFFFAOYSA-N
norman_susdat_id: NS00081791
smiles: NC(Cc1c[nH]c2ccc(OCc3ccccc3)cc12)C(=O)O
inchi:
InChI=1/C18H18N2O3/c19-16(18(21)22)8-13-10-20-17-7-6-14(9-15(13)17)23-11-12-4-2-1-3-5-12/h1-7,9-10,16,20H,8,11,19H2,(H,21,22)


name: 2'-deoxy-5-iodouridine 3',5'-diacetate
cas: 1956-30-5
dtxsid: DTXSID10941339
formula: C13H15IN2O7
inchikey: LVDYIZDWXVFTQG-HBNTYKKESA-N
norman_susdat_id: NS00046621
pubchem_cid: 2724347
smiles: O=C(OCC1OC(N2C=C(I)C(=O)NC2=O)CC1OC(=O)C)C
inchi:
InChI=1/C13H15IN2O7/c1-6(17)21-5-10-9(22-7(2)18)3-11(23-10)16-4-8(14)12(19)15-13(16)20/h4,9-11H,3,5H2,1-2H3,(H,15,19,20)


name: Piromidic acid
cas: 19562-30-2
chebiid: CHEBI:32019
chemspiderid: 4689
dtxsid: DTXSID4045424
formula: C14H16N4O3
inchikey: RCIMBBZXSXFZBV-UHFFFAOYSA-N
norman_susdat_id: NS00009244
pubchem_cid: 4855
smiles: CCn1cc(C(O)=O)c(=O)c2cnc(nc12)N1CCCC1
inchi:
InChI=1S/C14H16N4O3/c1-2-17-8-10(13(20)21)11(19)9-7-15-14(16-12(9)17)18-5-3-4-6-18/h7-8H,2-6H2,1H3,(H,20,21)


name: Byakangelicin
cas: 19573-01-4
chebiid: CHEBI:168880
chemspiderid: 535438
dtxsid: DTXSID00346879
formula: C17H18O7
inchikey: PKRPFNXROFUNDE-UHFFFAOYSA-N
norman_susdat_id: NS00067881
pubchem_cid: 616063
inchi:
InChI=1S/C17H18O7/c1-17(2,20)11(18)8-23-16-14-10(6-7-22-14)13(21-3)9-4-5-12(19)24-15(9)16/h4-7,11,18,20H,8H2,1-3H3


name: Spiropachysine
cas: 19587-41-8
chemspiderid: 209254
formula: C31H46N2O
inchikey: SLGWGPQWJRVPAD-PZOAWPBASA-N
norman_susdat_id: NS00094291
pubchem_cid: 181300
smiles:
C[C@@H]([C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@@]5(C4)C6=CC=CC=C6C(=O)N5C)C)C)N(C)C


name: NS-2359
cas: 195875-68-4
dtxsid: DTXSID70173250
formula: C16H21Cl2NO
inchikey: PGYDXVBZYKQYCS-VPWBDBDCSA-N
norman_susdat_id: NS00069657
pubchem_cid: 68470595
smiles: COC[C@@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1N2C
inchi:
InChI=1S/C16H21Cl2NO/c1-19-11-4-6-16(19)13(9-20-2)12(8-11)10-3-5-14(17)15(18)7-10/h3,5,7,11-13,16H,4,6,8-9H2,1-2H3/t11-,12+,13+,16+/m0/s1


name: Tesofensine
cas: 195875-84-4
dtxsid: DTXSID70905114
formula: C17H23Cl2NO
inchikey: VCVWXKKWDOJNIT-ZOMKSWQUSA-N
norman_susdat_id: NS00069658
pubchem_cid: 11370864
smiles: CCOC[C@@H]1[C@@H](c2ccc(Cl)c(Cl)c2)C[C@@H]2CC[C@H]1N2C
inchi:
InChI=1S/C17H23Cl2NO/c1-3-21-10-14-13(9-12-5-7-17(14)20(12)2)11-4-6-15(18)16(19)8-11/h4,6,8,12-14,17H,3,5,7,9-10H2,1-2H3/t12-,13+,14+,17+/m0/s1


name: 3,20-bis(ethylenedioxy)pregna-5,7-diene
cas: 19592-55-3
chemspiderid: 80484
formula: C25H36O4
inchikey: CFZNXPSHLNMZGD-UHFFFAOYSA-N
norman_susdat_id: NS00009573
pubchem_cid: 89188
smiles: CC12CCC3C(=CC=C4CC5(CCC34C)OCCO5)C1CCC2C1(C)OCCO1
inchi:
InChI=1S/C25H36O4/c1-22-10-11-25(28-14-15-29-25)16-17(22)4-5-18-19-6-7-21(24(3)26-12-13-27-24)23(19,2)9-8-20(18)22/h4-5,19-21H,6-16H2,1-3H3


name: BMS 214662
cas: 195981-08-9
chebiid: CHEBI:167655
dtxsid: DTXSID20173260
formula: C25H23N5O2S2
inchikey: OLCWFLWEHWLBTO-HSZRJFAPSA-N
norman_susdat_id: NS00069582
pubchem_cid: 448545
smiles: N#Cc1ccc2c(c1)CN(S(=O)(=O)c1cccs1)[C@H](Cc1ccccc1)CN2Cc1cnc[nH]1
inchi:
InChI=1S/C25H23N5O2S2/c26-13-20-8-9-24-21(11-20)15-30(34(31,32)25-7-4-10-33-25)23(12-19-5-2-1-3-6-19)17-29(24)16-22-14-27-18-28-22/h1-11,14,18,23H,12,15-17H2,(H,27,28)/t23-/m1/s1


name: Dibenzo(c,mno)chrysene
cas: 196-28-1
chemspiderid: 60778
dtxsid: DTXSID80173261
formula: C24H14
inchikey: ANKRFBWKEPAECS-UHFFFAOYSA-N
norman_susdat_id: NS00026390
pubchem_cid: 67453
smiles: c1cc2c(cc1)c1c3ccc4cccc5ccc(cc1cc2)c3c45
inchi:
InChI=1S/C24H14/c1-2-7-20-15(4-1)8-10-18-14-19-11-9-16-5-3-6-17-12-13-21(23(18)20)24(19)22(16)17/h1-14H


name: Taxusin
cas: 19605-80-2
chebiid: CHEBI:63664
chemspiderid: 167825
formula: C28H40O8
inchikey: SKJSIVQEPKBFTJ-HUWILPJBSA-N
norman_susdat_id: NS00093871
pubchem_cid: 146810
smiles:
CC1=C2[C@H]([C@@H]([C@@]3(CC[C@@H](C(=C)[C@H]3C[C@@H](C2(C)C)C[C@@H]1OC(=O)C)OC(=O)C)C)OC(=O)C)OC(=O)C


name: 17 alpha-propionate
cas: 19608-29-8
dtxsid: DTXSID10471883
formula: C24H34O5
inchikey: GPNHMOZDMYNCPO-PDUMRIMRSA-N
norman_susdat_id: NS00070332
pubchem_cid: 11750009
smiles: CCC(=O)O[C@]1(C(=O)CO)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C
inchi:
InChI=1S/C24H34O5/c1-4-21(28)29-24(20(27)14-25)12-9-19-17-6-5-15-13-16(26)7-10-22(15,2)18(17)8-11-23(19,24)3/h13,17-19,25H,4-12,14H2,1-3H3/t17-,18+,19+,22+,23+,24+/m1/s1


name: Chlormadinone
cas: 1961-77-9
chemspiderid: 15253
dtxsid: DTXSID3022796
formula: C21H27Cl1O3
inchikey: VUHJZBBCZGVNDZ-RVIHVPCJSA-N
norman_susdat_id: NS00006127
pubchem_cid: 16065
smiles: CC(=O)[C@@]1(O)CC[C@H]2C3C=C(Cl)C4=CC(=O)CCC4(C)[C@H]3CCC12C
inchi:
InChI=1S/C21H27ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h10-11,14-16,25H,4-9H2,1-3H3/t14?,15-,16-,19?,20?,21-/m0/s1


name: 2,2'-Dithiobis(4-tert-butylphenol)
cas: 19614-80-3
chemspiderid: 79540
dtxsid: DTXSID90173277
formula: C20H26O2S2
inchikey: RCJCYNBHXJMNSO-UHFFFAOYSA-N
norman_susdat_id: NS00026385
pubchem_cid: 88167
smiles: CC(C)(C)c1cc(SSc2c(O)ccc(c2)C(C)(C)C)c(O)cc1
inchi:
InChI=1S/C20H26O2S2/c1-19(2,3)13-7-9-15(21)17(11-13)23-24-18-12-14(20(4,5)6)8-10-16(18)22/h7-12,21-22H,1-6H3


name: Cloquinate
cas: 1961-69-2
formula: C18H26ClN3.2C9H6INO4S
inchikey: USABWIQJRBGMKQ-UHFFFAOYSA-N
norman_susdat_id: NS00080680
smiles: CCN(CC)CCCC(C)Nc1ccnc2cc(Cl)ccc12.Oc3c(I)cc(c4cccnc34)S(=O)(=O)O.Oc5c(I)cc(c6cccnc56)S(=O)(=O)O
inchi:
InChI=1/C18H26ClN3.2C9H6INO4S/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*10-6-4-7(16(13,14)15)5-2-1-3-11-8(5)9(6)12/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*1-4,12H,(H,13,14,15)


name: 4'-Benzoylbenzanilide
cas: 19617-84-6
chemspiderid: 79541
dtxsid: DTXSID4075168
formula: C20H15N1O2
inchikey: WRYFTNYOWKAAGV-UHFFFAOYSA-N
norman_susdat_id: NS00026386
pubchem_cid: 88168
smiles: O=C(Nc1ccc(cc1)C(=O)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C20H15NO2/c22-19(15-7-3-1-4-8-15)16-11-13-18(14-12-16)21-20(23)17-9-5-2-6-10-17/h1-14H,(H,21,23)


name: CI 40820
cas: 1962-15-8
chemspiderid: 4940966
formula: C30H40O2
inchikey: MREKHRDVEZGVPJ-MBSSZBPUSA-N
norman_susdat_id: NS00013496
pubchem_cid: 6436320
smiles: CC1=C(C=CC(C)=CC=CC(C)=CC=CC=C(C)/C=C/C=C(C)C(O)=O)C(C)(C)CCC1
inchi:
InChI=1S/C30H40O2/c1-23(13-8-9-14-24(2)17-11-18-27(5)29(31)32)15-10-16-25(3)20-21-28-26(4)19-12-22-30(28,6)7/h8-11,13-18,20-21H,12,19,22H2,1-7H3,(H,31,32)/b9-8+,15-10+,17-11+,21-20+,23-13+,24-14-,25-16+,27-18+


name: Homoyessotoxin
cas: 196309-94-1
dtxsid: DTXSID20880088
formula: C56H84O21S2
inchikey: RVOXLHZDVJPIKK-SMEADMTJSA-N
norman_susdat_id: NS00075594
inchi:
InChI=1/C56H84O21S2/c1-10-12-29(2)13-17-52(5,58)51-31(4)21-40-39(72-51)27-47-56(9,75-40)50(57)49-43(71-47)25-42-48(73-49)30(3)14-18-54(7)45(70-42)28-44-55(8,77-54)19-15-32-33(69-44)22-35-34(66-32)23-36-37(67-35)24-41-38(68-36)26-46(76-79(62,63)64)53(6,74-41)16-11-20-65-78(59,60)61/h10,13,17,30,32-51,57-58H,1-2,4,11-12,14-16,18-28H2,3,5-9H3,(H,59,60,61)(H,62,63,64)/b17-13+/t30-,32-,33+,34+,35-,36-,37+,38+,39+,40-,41-,42-,43+,44-,45+,46-,47-,48+,49+,50+,51-,52+,53+,54-,55+,56-/s2

smiles:
[H][C@@]12C[C@H](OS(O)(=O)=O)[C@@](C)(CCCOS(O)(=O)=O)O[C@@]1([H])C[C@@]1([H])O[C@@]3([H])C[C@@]4([H])O[C@@]5([H])C[C@@]6([H])O[C@@]7([H])C[C@@]8([H])O[C@@]9([H])C[C@@]%10([H])O[C@@]([H])(C(=C)C[C@]%10([H])O[C@]9(C)[C@H](O)[C@]8([H])O[C@]7([H])[C@@H](C)CC[C@]6(C)O[C@]5(C)CC[C@]4([H])O[C@]3([H])C[C@]1([H])O2)[C@](C)(O)C=CC(=C)CC=C


cas: 196316-34-4
dtxsid: DTXSID10882874
norman_susdat_id: NS00109274
name:
2-Propenoic acid, 2-methyl-, 2-(dimethylamino)ethyl ester, polymers with .gamma.-.omega.-perfluoro-C10-16-alkyl acrylate and vinylacetate, acetates


name: Hydroxytetraphenylantimony
cas: 19638-16-5
formula: C24H21OSb
inchikey: SROFHTWEIJBMNA-UHFFFAOYSA-M
norman_susdat_id: NS00082731
smiles: O[Sb](c1ccccc1)(c2ccccc2)(c3ccccc3)c4ccccc4
inchi:
InChI=1/4C6H5.H2O.Sb/c4*1-2-4-6-5-3-1;;/h4*1-5H;1H2;/q;;;;;+1/p-1/rC24H21OSb/c25-26(21-13-5-1-6-14-21,22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,25H


name: Zinc diicosanoate
cas: 1964-37-4
formula: C20H40O2.1/2Zn
inchikey: CCTYJGNBCQQCKM-UHFFFAOYSA-L
norman_susdat_id: NS00080723
smiles: [Zn+2].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C20H40O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2*2-19H2,1H3,(H,21,22);/q;;+2/p-2


name: Propanenitrile, 3-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl](2-phenylethyl)amino]-
cas: 19649-68-4
chemspiderid: 79550
dtxsid: DTXSID2066511
formula: C23H20Cl1N5O2
inchikey: VIVXNXDTARWBMT-UHFFFAOYSA-N
norman_susdat_id: NS00020163
pubchem_cid: 88178
smiles: [O-][N+](=O)c1ccc(N=Nc2ccc(cc2)N(CCC#N)CCc2ccccc2)c(Cl)c1
inchi:
InChI=1S/C23H20ClN5O2/c24-22-17-21(29(30)31)11-12-23(22)27-26-19-7-9-20(10-8-19)28(15-4-14-25)16-13-18-5-2-1-3-6-18/h1-3,5-12,17H,4,13,15-16H2/b27-26+


name: 9,10-Anthracenedione, 1,1'-[(6-phenoxy-1,3,5-triazine-2,4-diyl)diimino]bis-
cas: 1965-81-7
chemspiderid: 67353
dtxsid: DTXSID7062087
formula: C37H21N5O5
inchikey: IBVZVLHYMNSMOT-UHFFFAOYSA-N
norman_susdat_id: NS00026395
pubchem_cid: 74783
smiles: O=C1c2cccc(Nc3nc(Oc4ccccc4)nc(Nc4cccc5c4C(=O)c4c(cccc4)C5=O)n3)c2C(=O)c2c1cccc2
inchi:
InChI=1S/C37H21N5O5/c43-31-21-12-4-6-14-23(21)33(45)29-25(31)16-8-18-27(29)38-35-40-36(42-37(41-35)47-20-10-2-1-3-11-20)39-28-19-9-17-26-30(28)34(46)24-15-7-5-13-22(24)32(26)44/h1-19H,(H2,38,39,40,41,42)


name: Benzyldodecyldimethylammonium bromide
cas: 1965-46-3
chebiid: CHEBI:167207
formula: C21H38N.Br
inchikey: KHSLHYAUZSPBIU-UHFFFAOYSA-M
norman_susdat_id: NS00080681
smiles: [Br-].CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
inchi:
InChI=1/C21H38N.BrH/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: 3,8-Diaminonaphthalene-1,5-disulphonic acid
cas: 19659-81-5
chemspiderid: 79558
dtxsid: DTXSID80173327
formula: C10H10N2O6S2
inchikey: IQCQWQDFHQPFIT-UHFFFAOYSA-N
norman_susdat_id: NS00026397
pubchem_cid: 88188
smiles: Nc1cc(c2c(N)ccc(c2c1)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C10H10N2O6S2/c11-5-3-6-8(19(13,14)15)2-1-7(12)10(6)9(4-5)20(16,17)18/h1-4H,11-12H2,(H,13,14,15)(H,16,17,18)


name: Rozerem
cas: 196597-16-7
chebiid: CHEBI:109549
dtxsid: DTXSID80432305
formula: C16H21NO2
inchikey: YLXDSYKOBKBWJQ-LBPRGKRZSA-N
norman_susdat_id: NS00069667
pubchem_cid: 208902
smiles: CCC(=O)NCC[C@@H]1CCc2ccc3c(c21)CCO3
inchi:
InChI=1S/C16H21NO2/c1-2-15(18)17-9-7-12-4-3-11-5-6-14-13(16(11)12)8-10-19-14/h5-6,12H,2-4,7-10H2,1H3,(H,17,18)/t12-/m0/s1


cas: 19660-77-6
dtxsid: DTXSID70885088
formula: C34H34N4O6
inchikey: UGTRVJHIKNMHLL-UWJYYQICSA-N
norman_susdat_id: NS00047552
pubchem_cid: 71308175
smiles: O=C(O)C=1C=2N=C(C=C3N=C(C=C4N=C(C=C5N=C(C2CC(=O)O)C(CCC(=O)O)C5C)C(=C4C=C)C)C(=C3CC)C)C1C
name:
(2S-trans)-18-carboxy-20-(carboxymethyl)-13-ethyl-2,3-dihydro-3,7,12,17-tetramethyl-8-vinyl-21H,23H-porphine-2-propionic acid

inchi:
InChI=1/C34H34N4O6/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23/h7,12-14,17,21H,1,8-11H2,2-6H3,(H,39,40)(H,41,42)(H,43,44)


name: Falnidamol
cas: 196612-93-8
chebiid: CHEBI:93243
dtxsid: DTXSID0048399
formula: C18H19ClFN7
inchikey: FTFRZXFNZVCRSK-UHFFFAOYSA-N
norman_susdat_id: NS00068506
pubchem_cid: 6918508
smiles: CN1CCC(Nc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1
inchi:
InChI=1S/C18H19ClFN7/c1-27-6-4-11(5-7-27)25-18-21-9-15-16(26-18)17(23-10-22-15)24-12-2-3-14(20)13(19)8-12/h2-3,8-11H,4-7H2,1H3,(H,21,25,26)(H,22,23,24)


name: Oseltamivir
cas: 196618-13-0
chebiid: CHEBI:7798
chemspiderid: 4442
dtxsid: DTXSID9044291
formula: C16H28N2O4
inchikey: VSZGPKBBMSAYNT-RRFJBIMHSA-N
norman_susdat_id: NS00000301
pubchem_cid: 65028
smiles: CCC(CC)OC1C=C(CC(C1NC(=O)C)N)C(=O)OCC
inchi:
InChI=1S/C16H28N2O4/c1-5-12(6-2)22-14-9-11(16(20)21-7-3)8-13(17)15(14)18-10(4)19/h9,12-15H,5-8,17H2,1-4H3,(H,18,19)/t13-,14+,15+/m0/s1


name: Tridecyl salicylate
cas: 19666-16-1
chemspiderid: 79561
dtxsid: DTXSID90173333
formula: C20H32O3
inchikey: VLMWBWYAHNRUGC-UHFFFAOYSA-N
norman_susdat_id: NS00014166
pubchem_cid: 88191
smiles: CCCCCCCCCCCCCOC(=O)c1ccccc1O
inchi:
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-14-17-23-20(22)18-15-12-13-16-19(18)21/h12-13,15-16,21H,2-11,14,17H2,1H3


name: 2-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-1,2,4-triazolo[4,3-a]pyridin-3(2H)-one hydrochloride
cas: 19666-36-5
chebiid: CHEBI:9655
formula: C19H22ClN5O.xClH
inchikey: OHHDIOKRWWOXMT-UHFFFAOYSA-N
norman_susdat_id: NS00083051
smiles: Cl.Clc1cccc(c1)N2CCN(CCCN3N=C4C=CC=CN4C3=O)CC2
inchi:
InChI=1/C19H22ClN5O.ClH/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25;/h1-3,5-7,9,15H,4,8,10-14H2;1H


name: 3,3-dimethoxy-19-nor-17-a-pregn-5(10)-en-20-yn-17-ß-ol
cas: 19669-65-9
dtxsid: DTXSID30941432
formula: C22H32O3
inchikey: MSUVOSKVTATSHE-UHFFFAOYSA-N
norman_susdat_id: NS00046833
pubchem_cid: 89195
smiles: C#CC1(O)CCC2C3CCC4=C(CCC(OC)(OC)C4)C3CCC21C
inchi:
InChI=1/C22H32O3/c1-5-21(23)12-10-19-18-7-6-15-14-22(24-3,25-4)13-9-16(15)17(18)8-11-20(19,21)2/h1,17-19,23H,6-14H2,2-4H3


name: Disodium 4,4'-azobisbenzoate
cas: 19672-24-3
formula: C14H10N2O4.2Na
inchikey: AOUWWAFLSCTHIF-UHFFFAOYSA-L
norman_susdat_id: NS00082738
smiles: [Na+].[Na+].[O-]C(=O)c2ccc(N=Nc1ccc(cc1)C([O-])=O)cc2
inchi:
InChI=1/C14H10N2O4.2Na/c17-13(18)9-1-5-11(6-2-9)15-16-12-7-3-10(4-8-12)14(19)20;;/h1-8H,(H,17,18)(H,19,20);;/q;2*+1/p-2


name: 7-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-3-phenyl-2-benzopyrone
cas: 19683-09-1
dtxsid: DTXSID7066514
formula: C24H17N3O2
inchikey: CLBWALOVEYKEEL-UHFFFAOYSA-N
norman_susdat_id: NS00047563
pubchem_cid: 88194
smiles: O=C1OC=2C=C(C=CC2C=C1C=3C=CC=CC3)N4N=C(C=5C=CC=CC5)C(=N4)C
inchi:
InChI=1/C24H17N3O2/c1-16-23(18-10-6-3-7-11-18)26-27(25-16)20-13-12-19-14-21(17-8-4-2-5-9-17)24(28)29-22(19)15-20/h2-15H,1H3


name: (S)-10-Hydroxycamptothecin
cas: 19685-09-7
chebiid: CHEBI:81395
chemspiderid: 87754
formula: C20H16N2O5
inchikey: HAWSQZCWOQZXHI-FQEVSTJZSA-N
norman_susdat_id: NS00018317
pubchem_cid: 97226
smiles: CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)O)O
inchi:
InChI=1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1


cas: 19694-06-5
formula: C19H18N2O14S4
inchikey: RHFVYRXTYMIXOQ-UHFFFAOYSA-N
norman_susdat_id: NS00047616
pubchem_cid: 88199
smiles: O=S(=O)(O)OCCS(=O)(=O)C1=CC=C(OC)C(N=NC2=C(O)C3=CC=C(C=C3C=C2S(=O)(=O)O)S(=O)(=O)O)=C1
name:
4-hydroxy-3-[[2-methoxy-5-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C19H18N2O14S4/c1-34-16-5-3-12(36(23,24)7-6-35-39(31,32)33)10-15(16)20-21-18-17(38(28,29)30)9-11-8-13(37(25,26)27)2-4-14(11)19(18)22/h2-5,8-10,22H,6-7H2,1H3,(H,25,26,27)(H,28,29,30)(H,31,32,33)


name: Saniculoside N
cas: 196955-52-9
chemspiderid: 44559456
formula: C55H88O22
inchikey: VARHIPCGZLKSDN-KZNSZKGMSA-N
norman_susdat_id: NS00093692
pubchem_cid: 23326983
smiles:
CCCOC(=O)[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O[C@H]2CC[C@]3([C@H](C2(C)C)CC[C@@]4([C@@H]3CC=C5[C@]4([C@H]([C@H]([C@@]6([C@@H]5CC([C@H]([C@@H]6O)OC(=O)/C(=C/C)/C)(C)C)CO)O)O)C)C)C)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@H]8[C@@H]([C@H]([C@@H](CO8)O)O)O)O)O)O


name: Rubicene
cas: 197-61-5
chebiid: CHEBI:33095
chemspiderid: 60779
dtxsid: DTXSID00173364
formula: C26H14
inchikey: FMKFBRKHHLWKDB-UHFFFAOYSA-N
norman_susdat_id: NS00026423
pubchem_cid: 67454
smiles: C1=CC=C2C(=C1)C1=CC=CC3=C4C5=CC=CC=C5C5=C4C(=CC=C5)C2=C13
inchi:
InChI=1S/C26H14/c1-3-9-17-15(7-1)19-11-5-13-22-24-18-10-4-2-8-16(18)20-12-6-14-21(26(20)24)23(17)25(19)22/h1-14H


name: Dibutylbis[(1-oxohexyl)oxy]stannane
cas: 19704-60-0
dtxsid: DTXSID70173371
formula: C20H40O4Sn
inchikey: RTSDIJDRLOTGRD-UHFFFAOYSA-L
norman_susdat_id: NS00047630
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)CCCCC)(CCCC)CCCC)CCCCC
inchi:
InChI=1/2C6H12O2.2C4H9.Sn/c2*1-2-3-4-5-6(7)8;2*1-3-4-2;/h2*2-5H2,1H3,(H,7,8);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC20H40O4Sn/c1-5-9-13-15-19(21)23-25(17-11-7-3,18-12-8-4)24-20(22)16-14-10-6-2/h5-18H2,1-4H3


name: Calcium dilinoleate
cas: 19704-83-7
chebiid: CHEBI:31343
formula: C18H32O2.1/2Ca
inchikey: ROZZMLUWBPPEMU-GRVYQHKQSA-L
norman_susdat_id: NS00082761
smiles: [Ca+2].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H32O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;+2/p-2


name: Hexadecyl (Z,Z)-6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexacosa-2,9-dienoate
cas: 19706-58-2
formula: C46H84O8Sn
inchikey: UKELJEMQMAFEDP-IFBLKORHSA-L
norman_susdat_id: NS00046893
pubchem_cid: 53436615
smiles: O=C(OCCCCCCCCCCCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCCCCCCCCCC)(CCCC)CCCC
inchi:
InChI=1/C20H36O4.C18H32O4.2C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-24-20(23)17-16-19(21)22;1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20;2*1-3-4-2;/h16-17H,2-15,18H2,1H3,(H,21,22);14-15H,2-13,16H2,1H3,(H,19,20);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC46H84O8Sn/c1-5-9-13-15-17-19-21-23-24-26-28-30-32-34-40-52-44(48)36-38-46(50)54-55(41-11-7-3,42-12-8-4)53-45(49)37-35-43(47)51-39-33-31-29-27-25-22-20-18-16-14-10-6-2/h35-38H,5-34,39-42H2,1-4H3


name: Dicalcium ethylenediaminetetraacetate
cas: 19709-85-4
formula: C10H12CaN2O8.Ca
inchikey: ACYGYJFTZSAZKR-UHFFFAOYSA-J
norman_susdat_id: NS00082288
smiles: [Ca+2].[Ca+2].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]
inchi:
InChI=1/C10H16N2O8.2Ca/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;/q;2*+2/p-4


name: (1,5-dimethylhexyl)amine (1S)-2-oxobornane-10-sulphonate
cas: 1971-57-9
formula: C10H16O4S.C8H19N
inchikey: IJUZWPVVLRFXDI-DLGLCQKISA-N
norman_susdat_id: NS00081793
smiles: CC(C)CCCC(C)N.CC1(C)C2CC[C@@]1(CS(=O)(=O)O)C(=O)C2
inchi:
InChI=1/C10H16O4S.C8H19N/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;1-7(2)5-4-6-8(3)9/h7H,3-6H2,1-2H3,(H,12,13,14);7-8H,4-6,9H2,1-3H3


name: Tetrahydrocannabinol
cas: 1972-08-3
chebiid: CHEBI:66964
chemspiderid: 15266
dtxsid: DTXSID6021327
formula: C21H30O2
inchikey: CYQFCXCEBYINGO-IAGOWNOFSA-N
norman_susdat_id: NS00000050
pubchem_cid: 2978
smiles: [H][C@@]12C=C(C)CC[C@@]1([H])C(C)(C)OC1=CC(CCCCC)=CC(O)=C21
inchi:
InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1


name: 9,10-Anthracenedione, 1,4-bis[(2-methylpropyl)amino]-
cas: 19720-45-7
chemspiderid: 79577
dtxsid: DTXSID1066520
formula: C22H26N2O2
inchikey: AWGCJODNVVGFRV-UHFFFAOYSA-N
norman_susdat_id: NS00020764
pubchem_cid: 88210
smiles: CC(C)CNc1ccc(NCC(C)C)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C22H26N2O2/c1-13(2)11-23-17-9-10-18(24-12-14(3)4)20-19(17)21(25)15-7-5-6-8-16(15)22(20)26/h5-10,13-14,23-24H,11-12H2,1-4H3


name: 1,4,5-Triamino-2,3-dichloro-8-hydroxyanthraquinone
cas: 19721-24-5
chemspiderid: 79579
dtxsid: DTXSID40173388
formula: C14H9Cl2N3O3
inchikey: PRRRMBDHOGEKOZ-UHFFFAOYSA-N
norman_susdat_id: NS00026407
pubchem_cid: 88212
smiles: Nc1ccc(O)c2c1C(=O)c1c(N)c(Cl)c(Cl)c(N)c1C2=O
inchi:
InChI=1S/C14H9Cl2N3O3/c15-9-10(16)12(19)8-7(11(9)18)13(21)5-3(17)1-2-4(20)6(5)14(8)22/h1-2,20H,17-19H2


name: Pikromycin/Amaromycin
cas: 19721-56-3
chebiid: CHEBI:29665
chemspiderid: 4445267
formula: C28H47N1O8
inchikey: UZQBOFAUUTZOQE-VSLWXVDYSA-N
norman_susdat_id: NS00011668
pubchem_cid: 5282037
inchi:
InChI=1S/C28H47NO8/c1-10-22-28(7,34)12-11-21(30)15(2)13-16(3)25(18(5)23(31)19(6)26(33)36-22)37-27-24(32)20(29(8)9)14-17(4)35-27/h11-12,15-20,22,24-25,27,32,34H,10,13-14H2,1-9H3/b12-11+/t15-,16+,17-,18+,19-,20+,22-,24-,25+,27+,28+/m1/s1

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


name: N-((Benzyloxy)carbonyl)-L-threonine
cas: 19728-63-3
chemspiderid: 79584
dtxsid: DTXSID50173394
formula: C12H15N1O5
inchikey: IPJUIRDNBFZGQN-SCZZXKLOSA-N
norman_susdat_id: NS00026411
pubchem_cid: 88217
smiles: C[C@@H](O)[C@H](NC(=O)OCc1ccccc1)C(=O)[O-]
inchi:
InChI=1S/C12H15NO5/c1-8(14)10(11(15)16)13-12(17)18-7-9-5-3-2-4-6-9/h2-6,8,10,14H,7H2,1H3,(H,13,17)(H,15,16)/t8-,10?/m1/s1


name: 1,3,5-Triazine-2,4,6-triamine, N,N',N''-triphenyl-
cas: 1973-05-3
chemspiderid: 15272
dtxsid: DTXSID6062090
formula: C21H18N6
inchikey: GGHBKCSNURXPNB-UHFFFAOYSA-N
norman_susdat_id: NS00026412
pubchem_cid: 16084
smiles: N(c1ccccc1)c1nc(Nc2ccccc2)nc(Nc2ccccc2)n1
inchi:
InChI=1S/C21H18N6/c1-4-10-16(11-5-1)22-19-25-20(23-17-12-6-2-7-13-17)27-21(26-19)24-18-14-8-3-9-15-18/h1-15H,(H3,22,23,24,25,26,27)


name: 2,3-diphenyl-1H-indole-7-carboxylic acid
cas: 197313-74-9
dtxsid: DTXSID30407427
formula: C21H15NO2
inchikey: OLUDUXWVPIEHDA-UHFFFAOYSA-N
norman_susdat_id: NS00068510
pubchem_cid: 5003498
smiles: O=C(O)c1cccc2c(-c3ccccc3)c(-c3ccccc3)[nH]c12
inchi:
InChI=1S/C21H15NO2/c23-21(24)17-13-7-12-16-18(14-8-3-1-4-9-14)19(22-20(16)17)15-10-5-2-6-11-15/h1-13,22H,(H,23,24)


name: Ammonium 2,2,3,3,4,4,5,5,6,7,7,7-dodecafluoro-6-(trifluoromethyl)heptanoate
cas: 19742-57-5
dtxsid: DTXSID90896651
formula: C8H4F15NO2
inchikey: FEPNWJQHVCVVDS-UHFFFAOYSA-N
norman_susdat_id: NS00112193
smiles: [NH4+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C8HF15O2.H3N/c9-2(10,1(24)25)4(12,13)6(16,17)5(14,15)3(11,7(18,19)20)8(21,22)23;/h(H,24,25);1H3


name: 3-[4-[(5-nitrothiazol-2-yl)azo](2-phenylethyl)amino]propiononitrile
cas: 19745-44-9
dtxsid: DTXSID30864899
formula: C20H18N6O2S
inchikey: UCYGCDJAPVVJGP-UHFFFAOYSA-N
norman_susdat_id: NS00048267
pubchem_cid: 88222
smiles: N#CCCN(C1=CC=C(N=NC2=NC=C(S2)N(=O)=O)C=C1)CCC=3C=CC=CC3
inchi:
InChI=1/C20H18N6O2S/c21-12-4-13-25(14-11-16-5-2-1-3-6-16)18-9-7-17(8-10-18)23-24-20-22-15-19(29-20)26(27)28/h1-3,5-10,15H,4,11,13-14H2


name: S-(Acetamidomethyl)-N-(tert-butoxycarbonyl)-L-cysteine
cas: 19746-37-3
chemspiderid: 79590
dtxsid: DTXSID50173430
formula: C11H20N2O5S1
inchikey: HLCTYBOTPCIHTG-QMMMGPOBSA-N
norman_susdat_id: NS00026417
pubchem_cid: 88223
smiles: CC(=O)NCSC[C@H](NC(=O)OC(C)(C)C)C(=O)O
inchi:
InChI=1S/C11H20N2O5S/c1-7(14)12-6-19-5-8(9(15)16)13-10(17)18-11(2,3)4/h8H,5-6H2,1-4H3,(H,12,14)(H,13,17)(H,15,16)/t8-/m0/s1


name: Laniquidar
cas: 197509-46-9
dtxsid: DTXSID10173436
formula: C37H36N4O3
inchikey: TULGGJGJQXESOO-UHFFFAOYSA-N
norman_susdat_id: NS00069611
smiles: COC(=O)c1cnc2n1CCc1ccccc1C2=C1CCN(CCc2ccc(OCc3ccc4ccccc4n3)cc2)CC1
inchi:
InChI=1S/C37H36N4O3/c1-43-37(42)34-24-38-36-35(32-8-4-2-6-27(32)19-23-41(34)36)29-17-21-40(22-18-29)20-16-26-10-14-31(15-11-26)44-25-30-13-12-28-7-3-5-9-33(28)39-30/h2-15,24H,16-23,25H2,1H3


cas: 197566-90-8
inchikey: QIMRWKWJPCCYCA-UHFFFAOYSA-M
norman_susdat_id: NS00078562
smiles: [Sr+].ClC1=CC(=C(C=C1CC)N=NC1=C2C=CC(=CC2=CC=C1O)S(=O)(=O)[O-])S(=O)(=O)O
name:
2-Naphthalenesulfonic acid, 5-[(4-chloro-5-ethyl-2-sulfophenyl)azo]-6-hydroxy-, strontium salt (1:1)


cas: 19764-96-6
dtxsid: DTXSID80885094
formula: C29H33N2
inchikey: JKXWXYURKUEZHV-UHFFFAOYSA-M
norman_susdat_id: NS00046956
pubchem_cid: NA
smiles: [I-].C(C=CC=C1N(C=2C=CC=CC2C1(C)C)C)=CC=CC3=[N+](C=4C=CC=CC4C3(C)C)C
name:
2-[7-(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)hepta-1,3,5-trienyl]-1,3,3-trimethyl-3H-indolium iodide

inchi:
InChI=1/C29H33N2.HI/c1-28(2)22-16-12-14-18-24(22)30(5)26(28)20-10-8-7-9-11-21-27-29(3,4)23-17-13-15-19-25(23)31(27)6;/h7-21H,1-6H3;1H/q+1;/p-1


name: Sodium 2-[[3-(trifluoromethyl)phenyl]amino]benzoate
cas: 1977-00-0
formula: C14H10F3NO2.Na
inchikey: PBUGSBBHKCUSBT-UHFFFAOYSA-M
norman_susdat_id: NS00082145
smiles: [Na+].[O-]C(=O)c1ccccc1Nc2cccc(c2)C(F)(F)F
inchi:
InChI=1/C14H10F3NO2.Na/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20;/h1-8,18H,(H,19,20);/q;+1/p-1


name: 2-Hydroxydesipramine
cas: 1977-15-7
chebiid: CHEBI:125680
chemspiderid: 87785
dtxsid: DTXSID20173467
formula: C18H22N2O1
inchikey: NVJBOLMRGMDGLD-UHFFFAOYSA-N
norman_susdat_id: NS00015674
pubchem_cid: 121249
smiles: CNCCCN1C2=C(CCC3=CC=CC=C31)C=C(C=C2)O
inchi:
InChI=1S/C18H22N2O/c1-19-11-4-12-20-17-6-3-2-5-14(17)7-8-15-13-16(21)9-10-18(15)20/h2-3,5-6,9-10,13,19,21H,4,7-8,11-12H2,1H3


name: Bromo-willardiine
cas: 19772-78-2
dtxsid: DTXSID00941545
formula: C7H8BrN3O4
inchikey: AEKIJKSVXKWGRJ-BYPYZUCNSA-N
norman_susdat_id: NS00068959
pubchem_cid: 167842
smiles: N[C@@H](Cn1cc(Br)c(=O)[nH]c1=O)C(=O)O
inchi:
InChI=1S/C7H8BrN3O4/c8-3-1-11(2-4(9)6(13)14)7(15)10-5(3)12/h1,4H,2,9H2,(H,13,14)(H,10,12,15)/t4-/m0/s1


name: Vobtusine
cas: 19772-79-3
chebiid: CHEBI:10016
dtxsid: DTXSID60941546
formula: C43H50N4O6
inchikey: IIMPGJMHQMBXKL-OPDPKHDKSA-N
norman_susdat_id: NS00047685
pubchem_cid: 73534
inchi:
InChI=1/C43H50N4O6/c1-50-30-9-5-7-28-32(30)47-24-38(20-25-21-39-13-18-52-31(39)10-15-45-17-12-42(28,36(39)45)43(25,47)49)23-46-16-11-41-27-6-3-4-8-29(27)44-33(41)26(34(48)51-2)22-40(35(41)46)14-19-53-37(38)40/h3-9,25,31,35-37,44,49H,10-24H2,1-2H3

smiles:
O=C(OC)C1=C2NC=3C=CC=CC3C24CCN5CC6(CN7C=8C(OC)=CC=CC8C9%10CCN%11CCC%12OCCC%12(CC(C6)C79O)C%11%10)C%13OCCC%13(C1)C54


name: 5-Hydroxydrospirenone
cas: 197721-70-3
chemspiderid: 31046556
dtxsid: DTXSID50173470
formula: C24H32O4
inchikey: RQANBDIXNMIXPA-UHFFFAOYSA-N
norman_susdat_id: NS00005976
pubchem_cid: 20824984
smiles: CC12CCC3C(C4CC4C4(O)CC(=O)CCC34C)C1C1CC1C21CCC(=O)O1
inchi:
InChI=1S/C24H32O4/c1-21-6-3-12(25)11-23(21,27)16-9-13(16)19-15(21)4-7-22(2)20(19)14-10-17(14)24(22)8-5-18(26)28-24/h13-17,19-20,27H,3-11H2,1-2H3


name: Pemissine
cas: 19773-24-1
chemspiderid: 161294
formula: C27H41NO3
inchikey: KYELXPJVGNZIGC-GKFGJCLESA-N
norman_susdat_id: NS00094278
pubchem_cid: 141684
smiles:
C[C@H]1C[C@@H]2[C@H]([C@H]([C@]3(O2)CC[C@H]4[C@@H]5CC(=O)[C@H]6C[C@H](CC[C@@]6([C@H]5CC4=C3C)C)O)C)NC1


name: Butyl (Z)-docos-13-enoate
cas: 19773-46-7
formula: C26H50O2
inchikey: AMUBFTQQLDHNQU-SEYXRHQNSA-N
norman_susdat_id: NS00046957
pubchem_cid: 6436513
smiles: O=C(OCCCC)CCCCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C26H50O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(27)28-25-6-4-2/h12-13H,3-11,14-25H2,1-2H3


name: Isobutyl (Z)-docos-13-enoate
cas: 19773-50-3
formula: C26H50O2
inchikey: VTAMRSRSTWWDEQ-QXMHVHEDSA-N
norman_susdat_id: NS00047675
pubchem_cid: 6436514
smiles: O=C(OCC(C)C)CCCCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C26H50O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(27)28-24-25(2)3/h11-12,25H,4-10,13-24H2,1-3H3


name: Hexyl (Z)-docos-13-enoate
cas: 19773-56-9
formula: C28H54O2
inchikey: BTCSWCWVQVIBDB-YPKPFQOOSA-N
norman_susdat_id: NS00047686
pubchem_cid: 6436515
smiles: O=C(OCCCCCC)CCCCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C28H54O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28(29)30-27-25-8-6-4-2/h13-14H,3-12,15-27H2,1-2H3


name: Octyl (Z)-docos-13-enoate
cas: 19773-58-1
formula: C30H58O2
inchikey: MQIFQWJBRAGLBF-PFONDFGASA-N
norman_susdat_id: NS00047687
pubchem_cid: 6436516
smiles: O=C(OCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C30H58O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30(31)32-29-27-25-10-8-6-4-2/h14-15H,3-13,16-29H2,1-2H3


name: Amiodarone hydrochloride
cas: 19774-82-4
chebiid: CHEBI:2664
dtxsid: DTXSID7037185
formula: C25H30ClI2NO3
inchikey: ITPDYQOUSLNIHG-UHFFFAOYSA-N
norman_susdat_id: NS00076387
smiles: Cl.CCCCC1=C(C(=O)C2=CC(I)=C(OCCN(CC)CC)C(I)=C2)C2=C(O1)C=CC=C2
inchi:
InChI=1S/C25H29I2NO3.ClH/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3;/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3;1H


name: (2-Dodecenyl)succinic anhydride
cas: 19780-11-1
chemspiderid: 4515188
dtxsid: DTXSID7025217
formula: C16H26O3
inchikey: UYCICMIUKYEYEU-ZHACJKMWSA-N
norman_susdat_id: NS00010064
pubchem_cid: 5362708
smiles: CCCCCCCCCC=CCC1CC(=O)OC1=O
inchi:
InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-13-15(17)19-16(14)18/h10-11,14H,2-9,12-13H2,1H3/b11-10+


name: 6a-fluoro-17,21-dihydroxy-16a-methylpregna-1,4,9(11)-triene-3,20-dione 21-acetate
cas: 19788-77-3
dtxsid: DTXSID50173495
formula: C24H29FO5
inchikey: OTBHQPRZABRZMT-MQANLOPGSA-N
norman_susdat_id: NS00047689
pubchem_cid: 12150120
smiles: O=C1C=CC2(C(=C1)C(F)CC3C2=CCC4(C)C3CC(C)C4(O)C(=O)COC(=O)C)C
inchi:
InChI=1/C24H29FO5/c1-13-9-18-16-11-20(25)19-10-15(27)5-7-22(19,3)17(16)6-8-23(18,4)24(13,29)21(28)12-30-14(2)26/h5-7,10,13,16,18,20,29H,8-9,11-12H2,1-4H3


name: Apricoxib
cas: 197904-84-0
dtxsid: DTXSID60173502
formula: C19H20N2O3S
inchikey: JTMITOKKUMVWRT-UHFFFAOYSA-N
norman_susdat_id: NS00069629
pubchem_cid: 9820073
smiles: CCOc1ccc(-c2cc(C)cn2-c2ccc(S(N)(=O)=O)cc2)cc1
inchi:
InChI=1S/C19H20N2O3S/c1-3-24-17-8-4-15(5-9-17)19-12-14(2)13-21(19)16-6-10-18(11-7-16)25(20,22)23/h4-13H,3H2,1-2H3,(H2,20,22,23)


name: Trazodone
cas: 19794-93-5
chebiid: CHEBI:9654
chemspiderid: 5332
dtxsid: DTXSID5045043
formula: C19H22Cl1N5O1
inchikey: PHLBKPHSAVXXEF-UHFFFAOYSA-N
norman_susdat_id: NS00010404
pubchem_cid: 5533
smiles: C1CN(CCN1CCCN2C(=O)N3C=CC=CC3=N2)C4=CC(=CC=C4)Cl
inchi:
InChI=1S/C19H22ClN5O/c20-16-5-3-6-17(15-16)23-13-11-22(12-14-23)8-4-10-25-19(26)24-9-2-1-7-18(24)21-25/h1-3,5-7,9,15H,4,8,10-14H2


name: N-(3-(Dimethylamino)propyl)-3-hydroxynaphthalene-2-carboxamide
cas: 19795-11-0
chemspiderid: 78353
dtxsid: DTXSID80173504
formula: C16H20N2O2
inchikey: DFTPLSXMJPFUMX-UHFFFAOYSA-N
norman_susdat_id: NS00026436
pubchem_cid: 88252
smiles: CN(C)CCCNC(=O)c1cc2c(cccc2)cc1O
inchi:
InChI=1S/C16H20N2O2/c1-18(2)9-5-8-17-16(20)14-10-12-6-3-4-7-13(12)11-15(14)19/h3-4,6-7,10-11,19H,5,8-9H2,1-2H3,(H,17,20)


name: Dialuminium tris(5,7,12,14-tetrahydro-7,14-dioxoquino[2,3-b]acridine-2,9-disulphonate)
cas: 19795-24-5
formula: C20H12N2O8S2
inchikey: NTFNBXONJXBAOJ-UHFFFAOYSA-H
norman_susdat_id: NS00047700
pubchem_cid: 118856363
inchi:
InChI=1/3C20H12N2O8S2.2Al/c3*23-19-11-5-9(31(25,26)27)1-3-15(11)21-17-7-14-18(8-13(17)19)22-16-4-2-10(32(28,29)30)6-12(16)20(14)24;;/h3*1-8H,(H,21,23)(H,22,24)(H,25,26,27)(H,28,29,30);;/q;;;2*+3/p-6

smiles:
[Al+3].[Al+3].O=C1C2=CC(=CC=C2NC3=CC=4C(=O)C5=CC(=CC=C5NC4C=C13)S(=O)(=O)[O-])S(=O)(=O)[O-].O=C1C2=CC(=CC=C2NC3=CC=4C(=O)C5=CC(=CC=C5NC4C=C13)S(=O)(=O)[O-])S(=O)(=O)[O-].O=C1C2=CC(=CC=C2NC3=CC=4C(=O)C5=CC(=CC=C5NC4C=C13)S(=O)(=O)[O-])S(=O)(=O)[O-]


name: N-Anthraquinonyl-1-anthranilic acid
cas: 19795-96-1
chemspiderid: 79615
dtxsid: DTXSID40173505
formula: C21H13N1O4
inchikey: BXSCARJCEFJTJZ-UHFFFAOYSA-N
norman_susdat_id: NS00026437
pubchem_cid: 88253
smiles: OC(=O)c1ccccc1Nc1cccc2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C21H13NO4/c23-19-12-6-1-2-7-13(12)20(24)18-15(19)9-5-11-17(18)22-16-10-4-3-8-14(16)21(25)26/h1-11,22H,(H,25,26)


name: 2,5-diphenylfuran-3,4-dicarboxylic acid
cas: 19799-49-6
dtxsid: DTXSID10277660
formula: C18H12O5
inchikey: QPKYPOMZPFDBEZ-UHFFFAOYSA-N
norman_susdat_id: NS00068265
pubchem_cid: 220535
smiles: O=C(O)c1c(-c2ccccc2)oc(-c2ccccc2)c1C(=O)O
inchi:
InChI=1S/C18H12O5/c19-17(20)13-14(18(21)22)16(12-9-5-2-6-10-12)23-15(13)11-7-3-1-4-8-11/h1-10H,(H,19,20)(H,21,22)


name: Phenol, 4-[[2-methoxy-4-[(4-nitrophenyl)azo]phenyl]azo]-
cas: 19800-42-1
chemspiderid: 4588344
dtxsid: DTXSID5066532
formula: C19H15N5O4
inchikey: PTIVACHGVHIMMK-UHFFFAOYSA-N
norman_susdat_id: NS00019954
pubchem_cid: NA
smiles: COc1c(NN=C2C=CC(=O)C=C2)ccc(c1)N=Nc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C19H15N5O4/c1-28-19-12-15(22-20-13-2-7-16(8-3-13)24(26)27)6-11-18(19)23-21-14-4-9-17(25)10-5-14/h2-12,23H,1H3/b22-20+


cas: 1980039-13-1
dtxsid: DTXSID80895618
formula: C36H22F50I2
inchikey: SEQYYJKDJLYILZ-UHFFFAOYSA-N
norman_susdat_id: NS00111753
name:
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,25,25,26,26,27,27,28,28,29,29,30,30,31,31,32,32,33,33,34,34,35,35,36,36,36-Pentacontafluoro-14,23-diiodohexatriacontane

inchi:
InChI=1/C36H22F50I2/c37-13(38,15(41,42)17(45,46)19(49,50)21(53,54)23(57,58)25(61,62)27(65,66)29(69,70)31(73,74)33(77,78)35(81,82)83)9-11(87)7-5-3-1-2-4-6-8-12(88)10-14(39,40)16(43,44)18(47,48)20(51,52)22(55,56)24(59,60)26(63,64)28(67,68)30(71,72)32(75,76)34(79,80)36(84,85)86/h11-12H,1-10H2

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)C(F)(F)C(F)(F)CC(I)CCCCCCCCC(I)CC(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: 1,12-Bis(perfluorodecyl)-n-dodecane
cas: 1980039-46-0
dtxsid: DTXSID40896828
formula: C32H24F42
inchikey: VABACYFDDRVUKV-UHFFFAOYSA-N
norman_susdat_id: NS00110485
inchi:
InChI=1S/C32H24F42/c33-13(34,15(37,38)17(41,42)19(45,46)21(49,50)23(53,54)25(57,58)27(61,62)29(65,66)31(69,70)71)11-9-7-5-3-1-2-4-6-8-10-12-14(35,36)16(39,40)18(43,44)20(47,48)22(51,52)24(55,56)26(59,60)28(63,64)30(67,68)32(72,73)74/h1-12H2

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)CCCCCCCCCCCCC(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: 1,8-Bis(perfluorododecyl)-2,7-diiodooctane
cas: 1980044-62-9
dtxsid: DTXSID20896826
formula: C32H14F50I2
inchikey: QGKNMQUBVNOYTQ-UHFFFAOYSA-N
norman_susdat_id: NS00109799
inchi:
InChI=1/C32H14F50I2/c33-9(34,11(37,38)13(41,42)15(45,46)17(49,50)19(53,54)21(57,58)23(61,62)25(65,66)27(69,70)29(73,74)31(77,78)79)5-7(83)3-1-2-4-8(84)6-10(35,36)12(39,40)14(43,44)16(47,48)18(51,52)20(55,56)22(59,60)24(63,64)26(67,68)28(71,72)30(75,76)32(80,81)82/h7-8H,1-6H2

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)CC(I)CCCCC(I)CC(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: 1,12-Bis(perfluorodecyl)-2,11-diiodododecane
cas: 1980048-92-7
dtxsid: DTXSID60896825
formula: C32H22F42I2
inchikey: DQXIYVFFIHADCW-UHFFFAOYSA-N
norman_susdat_id: NS00111158
inchi:
InChI=1/C32H22F42I2/c33-13(34,15(37,38)17(41,42)19(45,46)21(49,50)23(53,54)25(57,58)27(61,62)29(65,66)31(69,70)71)9-11(75)7-5-3-1-2-4-6-8-12(76)10-14(35,36)16(39,40)18(43,44)20(47,48)22(51,52)24(55,56)26(59,60)28(63,64)30(67,68)32(72,73)74/h11-12H,1-10H2

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)CC(I)CCCCCCCCC(I)CC(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: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-Tricosafluoroheptacosane
cas: 1980054-34-9
dtxsid: DTXSID50895428
formula: C27H33F23
inchikey: MOUKMEQUQYGSIA-UHFFFAOYSA-N
norman_susdat_id: NS00110710
smiles: CCCCCCCCCCCCCCCCC(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
inchi:
InChI=1S/C27H33F23/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)22(38,39)23(40,41)24(42,43)25(44,45)26(46,47)27(48,49)50/h2-16H2,1H3


cas: 1980064-30-9
dtxsid: DTXSID50895589
formula: C28H14F42I2
inchikey: MOHPJJQBMZLKSR-UHFFFAOYSA-N
norman_susdat_id: NS00110726
name:
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,27,27,28,28,28-Dotetracontafluoro-12,17-diiodooctacosane

inchi:
InChI=1/C28H14F42I2/c29-9(30,11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)21(53,54)23(57,58)25(61,62)27(65,66)67)5-7(71)3-1-2-4-8(72)6-10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(51,52)22(55,56)24(59,60)26(63,64)28(68,69)70/h7-8H,1-6H2

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)CC(I)CCCCC(I)CC(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: 1,1,1,2,2,3,3,4,4,5,5,19,19,20,20,21,21,22,22,23,23,23-Docosafluorotricosane
cas: 1980076-48-9
dtxsid: DTXSID50895408
formula: C23H26F22
inchikey: JGSMPDWWNWUKFQ-UHFFFAOYSA-N
norman_susdat_id: NS00110708
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C23H26F22/c24-14(25,16(28,29)18(32,33)20(36,37)22(40,41)42)12-10-8-6-4-2-1-3-5-7-9-11-13-15(26,27)17(30,31)19(34,35)21(38,39)23(43,44)45/h1-13H2


cas: 1980086-18-7
dtxsid: DTXSID60895590
formula: C26H10F42I2
inchikey: LSSMOSYTCGGJLI-UHFFFAOYSA-N
norman_susdat_id: NS00111058
name:
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,17,17,18,18,19,19,20,20,21,21,22,22,23,23,24,24,25,25,26,26,26-Dotetracontafluoro-12,15-diiodohexacosane

inchi:
InChI=1/C26H10F42I2/c27-7(28,9(31,32)11(35,36)13(39,40)15(43,44)17(47,48)19(51,52)21(55,56)23(59,60)25(63,64)65)3-5(69)1-2-6(70)4-8(29,30)10(33,34)12(37,38)14(41,42)16(45,46)18(49,50)20(53,54)22(57,58)24(61,62)26(66,67)68/h5-6H,1-4H2

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)C(F)(F)C(F)(F)CC(I)CCC(I)CC(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: N,N''-bis[[(4-chlorophenyl)amino]iminomethyl]piperazine-1,4-dicarboxamidine dihydrochloride
cas: 19803-62-4
formula: C20H24Cl2N10.2ClH
inchikey: VJVSCTKGPDDOBN-UHFFFAOYSA-N
norman_susdat_id: NS00083095
smiles: Cl.Cl.Clc1ccc(NC(=N)NC(=N)N2CCN(CC2)C(=N)NC(=N)Nc3ccc(Cl)cc3)cc1
inchi:
InChI=1/C20H24Cl2N10.2ClH/c21-13-1-5-15(6-2-13)27-17(23)29-19(25)31-9-11-32(12-10-31)20(26)30-18(24)28-16-7-3-14(22)4-8-16;;/h1-8H,9-12H2,(H4,23,25,27,29)(H4,24,26,28,30);2*1H


name: (±)-3-[[(2-aminoethoxy)hydroxyphosphinoyl]oxy]-2-hydroxypropyl hexadecanoate
cas: 19805-23-3
chebiid: CHEBI:176760
formula: C21H44NO7P
inchikey: YVYMBNSKXOXSKW-UHFFFAOYSA-N
norman_susdat_id: NS00047196
pubchem_cid: NA
smiles: O=C(OCC(O)COP(=O)(O)OCCN)CCCCCCCCCCCCCCC
inchi:
InChI=1/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)


name: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoropentadec-7-ene
cas: 1980786-99-9
dtxsid: DTXSID10895429
formula: C15H17F13
inchikey: OLZXZQQEKJLLNV-UHFFFAOYSA-N
norman_susdat_id: NS00109339
smiles: CCCCCCCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C15H17F13/c1-2-3-4-5-6-7-8-9-10(16,17)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h8-9H,2-7H2,1H3


name: Sulfadimidine sodium
cas: 1981-58-4
formula: C12H14N4O2S.Na
inchikey: JKGJENILJJEHOM-UHFFFAOYSA-N
norman_susdat_id: NS00081835
smiles: [Na+].Cc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1
inchi:
InChI=1/C12H14N4O2S.Na/c1-8-7-9(2)15-12(14-8)16-19(17,18)11-5-3-10(13)4-6-11;/h3-7H,13H2,1-2H3,(H,14,15,16);/q;+1


name: 1-(2,4-dihydroxyphenyl)undecanone
cas: 19810-04-9
dtxsid: DTXSID30941639
formula: C17H26O3
inchikey: ZCDLYKFRHUMMOU-UHFFFAOYSA-N
norman_susdat_id: NS00047875
pubchem_cid: 21116378
smiles: O=C(CC1=CC=C(O)C=C1O)CCCCCCCCC
inchi:
InChI=1/C17H26O3/c1-2-3-4-5-6-7-8-9-15(18)12-14-10-11-16(19)13-17(14)20/h10-11,13,19-20H,2-9,12H2,1H3


name: 1,3-diphenylpropan-2-one tosylhydrazone
cas: 19816-88-7
dtxsid: DTXSID20941648
formula: C22H22N2O2S
inchikey: GDXUEUWCUUAZFM-UHFFFAOYSA-N
norman_susdat_id: NS00048542
pubchem_cid: 88263
smiles: O=S(=O)(NN=C(CC=1C=CC=CC1)CC=2C=CC=CC2)C3=CC=C(C=C3)C
inchi:
InChI=1/C22H22N2O2S/c1-18-12-14-22(15-13-18)27(25,26)24-23-21(16-19-8-4-2-5-9-19)17-20-10-6-3-7-11-20/h2-15,24H,16-17H2,1H3


name: Uridine 5'-(trisodium pyrophosphate)
cas: 19817-91-5
formula: C9H14N2O12P2.3Na
inchikey: GFASEGWJDXDCKZ-UHFFFAOYSA-K
norman_susdat_id: NS00083183
smiles: OC1C(O)C(OC1COP(=O)(O[Na])OP(=O)(O[Na])O[Na])N2C=CC(=O)NC2=O
inchi:
InChI=1/C9H14N2O12P2.3Na/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18;;;/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18);;;/q;3*+1/p-3/rC9H11N2Na3O12P2/c12-23-27(19,26-28(20,24-13)25-14)21-3-4-6(16)7(17)8(22-4)11-2-1-5(15)10-9(11)18/h1-2,4,6-8,16-17H,3H2,(H,10,15,18)


name: Methdilazine
cas: 1982-37-2
chebiid: CHEBI:6823
chemspiderid: 2497215
dtxsid: DTXSID6023282
formula: C18H20N2S1
inchikey: HTMIBDQKFHUPSX-UHFFFAOYNA-N
norman_susdat_id: NS00026450
pubchem_cid: NA
smiles: CN1CCC(CN2c3c(Sc4c2cccc4)cccc3)C1
inchi:
InChI=1S/C18H20N2S/c1-19-11-10-14(12-19)13-20-15-6-2-4-8-17(15)21-18-9-5-3-7-16(18)20/h2-9,14H,10-13H2,1H3/t14-/m0/s1


name: Chloroxuron
cas: 1982-47-4
chebiid: CHEBI:82200
chemspiderid: 15299
dtxsid: DTXSID7040287
formula: C15H15Cl1N2O2
inchikey: IVUXTESCPZUGJC-UHFFFAOYSA-N
norman_susdat_id: NS00010440
pubchem_cid: 16115
smiles: CN(C)C(=O)NC1=CC=C(C=C1)OC2=CC=C(C=C2)Cl
eea_notation: CAS_1982-47-4
inchi:
InChI=1S/C15H15ClN2O2/c1-18(2)15(19)17-12-5-9-14(10-6-12)20-13-7-3-11(16)4-8-13/h3-10H,1-2H3,(H,17,19)


name: Siduron
cas: 1982-49-6
chebiid: CHEBI:81744
chemspiderid: 15300
dtxsid: DTXSID7032474
formula: C14H20N2O1
inchikey: JXVIIQLNUPXOII-UHFFFAOYSA-N
norman_susdat_id: NS00009230
pubchem_cid: 16116
smiles: CC1CCCCC1NC(=O)Nc1ccccc1
inchi:
InChI=1S/C14H20N2O/c1-11-7-5-6-10-13(11)16-14(17)15-12-8-3-2-4-9-12/h2-4,8-9,11,13H,5-7,10H2,1H3,(H2,15,16,17)


name: Pirnabine
cas: 19825-63-9
dtxsid: DTXSID00867559
formula: C19H24O3
inchikey: AADNQNOXNWEYHS-NSHDSACASA-N
norman_susdat_id: NS00068058
smiles: CC(=O)Oc1cc(C)cc2c1C1=C(CC[C@H](C)C1)C(C)(C)O2
inchi:
InChI=1S/C19H24O3/c1-11-6-7-15-14(8-11)18-16(21-13(3)20)9-12(2)10-17(18)22-19(15,4)5/h9-11H,6-8H2,1-5H3/t11-/m0/s1


name: (Heptadecafluorooctyl)(dimethyl)silane
cas: 198283-43-1
dtxsid: DTXSID20772777
formula: C10H7F17Si
inchikey: QFVRNIYYIPHRNY-UHFFFAOYSA-N
norman_susdat_id: NS00109560
smiles: C[SiH](C)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=1S/C10H7F17Si/c1-28(2)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h28H,1-2H3


name: 2-(3,4-Dihydroxyphenyl)-7-(beta-D-glucopyranosyloxy)-3,5-dihydroxy-6-methoxy-4H-1-benzopyran-4-one
cas: 19833-25-1
chemspiderid: 4478519
dtxsid: DTXSID70173573
formula: C22H22O13
inchikey: AFCDXKGLUDDXCK-NPSMOHFVSA-N
norman_susdat_id: NS00026455
pubchem_cid: 5483974
smiles: COc1c(O)c2c(oc(c(O)c2=O)c2cc(O)c(O)cc2)cc1O[C@H]1O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C22H22O13/c1-32-21-11(34-22-19(31)17(29)14(26)12(6-23)35-22)5-10-13(16(21)28)15(27)18(30)20(33-10)7-2-3-8(24)9(25)4-7/h2-5,12,14,17,19,22-26,28-31H,6H2,1H3/t12-,14-,17+,19-,22-/m0/s1


name: Sulfasymazine
cas: 1984-94-7
chebiid: CHEBI:135305
chemspiderid: 15316
dtxsid: DTXSID80173584
formula: C13H17N5O2S1
inchikey: ZQMQGBHQZZQTJE-UHFFFAOYSA-N
norman_susdat_id: NS00011883
pubchem_cid: 16132
smiles: CCc1nc(nc(n1)NS(=O)(=O)c2ccc(cc2)N)CC
inchi:
InChI=1S/C13H17N5O2S/c1-3-11-15-12(4-2)17-13(16-11)18-21(19,20)10-7-5-9(14)6-8-10/h5-8H,3-4,14H2,1-2H3,(H,15,16,17,18)


name: {1-Methyl-2-[(1,2,2-trimethylbicyclo[3.1.0]hex-3-yl)methyl]cyclopropyl}methanol
cas: 198404-98-7
chemspiderid: 13658169
dtxsid: DTXSID8051837
formula: C15H26O1
inchikey: OAKFACUIGQLOCA-UHFFFAOYNA-N
norman_susdat_id: NS00019554
pubchem_cid: NA
smiles: CC1(CO)CC1CC1CC2CC2(C)C1(C)C
inchi:
InChI=1S/C15H26O/c1-13(2)10(6-12-8-15(12,13)4)5-11-7-14(11,3)9-16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1


name: 1-[bis(2-hydroxyethyl)amino]hexadecan-2-ol
cas: 19845-37-5
dtxsid: DTXSID90885101
formula: C20H43NO3
inchikey: GGHQVHKMWVITSI-UHFFFAOYSA-N
norman_susdat_id: NS00047944
pubchem_cid: 89236
smiles: OCCN(CCO)CC(O)CCCCCCCCCCCCCC
inchi:
InChI=1/C20H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(24)19-21(15-17-22)16-18-23/h20,22-24H,2-19H2,1H3


name: Parecoxib
cas: 198470-84-7
chebiid: CHEBI:73038
chemspiderid: 106990
dtxsid: DTXSID1044229
formula: C19H18N2O4S1
inchikey: TZRHLKRLEZJVIJ-UHFFFAOYSA-N
norman_susdat_id: NS00004159
pubchem_cid: 119828
smiles: CCC(=O)NS(=O)(=O)c1ccc(cc1)-c1c(C)onc1-c1ccccc1
inchi:
InChI=1S/C19H18N2O4S/c1-3-17(22)21-26(23,24)16-11-9-14(10-12-16)18-13(2)25-20-19(18)15-7-5-4-6-8-15/h4-12H,3H2,1-2H3,(H,21,22)


name: Pipendoxifene
cas: 198480-55-6
dtxsid: DTXSID40870209
formula: C29H32N2O3
inchikey: JICOGKJOQXTAIP-UHFFFAOYSA-N
norman_susdat_id: NS00068367
pubchem_cid: 6433099
smiles: Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
inchi:
InChI=1S/C29H32N2O3/c1-21-27-19-25(33)11-14-28(27)31(29(21)23-7-9-24(32)10-8-23)20-22-5-12-26(13-6-22)34-18-17-30-15-3-2-4-16-30/h5-14,19,32-33H,2-4,15-18,20H2,1H3


name: Bazedoxifene
cas: 198481-32-2
chebiid: CHEBI:135947
chemspiderid: 135921
dtxsid: DTXSID70173593
formula: C30H34N2O3
inchikey: UCJGJABZCDBEDK-UHFFFAOYSA-N
norman_susdat_id: NS00007594
pubchem_cid: 154257
smiles: Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCCC3)cc2)c2ccc(O)cc12
inchi:
InChI=1S/C30H34N2O3/c1-22-28-20-26(34)12-15-29(28)32(30(22)24-8-10-25(33)11-9-24)21-23-6-13-27(14-7-23)35-19-18-31-16-4-2-3-5-17-31/h6-15,20,33-34H,2-5,16-19,21H2,1H3


cas: 1985-21-3
formula: C19H25N7O15P2
inchikey: FZCSEXOMUJFOHQ-KPKSGTNCSA-N
norman_susdat_id: NS00071689
pubchem_cid: 164908
name:
[(2-{[({[5-(6-amino-9h-purin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy}(hydroxy)phosphoryl)oxy]methyl}-5-(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)-4-hydroxyoxolan-3-yl)oxy]phosphonic acid

inchi:
InChI=1S/C19H25N7O15P2/c20-15-10-16(22-5-21-15)26(6-23-10)18-11(29)13(7(3-27)38-18)41-43(35,36)37-4-8-14(40-42(32,33)34)12(30)17(39-8)25-2-1-9(28)24-19(25)31/h1-2,5-8,11-14,17-18,27,29-30H,3-4H2,(H,35,36)(H2,20,21,22)(H,24,28,31)(H2,32,33,34)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1

smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O[P@](=O)(O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2OP(=O)(O)O)[C@H]1O


name: Bis[(3,4-epoxy-6-methylcyclohexyl)methyl] adipate
cas: 1985-84-8
dtxsid: DTXSID60883710
formula: C22H34O6
inchikey: LMMDJMWIHPEQSJ-UHFFFAOYSA-N
norman_susdat_id: NS00045435
pubchem_cid: 16138
smiles: O=C(OCC1CC2OC2CC1C)CCCCC(=O)OCC3CC4OC4CC3C
inchi:
InChI=1/C22H34O6/c1-13-7-17-19(27-17)9-15(13)11-25-21(23)5-3-4-6-22(24)26-12-16-10-20-18(28-20)8-14(16)2/h13-20H,3-12H2,1-2H3


name: Dibenzyl terephthalate
cas: 19851-61-7
chemspiderid: 79640
dtxsid: DTXSID80173600
formula: C22H18O4
inchikey: IWGFEQWCMAADJZ-UHFFFAOYSA-N
norman_susdat_id: NS00026463
pubchem_cid: 88280
smiles: O=C(OCc1ccccc1)c1ccc(cc1)C(=O)OCc1ccccc1
inchi:
InChI=1S/C22H18O4/c23-21(25-15-17-7-3-1-4-8-17)19-11-13-20(14-12-19)22(24)26-16-18-9-5-2-6-10-18/h1-14H,15-16H2


name: Purpurea glycoside B (Glucogitoxin)
cas: 19855-39-1
chemspiderid: 197988
formula: C47H74O19
inchikey: XBTFSPYPZZJUIG-LAFKWZLNSA-N
norman_susdat_id: NS00093794
pubchem_cid: 171365
smiles:
C[C@@H]1[C@H]([C@H](C[C@H](O1)O[C@@H]2[C@H](O[C@@H](C[C@@H]2O[C@@H]3C[C@@H]([C@@H]([C@H](O3)C)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5CC[C@]6([C@@H](C5)CC[C@@H]7[C@@H]6CC[C@]8(C7(C[C@@H]([C@@H]8C9=CC(=O)OC9)O)O)C)C)C)O)O


name: Purpurea glycoside A (Glucodigitoxin)
cas: 19855-40-4
chemspiderid: 197989
formula: C47H74O18
inchikey: WJOCFXCSQDOQQR-MIKBVDKDSA-N
norman_susdat_id: NS00093793
pubchem_cid: 171366
smiles:
C[C@@H]1[C@H]([C@H](C[C@H](O1)O[C@@H]2[C@H](O[C@@H](C[C@@H]2O[C@@H]3C[C@@H]([C@@H]([C@H](O3)C)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O[C@H]5CC[C@]6([C@@H](C5)CC[C@@H]7[C@@H]6CC[C@]8(C7(CC[C@@H]8C9=CC(=O)OC9)O)C)C)C)O)O


name: Allyl oleate
cas: 19855-52-8
formula: C21H38O2
inchikey: SOAVQBSGNVIIEI-QXMHVHEDSA-N
norman_susdat_id: NS00047930
pubchem_cid: 5356107
smiles: O=C(OCC=C)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C21H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20-4-2/h4,11-12H,2-3,5-10,13-20H2,1H3


name: Calcium fumarate (1:1)
cas: 19855-56-2
formula: C4H4O4.Ca
inchikey: BCNKQFGYNMWTRX-YOTINIEPSA-L
norman_susdat_id: NS00082928
smiles: [CaH2].[O-]C(=O)\C=C\C(=O)[O-]
inchi:
InChI=1/C4H4O4.Ca.2H/c5-3(6)1-2-4(7)8;;;/h1-2H,(H,5,6)(H,7,8);;;/q;+2;;/p-2/rC4H4O4.CaH2/c5-3(6)1-2-4(7)8;/h1-2H,(H,5,6)(H,7,8);1H2/q;+2/p-2


name: Dimethyl(octadecyl)ammonium acetate
cas: 19855-61-9
formula: C20H43N.C2H4O2
inchikey: UUPXKAJPMYOPLF-UHFFFAOYSA-N
norman_susdat_id: NS00083210
smiles: CCCCCCCCCCCCCCCCCC[NH+](C)C.CC(=O)[O-]
inchi:
InChI=1/C20H43N.C2H4O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(2)3;1-2(3)4/h4-20H2,1-3H3;1H3,(H,3,4)


name: 2,2'-[(1,2-dicarboxyethylene)bis(thio)]bis[1,3,2-dithiastibolane-4,5-dicarboxylic] acid
cas: 1986-66-9
formula: C12H12O12S6Sb2
inchikey: WRIDGMJGKDWAJY-UHFFFAOYSA-H
norman_susdat_id: NS00081856
smiles: OC(=O)C(S[Sb]1SC(C(S1)C(=O)O)C(=O)O)C(S[Sb]2SC(C(S2)C(=O)O)C(=O)O)C(=O)O
inchi:
InChI=1/3C4H6O4S2.2Sb/c3*5-3(6)1(9)2(10)4(7)8;;/h3*1-2,9-10H,(H,5,6)(H,7,8);;/q;;;2*+3/p-6/rC12H12O12S6Sb2/c13-7(14)1-2(8(15)16)26-31(25-1)29-5(11(21)22)6(12(23)24)30-32-27-3(9(17)18)4(28-32)10(19)20/h1-6H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)


name: Calotropin
cas: 1986-70-5
chebiid: CHEBI:3329
chemspiderid: 15326
dtxsid: DTXSID10173613
formula: C29H40O9
inchikey: OWPWFVVPBYFKBG-NYVHBPEFSA-N
norman_susdat_id: NS00094620
pubchem_cid: 16142
inchi:
InChI=1S/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,23+,25+,26-,27-,28+,29+/m1/s1

smiles:
C[C@@H]1C[C@H](O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C[C@H]3O[C@@H]2O1


name: Tris[3-(allyloxy)-2-chloropropyl] phosphite
cas: 19865-30-6
dtxsid: DTXSID20941704
formula: C18H30Cl3O6P
inchikey: KIJPXDAIDVAZHQ-UHFFFAOYSA-N
norman_susdat_id: NS00048622
pubchem_cid: 89237
smiles: ClC(COP(OCC(Cl)COCC=C)OCC(Cl)COCC=C)COCC=C
inchi:
InChI=1/C18H30Cl3O6P/c1-4-7-22-10-16(19)13-25-28(26-14-17(20)11-23-8-5-2)27-15-18(21)12-24-9-6-3/h4-6,16-18H,1-3,7-15H2


name: Tuliposide B
cas: 19870-33-8
chebiid: CHEBI:9778
chemspiderid: 390273
dtxsid: DTXSID80331602
formula: C11H18O9
inchikey: KVRQQFBSAHPTAB-FUYPYFFWSA-N
norman_susdat_id: NS00094816
pubchem_cid: 441643
smiles: OCC(O)C(=C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
inchi:
InChI=1S/C11H18O9/c1-4(5(14)2-12)10(18)20-11-9(17)8(16)7(15)6(3-13)19-11/h5-9,11-17H,1-3H2/t5?,6-,7-,8+,9-,11+/m1/s1


name: Lisuride hydrogen maleate
cas: 19875-60-6
chebiid: CHEBI:31776
formula: C20H26N4O.C4H4O4
inchikey: CVQFAMQDTWVJSV-BAXNFHPCSA-N
norman_susdat_id: NS00083211
smiles: CCN(CC)C(=O)N[C@@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34.OC(=O)\C=C/C(=O)O
inchi:
InChI=1/C20H26N4O.C4H4O4/c1-4-24(5-2)20(25)22-14-10-16-15-7-6-8-17-19(15)13(11-21-17)9-18(16)23(3)12-14;5-3(6)1-2-4(7)8/h6-8,10-11,14,18,21H,4-5,9,12H2,1-3H3,(H,22,25);1-2H,(H,5,6)(H,7,8)


name: Vincanol
cas: 19877-89-5
formula: C19H24N2O
inchikey: HONLKDDLTAZVQV-UHOSZYNNSA-N
norman_susdat_id: NS00048623
pubchem_cid: 10017481
smiles: OC1N2C=3C=CC=CC3C4=C2C5N(CC4)CCCC5(CC)C1
inchi:
InChI=1/C19H24N2O/c1-2-19-9-5-10-20-11-8-14-13-6-3-4-7-15(13)21(16(22)12-19)17(14)18(19)20/h3-4,6-7,16,18,22H,2,5,8-12H2,1H3


name: 2,5-Bis((1,1,3,3-tetramethylbutyl)dithio)-1,3,4-thiadiazole
cas: 19878-61-6
chemspiderid: 79651
dtxsid: DTXSID30173630
formula: C18H34N2S5
inchikey: LRYZVOQZDMSPCB-UHFFFAOYSA-N
norman_susdat_id: NS00026468
pubchem_cid: 88291
smiles: CC(C)(C)CC(C)(C)SSc1nnc(SSC(C)(C)CC(C)(C)C)s1
inchi:
InChI=1S/C18H34N2S5/c1-15(2,3)11-17(7,8)24-22-13-19-20-14(21-13)23-25-18(9,10)12-16(4,5)6/h11-12H2,1-10H3


name: 1-Thio-beta-D-glucose 2,3,4,6-tetraacetate
cas: 19879-84-6
chemspiderid: 79653
dtxsid: DTXSID50173632
formula: C14H20O9S1
inchikey: SFOZKJGZNOBSHF-RGDJUOJXSA-N
norman_susdat_id: NS00026469
pubchem_cid: 88293
smiles: CC(=O)OCC1OC(S)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C
inchi:
InChI=1S/C14H20O9S/c1-6(15)19-5-10-11(20-7(2)16)12(21-8(3)17)13(14(24)23-10)22-9(4)18/h10-14,24H,5H2,1-4H3/t10-,11-,12+,13+,14-/m0/s1


name: Merimepodib
cas: 198821-22-6
dtxsid: DTXSID70173639
formula: C23H24N4O6
inchikey: JBPUGFODGPKTDW-SFHVURJKSA-N
norman_susdat_id: NS00069697
pubchem_cid: 153241
smiles: COc1cc(NC(=O)Nc2cccc(CNC(=O)O[C@H]3CCOC3)c2)ccc1-c1cnco1
inchi:
InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)/t18-/m0/s1


name: Isatoribine
cas: 198832-38-1
dtxsid: DTXSID20924330
formula: C10H12N4O6S
inchikey: TZYVRXZQAWPIAB-FCLHUMLKSA-N
norman_susdat_id: NS00070397
smiles: Nc1nc(=O)c2sc(=O)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1
inchi:
InChI=1S/C10H12N4O6S/c11-9-12-6-5(7(18)13-9)21-10(19)14(6)8-4(17)3(16)2(1-15)20-8/h2-4,8,15-17H,1H2,(H3,11,12,13,18)/t2-,3-,4-,8-/m1/s1


name: AranotineÂ
cas: 19885-51-9
chemspiderid: 27731
formula: C20H18N2O7S2
inchikey: HXWOWBFXYUFFKS-UHFFFAOYSA-N
norman_susdat_id: NS00011773
pubchem_cid: 29844
smiles: CC(=O)OC1C=COC=C2C1N3C(=O)C45CC6=COC=CC(C6N4C(=O)C3(C2)SS5)O
inchi:
InChI=1S/C20H18N2O7S2/c1-10(23)29-14-3-5-28-9-12-7-20-17(25)21-15-11(8-27-4-2-13(15)24)6-19(21,30-31-20)18(26)22(20)16(12)14/h2-5,8-9,13-16,24H,6-7H2,1H3


name: Fluazacort
cas: 19888-56-3
chebiid: CHEBI:135743
formula: C25H30FNO6
inchikey: BYZCJOHDXLROEC-RBWIMXSLSA-N
norman_susdat_id: NS00047249
pubchem_cid: 10072906
smiles: O=C1C=CC2(C(=C1)CCC3C4CC5OC(=NC5(C(=O)COC(=O)C)C4(C)CC(O)C32F)C)C
inchi:
InChI=1/C25H30FNO6/c1-13-27-25(20(31)12-32-14(2)28)21(33-13)10-18-17-6-5-15-9-16(29)7-8-22(15,3)24(17,26)19(30)11-23(18,25)4/h7-9,17-19,21,30H,5-6,10-12H2,1-4H3


name: 3-methyl-5-(3,4,4a,5,6,7,8,8a-octahydro-2,5,5,8a-tetramethyl-1-naphthyl)pent-2-en-1-al
cas: 19889-13-5
dtxsid: DTXSID00941742
formula: C20H32O
inchikey: MXYNLAVXJVCXNM-UHFFFAOYSA-N
norman_susdat_id: NS00047964
pubchem_cid: 89241
smiles: O=CC=C(C)CCC1=C(C)CCC2C1(C)CCCC2(C)C
inchi:
InChI=1/C20H32O/c1-15(11-14-21)7-9-17-16(2)8-10-18-19(3,4)12-6-13-20(17,18)5/h11,14,18H,6-10,12-13H2,1-5H3


name: Cholest-5-en-3ß-yl myristate
cas: 1989-52-2
chebiid: CHEBI:84304
dtxsid: DTXSID20941744
formula: C41H72O2
inchikey: SJDMTGSQPOFVLR-ZPQCIJQQSA-N
norman_susdat_id: NS00045437
pubchem_cid: 99486
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCCCCCCCC
inchi:
InChI=1/C41H72O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-39(42)43-34-26-28-40(5)33(30-34)22-23-35-37-25-24-36(32(4)20-18-19-31(2)3)41(37,6)29-27-38(35)40/h22,31-32,34-38H,7-21,23-30H2,1-6H3


name: Atazanavir
cas: 198904-31-3
chebiid: CHEBI:37924
chemspiderid: 10619288
dtxsid: DTXSID9048691
formula: C38H52N6O7
inchikey: AXRYRYVKAWYZBR-GASGPIRDSA-N
norman_susdat_id: NS00000470
pubchem_cid: 148192
smiles: CC(C)(C)C(C(=O)NC(CC1=CC=CC=C1)C(CN(CC2=CC=C(C=C2)C3=CC=CC=N3)NC(=O)C(C(C)(C)C)NC(=O)OC)O)NC(=O)OC
inchi:
InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1


cas: 19892-19-4
chemspiderid: 468897
formula: C16H20O4
inchikey: ODNZGWQSPYLHGS-UHFFFAOYSA-N
norman_susdat_id: NS00010753
pubchem_cid: 538432
smiles: CC1=C2CC(C(CC2OC1=O)(C)C=C)C(=C)C(=O)OC
name:
5-Benzofuranacetic acid, 6-ethenyl-2,4,5,6,7,7a-hexahydro-3,6-dimethyl-Ã -methylene-2-oxo-, methyl ester

inchi:
InChI=1S/C16H20O4/c1-6-16(4)8-13-11(9(2)15(18)20-13)7-12(16)10(3)14(17)19-5/h6,12-13H,1,3,7-8H2,2,4-5H3


name: Hiptagin
cas: 19896-10-7
chemspiderid: 54037230
formula: C18H24N4O18
inchikey: LJVCXBYIAUSOIN-PRNPZUBZSA-N
norman_susdat_id: NS00094125
pubchem_cid: 58828681
smiles:
C(C[N+](=O)[O-])C(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC(=O)CC[N+](=O)[O-])OC(=O)CC[N+](=O)[O-])O)OC(=O)CC[N+](=O)[O-]


name: tetra-1-naphthyl 3,3',5,5'-tetra-tert-butyl-6,6'-dimethylbiphenyl-2,2'-diyl bis(phosphite)
cas: 198979-98-5
inchikey: VMSSNFJFTZZCAY-UHFFFAOYSA-N
norman_susdat_id: NS00078770
smiles:
P(OC1=CC=CC2=CC=CC=C12)(OC1=CC=CC2=CC=CC=C12)OC1=C(C(=C(C=C1C(C)(C)C)C(C)(C)C)C)C1=C(C(=CC(=C1C)C(C)(C)C)C(C)(C)C)OP(OC1=CC=CC2=CC=CC=C12)OC1=CC=CC2=CC=CC=C12


name: 2-Hydroxy-4,6-bismorpholino-1,3,5-triazin
cas: 19899-85-5
chemspiderid: 595459
formula: C11H17N5O3
inchikey: ITWXPXDYRAKSPM-UHFFFAOYSA-N
norman_susdat_id: NS00001924
pubchem_cid: 683541
smiles: Oc1nc(nc(n1)N1CCOCC1)N1CCOCC1
inchi:
InChI=1S/C11H17N5O3/c17-11-13-9(15-1-5-18-6-2-15)12-10(14-11)16-3-7-19-8-4-16/h1-8H2,(H,12,13,14,17)


name: Cholest-5-en-3-ß-yl cinnamate
cas: 1990-11-0
formula: C36H52O2
inchikey: FESYLMLHRKCTFF-MFLJIVHPSA-N
norman_susdat_id: NS00045438
pubchem_cid: 6436898
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)C=CC=5C=CC=CC5
inchi:
InChI=1/C36H52O2/c1-25(2)10-9-11-26(3)31-17-18-32-30-16-15-28-24-29(38-34(37)19-14-27-12-7-6-8-13-27)20-22-35(28,4)33(30)21-23-36(31,32)5/h6-8,12-15,19,25-26,29-33H,9-11,16-18,20-24H2,1-5H3


name: 4,4'-Methylenebis(2-ethylaniline)
cas: 19900-65-3
chemspiderid: 79665
dtxsid: DTXSID2051841
formula: C17H22N2
inchikey: CBEVWPCAHIAUOD-UHFFFAOYSA-N
norman_susdat_id: NS00019955
pubchem_cid: 88306
smiles: CCc1cc(Cc2cc(CC)c(N)cc2)ccc1N
inchi:
InChI=1S/C17H22N2/c1-3-14-10-12(5-7-16(14)18)9-13-6-8-17(19)15(4-2)11-13/h5-8,10-11H,3-4,9,18-19H2,1-2H3


name: Benzenamine, 4,4'-methylenebis[2,6-bis(1-methylethyl)-
cas: 19900-69-7
chemspiderid: 14660347
dtxsid: DTXSID9066544
formula: C25H38N2
inchikey: KZTROCYBPMKGAW-UHFFFAOYSA-N
norman_susdat_id: NS00020164
pubchem_cid: 88307
smiles: CC(C)c1cc(Cc2cc(C(C)C)c(N)c(c2)C(C)C)cc(C(C)C)c1N
inchi:
InChI=1S/C25H38N2/c1-14(2)20-10-18(11-21(15(3)4)24(20)26)9-19-12-22(16(5)6)25(27)23(13-19)17(7)8/h10-17H,9,26-27H2,1-8H3


name: Balaglitazone
cas: 199113-98-9
dtxsid: DTXSID30870213
formula: C20H17N3O4S
inchikey: IETKPTYAGKZLKY-INIZCTEOSA-N
norman_susdat_id: NS00068465
smiles: Cn1c(COc2ccc(C[C@@H]3SC(=O)NC3=O)cc2)nc2ccccc2c1=O
inchi:
InChI=1S/C20H17N3O4S/c1-23-17(21-15-5-3-2-4-14(15)19(23)25)11-27-13-8-6-12(7-9-13)10-16-18(24)22-20(26)28-16/h2-9,16H,10-11H2,1H3,(H,22,24,26)/t16-/m0/s1


cas: 199119-58-9
dtxsid: DTXSID8040222
inchikey: MVGZWOZIRLNFJT-UHFFFAOYSA-M
norman_susdat_id: NS00076484
smiles: COc1cc(nc(n1)NC(=O)N=S(=O)(c1c(cccn1)OCC(F)(F)F)[O-])OC
name:
sodium (4,6-dimethoxypyrimidin-2-yl)carbamoyl-[[3-(2,2,2-trifluoroethoxy)-2-pyridyl]sulfonyl]azanide

inchi:
InChI=1S/C14H14F3N5O6S/c1-26-9-6-10(27-2)20-12(19-9)21-13(23)22-29(24,25)11-8(4-3-5-18-11)28-7-14(15,16)17/h3-6H,7H2,1-2H3,(H2,19,20,21,22,23,24,25)/p-1


name: Enniatin B1
cas: 19914-20-6
chemspiderid: 9437321
dtxsid: DTXSID70891861
formula: C34H59N3O9
inchikey: UQCSETXJXJTMKO-UMURLBKASA-N
norman_susdat_id: NS00094906
pubchem_cid: 11262300
inchi:
InChI=1S/C34H59N3O9/c1-16-22(12)25-34(43)46-27(20(8)9)30(39)36(14)23(17(2)3)32(41)44-26(19(6)7)29(38)35(13)24(18(4)5)33(42)45-28(21(10)11)31(40)37(25)15/h17-28H,16H2,1-15H3/t22-,23-,24-,25-,26+,27+,28+/m0/s1

smiles:
CC[C@H](C)[C@H]1C(=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)N1C)C(C)C)C(C)C)C)C(C)C)C(C)C)C)C(C)C


name: 6-O-Benzylguanine
cas: 19916-73-5
dtxsid: DTXSID20173700
formula: C12H11N5O
inchikey: KRWMERLEINMZFT-UHFFFAOYSA-N
norman_susdat_id: NS00069977
pubchem_cid: 4578
smiles: Nc1nc(OCc2ccccc2)c2nc[nH]c2n1
inchi:
InChI=1S/C12H11N5O/c13-12-16-10-9(14-7-15-10)11(17-12)18-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H3,13,14,15,16,17)


name: Bis(decyloxy)phosphanolate
cas: 19931-58-9
dtxsid: DTXSID00622706
formula: C20H42O3P
inchikey: POWRQOUEUWZUNQ-UHFFFAOYSA-N
norman_susdat_id: NS00096312
smiles: CCCCCCCCCCOP([O-])OCCCCCCCCCC
inchi:
InChI=1S/C20H42O3P/c1-3-5-7-9-11-13-15-17-19-22-24(21)23-20-18-16-14-12-10-8-6-4-2/h3-20H2,1-2H3/q-1


name: Peroxide, [1,3,5-benzenetriyltris(1-methylethylidene)]tris[(1,1-dimethylethyl)
cas: 19931-81-8
chemspiderid: 79670
dtxsid: DTXSID4066545
formula: C27H48O6
inchikey: WKKRYWQLVOISAU-UHFFFAOYSA-N
norman_susdat_id: NS00026482
pubchem_cid: 88311
smiles: CC(C)(C)OOC(C)(C)c1cc(cc(c1)C(C)(C)OOC(C)(C)C)C(C)(C)OOC(C)(C)C
inchi:
InChI=1S/C27H48O6/c1-22(2,3)28-31-25(10,11)19-16-20(26(12,13)32-29-23(4,5)6)18-21(17-19)27(14,15)33-30-24(7,8)9/h16-18H,1-15H3


name: Bnp-166
cas: 199331-40-3
chebiid: CHEBI:135783
dtxsid: DTXSID90870214
formula: C24H30Cl2O6
inchikey: QAIOVDNCIZSSSF-RFAJLIJZSA-N
norman_susdat_id: NS00069709
pubchem_cid: 9935073
smiles: CCOC(=O)[C@@]1(OC(=O)C(Cl)Cl)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C
inchi:
InChI=1S/C24H30Cl2O6/c1-4-31-21(30)24(32-20(29)19(25)26)10-8-16-15-6-5-13-11-14(27)7-9-22(13,2)18(15)17(28)12-23(16,24)3/h7,9,11,15-19,28H,4-6,8,10,12H2,1-3H3/t15-,16-,17-,18+,22-,23-,24-/m0/s1


cas: 19941-28-7
dtxsid: DTXSID30885105
formula: C21H36O2
inchikey: FJHHBOWEISXQJX-UHFFFAOYSA-N
norman_susdat_id: NS00048705
pubchem_cid: 89248
smiles: O=C(OC)C1(C)CCCC2(C)C3CCC(CC3CCC12)C(C)C
name:
Methyl [1R-(1a,4aß,4ba,7ß,8aß,10aa)]-tetradecahydro-7-isopropyl-1,4a-dimethylphenanthren-1-carboxylate

inchi:
InChI=1/C21H36O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h14-18H,6-13H2,1-5H3


name: 8:2 Fluorotelomer methacrylate
cas: 1996-88-9
chemspiderid: 141129
dtxsid: DTXSID8062101
formula: C14H9F17O2
inchikey: HBZFBSFGXQBQTB-UHFFFAOYSA-N
norman_susdat_id: NS00009645
pubchem_cid: 160606
smiles: CC(=C)C(=O)OCCC(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/C14H9F17O2/c1-5(2)6(32)33-4-3-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1,3-4H2,2H3


name: 9-bromo-6a-fluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-acetate
cas: 1997-73-5
dtxsid: DTXSID50941878
formula: C24H30BrFO6
inchikey: QAEVJNCCRJTPEE-OSNGSNEUSA-N
norman_susdat_id: NS00044974
pubchem_cid: 102196
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(O)(C(=O)COC(=O)C)C4(C)CC(O)C32Br)C
inchi:
InChI=1/C24H30BrFO6/c1-12-7-15-16-9-18(26)17-8-14(28)5-6-21(17,3)23(16,25)19(29)10-22(15,4)24(12,31)20(30)11-32-13(2)27/h5-6,8,12,15-16,18-19,29,31H,7,9-11H2,1-4H3


name: 1-[2-(dimethylamino)-3-(4-hydroxyphenyl)propyl]-3-[1-(thiophen-3-yl)propan-2-yl]urea
cas: 1997387-43-5
formula: C19H27N3O2S
inchikey: MEDBIJOVZJEMBI-YOEHRIQHSA-N
norman_susdat_id: NS00073764
pubchem_cid: 121596705
smiles: C[C@@H](Cc1ccsc1)NC(=O)NC[C@H](Cc1ccc(O)cc1)N(C)C
inchi:
InChI=1S/C19H27N3O2S/c1-14(10-16-8-9-25-13-16)21-19(24)20-12-17(22(2)3)11-15-4-6-18(23)7-5-15/h4-9,13-14,17,23H,10-12H2,1-3H3,(H2,20,21,24)/t14-,17-/m0/s1


cas: 199739-10-1
chebiid: CHEBI:83810
chemspiderid: 30791859
dtxsid: DTXSID70870217
formula: C39H57F1N4O4
inchikey: VOMKSBFLAZZBOW-UUWRZZSWSA-N
norman_susdat_id: NS00010616
pubchem_cid: 23724979
smiles: CCCCCCCCCCCCCCCC(=O)O[C@@H]1CCCn2c1nc(C)c(CCN1CCC(CC1)c1noc3cc(F)ccc13)c2=O
name:
3-{2-[4-(6-Fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl}-2-methyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]pyrimidin-9-yl hexadecanoate

inchi:
InChI=1S/C39H57FN4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-36(45)47-34-17-16-24-44-38(34)41-29(2)32(39(44)46)23-27-43-25-21-30(22-26-43)37-33-20-19-31(40)28-35(33)48-42-37/h19-20,28,30,34H,3-18,21-27H2,1-2H3/t34-/m1/s1


name: Elocalcitol
cas: 199798-84-0
formula: C29H43FO2
inchikey: LRLWXBHFPGSUOX-GJQYOBCGSA-N
norman_susdat_id: NS00069926
pubchem_cid: 11396600
smiles: C=C1/C(=CC=C2/CCC[C@]3(C)C([C@@H](C)C/C=C/C(O)(CC)CC)=CC[C@@H]23)C[C@@H](O)C[C@@H]1F
inchi:
InChI=1S/C29H43FO2/c1-6-29(32,7-2)17-8-10-20(3)25-14-15-26-22(11-9-16-28(25,26)5)12-13-23-18-24(31)19-27(30)21(23)4/h8,12-14,17,20,24,26-27,31-32H,4,6-7,9-11,15-16,18-19H2,1-3,5H3/b17-8+,22-12+,23-13-/t20-,24+,26-,27-,28+/m0/s1


name: Cloniprazepam
cas: 1998158-84-1
dtxsid: DTXSID60893511
formula: C19H16ClN3O3
inchikey: CCSYKGYLSFXNTA-UHFFFAOYSA-N
norman_susdat_id: NS00068006
smiles: [O-][N+](=O)C1=CC=C2N(CC3CC3)C(=O)CN=C(C3=CC=CC=C3Cl)C2=C1
inchi:
InChI=1S/C19H16ClN3O3/c20-16-4-2-1-3-14(16)19-15-9-13(23(25)26)7-8-17(15)22(11-12-5-6-12)18(24)10-21-19/h1-4,7-9,12H,5-6,10-11H2


name: N-Arachidonoyl dopamine
cas: 199875-69-9
chebiid: CHEBI:31231
dtxsid: DTXSID70415208
formula: C28H41NO3
inchikey: MVVPIAAVGAWJNQ-DOFZRALJSA-N
norman_susdat_id: NS00097732
smiles: CCCCC/C=CC/C=CC/C=CC/C=CCCCC(=O)NCCC1=CC(=C(C=C1)O)O
inchi:
InChI=1S/C28H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-22-25-20-21-26(30)27(31)24-25/h6-7,9-10,12-13,15-16,20-21,24,30-31H,2-5,8,11,14,17-19,22-23H2,1H3,(H,29,32)/b7-6-,10-9-,13-12-,16-15-


name: 4'-Deoxy-4'-Acetylyamino-Pyridoxal-5'-Phosphate
cas: 19988-33-1
dtxsid: DTXSID90332261
formula: C10H15N2O8P
inchikey: QYKRUCBLHROXCK-UHFFFAOYSA-N
norman_susdat_id: NS00068920
pubchem_cid: 447742
smiles: Cc1ncc(COP(=O)(O)O)c(CNOCC(=O)O)c1O
inchi:
InChI=1S/C10H15N2O8P/c1-6-10(15)8(3-12-19-5-9(13)14)7(2-11-6)4-20-21(16,17)18/h2,12,15H,3-5H2,1H3,(H,13,14)(H2,16,17,18)


name: N-DL-alanyl-DL-3-phenylalanine
cas: 1999-45-7
chebiid: CHEBI:137013
dtxsid: DTXSID40941963
formula: C12H16N2O3
inchikey: OMNVYXHOSHNURL-UHFFFAOYSA-N
norman_susdat_id: NS00045642
pubchem_cid: NA
smiles: O=C(O)C(NC(=O)C(N)C)CC=1C=CC=CC1
inchi:
InChI=1/C12H16N2O3/c1-8(13)11(15)14-10(12(16)17)7-9-5-3-2-4-6-9/h2-6,8,10H,7,13H2,1H3,(H,14,15)(H,16,17)


name: Butixirate
cas: 19992-80-4
formula: C16H16O2.C12H17N
inchikey: KWFFVBCJCQQAIV-CLVGDUISSA-N
norman_susdat_id: NS00083263
smiles: CCC(C(=O)O)c1ccc(cc1)c2ccccc2.N[C@@H]3CC[C@H](CC3)c4ccccc4
inchi:
InChI=1/C16H16O2.C12H17N/c1-2-15(16(17)18)14-10-8-13(9-11-14)12-6-4-3-5-7-12;13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h3-11,15H,2H2,1H3,(H,17,18);1-5,11-12H,6-9,13H2


cas: 200013-65-6
dtxsid: DTXSID70108845
norman_susdat_id: NS00111204
name:
Diphosphoric acid, polymers with ethoxylated reduced Me esters of reduced polymd. oxidized tetrafluoroethylene


name: 1,2-diphenyl-1,2-di(o-tolyl)ethane-1,2-diol
cas: 20002-32-8
dtxsid: DTXSID50941979
formula: C28H26O2
inchikey: KAURRWFQPSCBHO-UHFFFAOYSA-N
norman_susdat_id: NS00048753
pubchem_cid: 89260
smiles: OC(C=1C=CC=CC1)(C=2C=CC=CC2C)C(O)(C=3C=CC=CC3)C=4C=CC=CC4C
inchi:
InChI=1/C28H26O2/c1-21-13-9-11-19-25(21)27(29,23-15-5-3-6-16-23)28(30,24-17-7-4-8-18-24)26-20-12-10-14-22(26)2/h3-20,29-30H,1-2H3


name: Dodecyl 4,4-dibutyl-7-oxo-8-oxa-3,5-dithia-4-stannaicosanoate
cas: 20004-12-0
dtxsid: DTXSID4066549
formula: C36H72O4S2Sn
inchikey: QWXSPIOOSOTTAU-UHFFFAOYSA-L
norman_susdat_id: NS00048754
pubchem_cid: NA
smiles: O=C(OCCCCCCCCCCCC)CS[Sn](SCC(=O)OCCCCCCCCCCCC)(CCCC)CCCC
inchi:
InChI=1/2C14H28O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-16-14(15)13-17;2*1-3-4-2;/h2*17H,2-13H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC36H72O4S2Sn/c1-5-9-13-15-17-19-21-23-25-27-29-39-35(37)33-41-43(31-11-7-3,32-12-8-4)42-34-36(38)40-30-28-26-24-22-20-18-16-14-10-6-2/h5-34H2,1-4H3


name: Cyclopenin
cas: 20007-87-8
chemspiderid: 66209
dtxsid: DTXSID00893999
formula: C17H14N2O3
inchikey: APLKWZASYUZSBL-XPCCGILXSA-N
norman_susdat_id: NS00094957
pubchem_cid: 271117
smiles: CN1C(=O)C2=CC=CC=C2NC(=O)C13[C@H](O3)C4=CC=CC=C4
inchi:
InChI=1S/C17H14N2O3/c1-19-15(20)12-9-5-6-10-13(12)18-16(21)17(19)14(22-17)11-7-3-2-4-8-11/h2-10,14H,1H3,(H,18,21)/t14-,17?/m1/s1


name: Tetraphenylphosphonium chloride
cas: 2001-45-8
formula: C24H20P.Cl
inchikey: WAGFXJQAIZNSEQ-UHFFFAOYSA-M
norman_susdat_id: NS00081232
smiles: [Cl-].c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4
inchi:
InChI=1/C24H20P.ClH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/q+1;/p-1


name: Diponium bromide
cas: 2001-81-2
chebiid: CHEBI:31510
dtxsid: DTXSID2048797
formula: C20H38NO2
inchikey: ADZXDFALMZGPTN-UHFFFAOYSA-M
norman_susdat_id: NS00046241
pubchem_cid: 71809
smiles: [Br-].O=C(OCC[N+](CC)(CC)CC)C(C1CCCC1)C2CCCC2
inchi:
InChI=1/C20H38NO2.BrH/c1-4-21(5-2,6-3)15-16-23-20(22)19(17-11-7-8-12-17)18-13-9-10-14-18;/h17-19H,4-16H2,1-3H3;1H/q+1;/p-1


name: Valinomycin
cas: 2001-95-8
dtxsid: DTXSID9041150
formula: C54H90N6O18
inchikey: MBXQOFMOLUBOIN-UHFFFAOYSA-N
norman_susdat_id: NS00046242
pubchem_cid: 21249568
inchi:
InChI=1/C54H90N6O18/c1-22(2)34-45(63)58-35(23(3)4)50(68)73-31(19)43(61)56-38(26(9)10)53(71)77-41(29(15)16)47(65)59-36(24(5)6)51(69)74-32(20)44(62)57-39(27(11)12)54(72)78-42(30(17)18)48(66)60-37(25(7)8)52(70)75-33(21)49(67)76-40(28(13)14)46(64)55-34/h22-42H,1-21H3,(H,55,64)(H,56,61)(H,57,62)(H,58,63)(H,59,65)(H,60,66)

smiles:
O=C1OC(C(=O)NC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC1C)C(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C(C)C)C)C(C)C)C(C)C)C(C)C


name: 3-(Perfluorooctyl)propyl iodide
cas: 200112-75-0
chemspiderid: 9395
dtxsid: DTXSID40457135
formula: C11H6F17I1
inchikey: AXUBYTAXJHIPJO-UHFFFAOYSA-N
norman_susdat_id: NS00018841
pubchem_cid: 11157582
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)CCCI
inchi:
InChI=1S/C11H6F17I/c12-4(13,2-1-3-29)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)28/h1-3H2


name: 1,2,4-Trifluoro-3,5-bis(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-nitrobenzene
cas: 20017-51-0
dtxsid: DTXSID20896407
formula: C12F17NO2
inchikey: PVICYOGEJBAIKN-UHFFFAOYSA-N
norman_susdat_id: NS00109763
smiles: [O-][N+](=O)c1c(F)c(F)c(c(F)c1C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C12F17NO2/c13-3-1(7(16,9(18,19)20)10(21,22)23)4(14)5(15)6(30(31)32)2(3)8(17,11(24,25)26)12(27,28)29


name: Flumethasone pivalate
cas: 2002-29-1
chebiid: CHEBI:31620
chemspiderid: 392021
dtxsid: DTXSID7049005
formula: C27H36F2O6
inchikey: JWRMHDSINXPDHB-OJAGFMMFSA-N
norman_susdat_id: NS00009743
pubchem_cid: 443980
inchi:
InChI=1S/C27H36F2O6/c1-14-9-16-17-11-19(28)18-10-15(30)7-8-24(18,5)26(17,29)20(31)12-25(16,6)27(14,34)21(32)13-35-22(33)23(2,3)4/h7-8,10,14,16-17,19-20,31,34H,9,11-13H2,1-6H3/t14-,16+,17+,19+,20+,24+,25+,26+,27+/m1/s1

smiles:
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)C(C)(C)C


name: Oxytocin C-terminal tripeptide
cas: 2002-44-0
chebiid: CHEBI:168693
chemspiderid: 83871
dtxsid: DTXSID20173841
formula: C13H24N4O3
inchikey: NOOJLZTTWSNHOX-UWVGGRQHSA-N
norman_susdat_id: NS00026500
pubchem_cid: 92910
smiles: CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(=O)N
inchi:
InChI=1S/C13H24N4O3/c1-8(2)6-10(12(19)16-7-11(14)18)17-13(20)9-4-3-5-15-9/h8-10,15H,3-7H2,1-2H3,(H2,14,18)(H,16,19)(H,17,20)/t9-,10-/m0/s1


cas: 20025-74-5
dtxsid: DTXSID00889675
formula: C26H16Cl3N7O9S3
inchikey: FRBAGNOAEDOWSE-UHFFFAOYSA-K
norman_susdat_id: NS00047574
pubchem_cid: 88334
name:
Trisodium 3-[[4-[[4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]azo]phenyl]azo]naphthalene-1,5,7-trisulphonate

inchi:
InChI=1/C26H16Cl3N7O9S3.3Na/c27-23-24(28)31-26(29)32-25(23)30-13-1-3-14(4-2-13)33-34-15-5-7-16(8-6-15)35-36-17-9-19-20(21(10-17)47(40,41)42)11-18(46(37,38)39)12-22(19)48(43,44)45;;;/h1-12H,(H,30,31,32)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=2C(=CC(N=NC3=CC=C(N=NC4=CC=C(C=C4)NC=5N=C(Cl)N=C(Cl)C5Cl)C=C3)=CC2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-]


cas: 200295-54-1
dtxsid: DTXSID90882837
norman_susdat_id: NS00112018
name:
2-Propenoic acid, 2-methyl-, 2-ethylhexyl ester, polymers with N-(hydroxymethyl)-2-methyl-2-propenamide and .gamma.-.omega.-perfluoro-C10-16-alkyl acrylate


cas: 200295-55-2
dtxsid: DTXSID60882763
norman_susdat_id: NS00110977
name:
2-Propenoic acid, 2-methyl-, butyl ester, polymers with 2-ethylhexyl methacrylate, N-(hydroxymethyl)-2-methyl-2-propenamide and .gamma.-.omega.-perfluoro-C10-14-alkyl methacrylate


name: 4-chloro-N-(5-hydroxy-1,5-dimethylhexyl)-3-sulphamoylbenzamide
cas: 20036-08-2
dtxsid: DTXSID00942037
formula: C15H23ClN2O4S
inchikey: FIUYBIDMMLCVBY-UHFFFAOYSA-N
norman_susdat_id: NS00047575
pubchem_cid: 89265
smiles: O=C(NC(C)CCCC(O)(C)C)C1=CC=C(Cl)C(=C1)S(=O)(=O)N
inchi:
InChI=1/C15H23ClN2O4S/c1-10(5-4-8-15(2,3)20)18-14(19)11-6-7-12(16)13(9-11)23(17,21)22/h6-7,9-10,20H,4-5,8H2,1-3H3,(H,18,19)(H2,17,21,22)


name: Pyridinium dichromate
cas: 20039-37-6
chebiid: CHEBI:176796
formula: C5H5N.1/2Cr2H2O7
inchikey: LMYWWPCAXXPJFF-UHFFFAOYSA-P
norman_susdat_id: NS00082243
smiles: [O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].c1cc[nH+]cc1.c2cc[nH+]cc2
inchi:
InChI=1/2C5H5N.2Cr.7O/c2*1-2-4-6-5-3-1;;;;;;;;;/h2*1-5H;;;;;;;;;/q;;;;;;;;;2*-1/p+2/r2C5H5N.Cr2O7/c2*1-2-4-6-5-3-1;3-1(4,5)9-2(6,7)8/h2*1-5H;/q;;-2/p+2


name: Angustmycin A
cas: 2004-04-8
chemspiderid: 108484
dtxsid: DTXSID50173859
formula: C11H13N5O4
inchikey: UZSSGAOAYPICBZ-SOCHQFKDSA-N
norman_susdat_id: NS00011708
pubchem_cid: 121578
smiles: C=C1[C@H]([C@H]([C@](O1)(CO)n2cnc3c2ncnc3N)O)O
inchi:
InChI=1S/C11H13N5O4/c1-5-7(18)8(19)11(2-17,20-5)16-4-15-6-9(12)13-3-14-10(6)16/h3-4,7-8,17-19H,1-2H2,(H2,12,13,14)/t7-,8-,11-/m1/s1


name: 6-chloro-9-ß-D-ribofuranosyl-9H-purin-2-amine
cas: 2004-07-1
dtxsid: DTXSID90942041
formula: C10H12ClN5O4
inchikey: TXWHPSZYRUHEGT-UUOKFMHZSA-N
norman_susdat_id: NS00045737
pubchem_cid: 102197
smiles: ClC1=NC(=NC2=C1N=CN2C3OC(CO)C(O)C3O)N
inchi:
InChI=1/C10H12ClN5O4/c11-7-4-8(15-10(12)14-7)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)


name: 1-Heptacosanol
cas: 2004-39-9
chebiid: CHEBI:133981
chemspiderid: 67388
dtxsid: DTXSID20173861
formula: C27H56O1
inchikey: ULCZGKYHRYJXAU-UHFFFAOYSA-N
norman_susdat_id: NS00026507
pubchem_cid: 74822
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCO
inchi:
InChI=1S/C27H56O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28/h28H,2-27H2,1H3


cas: 200413-68-9
dtxsid: DTXSID90882756
norman_susdat_id: NS00112010
name:
2-Propenoic acid, 2-methyl-, methyl ester, polymer with 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-2-pronenoate and methyloxirane polymer with oxiranemono-2-propenoate


name: 1-Hydroxy-N-octadecylnaphthalene-2-carboxamide
cas: 20043-92-9
chemspiderid: 79697
dtxsid: DTXSID00173864
formula: C29H45N1O2
inchikey: BKWIMUORHSANHY-UHFFFAOYSA-N
norman_susdat_id: NS00026506
pubchem_cid: 88341
smiles: CCCCCCCCCCCCCCCCCCNC(=O)c1c(O)c2ccccc2cc1
inchi:
InChI=1S/C29H45NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-30-29(32)27-23-22-25-20-17-18-21-26(25)28(27)31/h17-18,20-23,31H,2-16,19,24H2,1H3,(H,30,32)


cas: 20045-09-4
dtxsid: DTXSID40942056
formula: C31H48O9
inchikey: VGZQSTTXBJBTFN-UHFFFAOYSA-N
norman_susdat_id: NS00048214
pubchem_cid: 89266
smiles: O=C1OCC(=C1)C2CCC3(O)C4CCC5(O)CC(OC6OC(C)C(OC)C(OC)C6)CCC5(CO)C4CCC23C
name:
(3ß,5ß)-3-[(2,6-dideoxy-3,4-di-O-methyl-ß-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxycard-20(22)-enolide

inchi:
InChI=1/C31H48O9/c1-18-27(37-4)24(36-3)14-26(39-18)40-20-5-10-29(17-32)22-6-9-28(2)21(19-13-25(33)38-16-19)8-12-31(28,35)23(22)7-11-30(29,34)15-20/h13,18,20-24,26-27,32,34-35H,5-12,14-17H2,1-4H3


cas: 20045-26-5
dtxsid: DTXSID00942057
formula: C32H48O9
inchikey: ODZGQIFPCJZJHC-UHFFFAOYSA-N
norman_susdat_id: NS00048215
pubchem_cid: NA
smiles: O=C1OCC(=C1)C2CCC3(O)C4CCC5(O)CC(OC6OC(C)C7OC(OC7C6)(C)C)CCC5(CO)C4CCC23C
name:
3ß-[(2,6-dideoxy-3,4-O-isopropylidene-ß-D-ribo-hexopyranosyl)oxy]-5,14,19-trihydroxy-5ß-card-20(22)-enolide

inchi:
InChI=1/C32H48O9/c1-18-27-24(40-28(2,3)41-27)14-26(38-18)39-20-5-10-30(17-33)22-6-9-29(4)21(19-13-25(34)37-16-19)8-12-32(29,36)23(22)7-11-31(30,35)15-20/h13,18,20-24,26-27,33,35-36H,5-12,14-17H2,1-4H3


name: 1-ethyl-2-methylquinolinium toluene-p-sulphonate
cas: 20048-92-4
formula: C12H14N.C7H7O3S
inchikey: WUMNSSKPKRSZJL-UHFFFAOYSA-M
norman_susdat_id: NS00083052
smiles: CC[n+]1c(C)ccc2ccccc12.Cc3ccc(cc3)S(=O)(=O)[O-]
inchi:
InChI=1/C12H14N.C7H8O3S/c1-3-13-10(2)8-9-11-6-4-5-7-12(11)13;1-6-2-4-7(5-3-6)11(8,9)10/h4-9H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: N''-[6-(4-Chlorophenoxy)hexyl]-N-cyano-N'-pyridin-4(1H)-ylideneguanidine
cas: 200484-11-3
chebiid: CHEBI:95016
dtxsid: DTXSID20942059
formula: C19H22ClN5O
inchikey: BOIPLTNGIAPDBY-UHFFFAOYSA-N
norman_susdat_id: NS00070832
pubchem_cid: 148198
smiles: N#CN/C(=NCCCCCCOc1ccc(Cl)cc1)Nc1ccncc1
inchi:
InChI=1S/C19H22ClN5O/c20-16-5-7-18(8-6-16)26-14-4-2-1-3-11-23-19(24-15-21)25-17-9-12-22-13-10-17/h5-10,12-13H,1-4,11,14H2,(H2,22,23,24,25)


name: (+/-) tetrahydrofurfuryl (R)-2-[4-(6-chloroquinoxalin-2-yloxy)phenyloxy]propionate
cas: 200509-41-7
chebiid: CHEBI:81944
chemspiderid: 11677262
formula: C22H21Cl1N2O5
inchikey: BBKDWPHJZANJGB-IKJXHCRLSA-N
norman_susdat_id: NS00004183
pubchem_cid: 14601092
smiles: C[C@@H](Oc1ccc(Oc2cnc3cc(Cl)ccc3n2)cc1)C(=O)OCC1CCCO1
inchi:
InChI=1S/C22H21ClN2O5/c1-14(22(26)28-13-18-3-2-10-27-18)29-16-5-7-17(8-6-16)30-21-12-24-20-11-15(23)4-9-19(20)25-21/h4-9,11-12,14,18H,2-3,10,13H2,1H3/t14-,18?/m1/s1


name: 4alpha,5-Epoxy-5alpha-androst-2-eno(2,3-d)isoxazol-17beta-ol
cas: 20051-76-7
chemspiderid: 9834668
dtxsid: DTXSID40173868
formula: C20H27N1O3
inchikey: SFLURVMKFVJRKJ-CXANFOAXSA-N
norman_susdat_id: NS00026509
pubchem_cid: 11659933
smiles: CC12CCC3C(CCC45OC4c4c(CC35C)cno4)C1CCC2O
inchi:
InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(23-20)16-11(10-21-24-16)9-19(14,20)2/h10,12-15,17,22H,3-9H2,1-2H3/t12-,13-,14+,15-,17-,18+,19+,20-/m0/s1


cas: 200513-42-4
dtxsid: DTXSID30108846
norman_susdat_id: NS00109842
name:
2-Propenoic acid, 2-methyl-, polymer with butyl 2-methyl-2-propenoate, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl 2-propenoate, 2-hydroxyethyl 2-methyl-2-propenoate and methyl 2-methyl-2-propenoate


name: 5-(diethylamino)-2-[(2-hydroxy-5-nitrophenyl)azo]phenol
cas: 20059-24-9
formula: C16H19N4O4
inchikey: MGTPWASODZUAAB-UHFFFAOYSA-N
norman_susdat_id: NS00046835
pubchem_cid: 135608350
smiles: O=[N+]([O-])C1=CC=C(O)C(N=NC2=CC=C(C=C2O)N(CC)CC)=C1
inchi:
InChI=1/C16H18N4O4/c1-3-19(4-2)11-5-7-13(16(22)10-11)17-18-14-9-12(20(23)24)6-8-15(14)21/h5-10,21-22H,3-4H2,1-2H3


name: 2,2',4,4',6,6'-hexanitrostilbene
cas: 20062-22-0
dtxsid: DTXSID10864918
formula: C14H12N6O12
inchikey: YSIBQULRFXITSW-OWOJBTEDSA-N
norman_susdat_id: NS00046852
pubchem_cid: 5462985
inchi:
InChI=1/C14H6N6O12/c21-15(22)7-3-11(17(25)26)9(12(4-7)18(27)28)1-2-10-13(19(29)30)5-8(16(23)24)6-14(10)20(31)32/h1-6H

smiles:
O=[N+]([O-])C=1C=C(C(C=CC=2C(=CC(=CC2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])=C(C1)[N+](=O)[O-])[N+](=O)[O-]


name: [(2-{3-[2-(carbamimidoylsulfanyl)ethyl]phenyl}ethyl)sulfanyl]methanimidamide
cas: 200716-66-1
formula: C12H18N4S2
inchikey: YEUSLPIIQGZHQB-UHFFFAOYSA-N
norman_susdat_id: NS00069238
pubchem_cid: 1331
smiles: N=C(N)SCCc1cccc(CCSC(=N)N)c1
inchi:
InChI=1S/C12H18N4S2/c13-11(14)17-6-4-9-2-1-3-10(8-9)5-7-18-12(15)16/h1-3,8H,4-7H2,(H3,13,14)(H3,15,16)


name: Phenol, 2,6-bis[[bis(2-hydroxyethyl)amino]methyl]-4-nonyl-
cas: 20073-51-2
chemspiderid: 79708
dtxsid: DTXSID3066554
formula: C25H46N2O5
inchikey: HUFXECXTFFUYQG-UHFFFAOYSA-N
norman_susdat_id: NS00019882
pubchem_cid: 88354
smiles: CCCCCCCCCc1cc(CN(CCO)CCO)c(O)c(CN(CCO)CCO)c1
inchi:
InChI=1S/C25H46N2O5/c1-2-3-4-5-6-7-8-9-22-18-23(20-26(10-14-28)11-15-29)25(32)24(19-22)21-27(12-16-30)13-17-31/h18-19,28-32H,2-17,20-21H2,1H3


name: a-[bis(2-hydroxyethyl)amino]-4-nonyl-o-cresol
cas: 20073-52-3
dtxsid: DTXSID20942099
formula: C20H35NO3
inchikey: SRFJBZVWGULNFE-UHFFFAOYSA-N
norman_susdat_id: NS00047577
pubchem_cid: 88355
smiles: OC1=CC=C(C=C1CN(CCO)CCO)CCCCCCCCC
inchi:
InChI=1/C20H35NO3/c1-2-3-4-5-6-7-8-9-18-10-11-20(24)19(16-18)17-21(12-14-22)13-15-23/h10-11,16,22-24H,2-9,12-15,17H2,1H3


name: Sodium 7-amino-4-hydroxynaphthalene-2-sulphonate
cas: 20074-69-5
formula: C10H9NO4S.Na
inchikey: FNLGVABBDVJJOP-UHFFFAOYSA-M
norman_susdat_id: NS00082255
smiles: [Na+].Nc1ccc2c(O)cc(cc2c1)S(=O)(=O)[O-]
inchi:
InChI=1/C10H9NO4S.Na/c11-7-1-2-9-6(3-7)4-8(5-10(9)12)16(13,14)15;/h1-5,12H,11H2,(H,13,14,15);/q;+1/p-1


name: Triethylammonium (2,4,5-trichlorophenoxy)acetate
cas: 2008-46-0
formula: C8H5Cl3O3.C6H15N
inchikey: QZKXBNCXPQMZLF-UHFFFAOYSA-N
norman_susdat_id: NS00081260
smiles: CC[NH+](CC)CC.[O-]C(=O)COc1cc(Cl)c(Cl)cc1Cl
inchi:
InChI=1/C8H5Cl3O3.C6H15N/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13;1-4-7(5-2)6-3/h1-2H,3H2,(H,12,13);4-6H2,1-3H3


name: Ethyl 4-[[4-(ethoxycarbonyl)phenyl]azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate
cas: 2008-84-6
formula: C21H20N4O5
inchikey: FKFWUHISCWCMPI-UHFFFAOYSA-N
norman_susdat_id: NS00046295
pubchem_cid: 102732
smiles: O=C(OCC)C1=CC=C(N=NC2C(=O)N(N=C2C(=O)OCC)C=3C=CC=CC3)C=C1
inchi:
InChI=1/C21H20N4O5/c1-3-29-20(27)14-10-12-15(13-11-14)22-23-17-18(21(28)30-4-2)24-25(19(17)26)16-8-6-5-7-9-16/h5-13,17H,3-4H2,1-2H3


name: Ethyl 4-[(2,5-dichlorophenyl)azo]-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazole-3-carboxylate
cas: 2008-88-0
dtxsid: DTXSID40883536
formula: C18H14Cl2N4O3
inchikey: WHQOVNOGONNMJB-UHFFFAOYSA-N
norman_susdat_id: NS00045038
pubchem_cid: 102733
smiles: O=C(OCC)C1=NN(C(=O)C1N=NC2=CC(Cl)=CC=C2Cl)C=3C=CC=CC3
inchi:
InChI=1/C18H14Cl2N4O3/c1-2-27-18(26)16-15(22-21-14-10-11(19)8-9-13(14)20)17(25)24(23-16)12-6-4-3-5-7-12/h3-10,15H,2H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Henicosafluoroheptadecane
cas: 200817-54-5
dtxsid: DTXSID00895296
formula: C17H15F21
inchikey: YIQQEZHSYXXRHO-UHFFFAOYSA-N
norman_susdat_id: NS00108959
smiles: CCCCCCCC(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
inchi:
InChI=1S/C17H15F21/c1-2-3-4-5-6-7-8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)15(32,33)16(34,35)17(36,37)38/h2-7H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Henicosafluorotricosane
cas: 200817-55-6
dtxsid: DTXSID70895364
formula: C23H27F21
inchikey: URXIWFCBPQLZEP-UHFFFAOYSA-N
norman_susdat_id: NS00111396
smiles: CCCCCCCCCCCCCC(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
inchi:
InChI=1S/C23H27F21/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)20(36,37)21(38,39)22(40,41)23(42,43)44/h2-13H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Henicosafluorotetracosane
cas: 200817-56-7
dtxsid: DTXSID00895357
formula: C24H29F21
inchikey: GQYLDQKHNZGRQD-UHFFFAOYSA-N
norman_susdat_id: NS00108965
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)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C24H29F21/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)21(37,38)22(39,40)23(41,42)24(43,44)45/h2-14H2,1H3


name: 4,4''-Bis((perfluoropropyl)-1,3-dioxopropyl)-o-terphenyl-4'-sulfonyl chloride
cas: 200862-70-0
dtxsid: DTXSID90893367
formula: C30H15ClF14O6S
inchikey: SXOYJUDQQHVGHW-UHFFFAOYSA-N
norman_susdat_id: NS00112052
inchi:
InChI=1S/C30H15ClF14O6S/c31-52(50,51)18-9-10-19(14-1-5-16(6-2-14)21(46)12-23(48)25(32,33)27(36,37)29(40,41)42)20(11-18)15-3-7-17(8-4-15)22(47)13-24(49)26(34,35)28(38,39)30(43,44)45/h1-11H,12-13H2

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(=O)CC(=O)C1=CC=C(C=C1)C1=C(C=C(C=C1)S(Cl)(=O)=O)C1=CC=C(C=C1)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F


name: Neopterin
cas: 2009-64-5
chemspiderid: 4300
formula: C9H11N5O4
inchikey: BMQYVXCPAOLZOK-XINAWCOVSA-N
norman_susdat_id: NS00014808
pubchem_cid: 448839
smiles: O=C2N=C(/Nc1ncc(nc12)C(O)C(O)CO)N
inchi:
InChI=1S/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)/t4-,6+/m1/s1


name: SB243213A
cas: 200940-23-4
chebiid: CHEBI:8980
chemspiderid: 13112848
formula: C22H19F3N4O2
inchikey: ZETBBVYSBABLHL-UHFFFAOYSA-N
norman_susdat_id: NS00015697
pubchem_cid: 443391
smiles: CC1=C(C=C2C(=C1)CCN2C(=O)NC3=CN=C(C=C3)OC4=C(N=CC=C4)C)C(F)(F)F
inchi:
InChI=1S/C22H19F3N4O2/c1-13-10-15-7-9-29(18(15)11-17(13)22(23,24)25)21(30)28-16-5-6-20(27-12-16)31-19-4-3-8-26-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,28,30)


name: Sodium 4-hydroxy-6-(methylamino)naphthalene-2-sulphonate
cas: 20103-21-3
formula: C11H11NO4S.Na
inchikey: YTSZFECAZXHQIE-UHFFFAOYSA-M
norman_susdat_id: NS00084278
smiles: [Na+].CNc1ccc2cc(cc(O)c2c1)S(=O)(=O)[O-]
inchi:
InChI=1/C11H11NO4S.Na/c1-12-8-3-2-7-4-9(17(14,15)16)6-11(13)10(7)5-8;/h2-6,12-13H,1H3,(H,14,15,16);/q;+1/p-1


name: 2-Henicosyl-(5H)-oxazole-4,4-dimethanol
cas: 20103-33-7
chemspiderid: 79721
dtxsid: DTXSID60173926
formula: C26H51N1O3
inchikey: VZYJMLILGOPULB-UHFFFAOYSA-N
norman_susdat_id: NS00026522
pubchem_cid: 88367
smiles: CCCCCCCCCCCCCCCCCCCCCC1=NC(CO)(CO)CO1
inchi:
InChI=1S/C26H51NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-27-26(22-28,23-29)24-30-25/h28-29H,2-24H2,1H3


name: [2-heptadecyl-4,5-dihydro-4-(hydroxymethyl)oxazol-4-yl]methyl stearate
cas: 20103-35-9
dtxsid: DTXSID20885114
formula: C40H77NO4
inchikey: DWWUGXOZBYVGJN-UHFFFAOYSA-N
norman_susdat_id: NS00050623
pubchem_cid: 89271
smiles: O=C(OCC1(N=C(OC1)CCCCCCCCCCCCCCCCC)CO)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C40H77NO4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38-41-40(35-42,36-44-38)37-45-39(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42H,3-37H2,1-2H3


name: 3-{2-[2-(4-Methylpiperidin-1-yl)ethyl]pyrrolidine-1-sulfonyl}phenol
cas: 201038-74-6
chebiid: CHEBI:92426
dtxsid: DTXSID90942127
formula: C18H28N2O3S
inchikey: HWKROQUZSKPIKQ-MRXNPFEDSA-N
norman_susdat_id: NS00069713
pubchem_cid: 6604889
smiles: CC1CCN(CC[C@H]2CCCN2S(=O)(=O)c2cccc(O)c2)CC1
inchi:
InChI=1S/C18H28N2O3S/c1-15-7-11-19(12-8-15)13-9-16-4-3-10-20(16)24(22,23)18-6-2-5-17(21)14-18/h2,5-6,14-16,21H,3-4,7-13H2,1H3/t16-/m1/s1


name: Fusicoccin
cas: 20108-30-9
dtxsid: DTXSID80864920
formula: C36H56O12
inchikey: KXTYBXCEQOANSX-HPVXDZOISA-N
norman_susdat_id: NS00073039
pubchem_cid: 71308204
inchi:
InChI=1S/C36H56O12/c1-10-35(6,7)45-17-26-30(41)33(46-21(5)38)31(42)34(47-26)48-32-28-24(18(2)15-44-20(4)37)13-27(39)36(28,8)14-25-22(16-43-9)11-12-23(25)19(3)29(32)40/h10,14,18-19,22-23,26-27,29-34,39-42H,1,11-13,15-17H2,2-9H3/t18-,19-,22-,23+,26-,27+,29-,30-,31-,32-,33+,34-,36+/m1/s1

smiles:
C=CC(C)(C)OC[C@H]1O[C@H](O[C@@H]2C3=C([C@H](C)COC(C)=O)C[C@H](O)[C@]3(C)C=C3[C@@H](COC)CC[C@H]3[C@@H](C)[C@H]2O)[C@H](O)[C@@H](OC(C)=O)[C@@H]1O


name: 1-Propanol, 2-[2-(benzoyloxy)propoxy]-, 1-benzoate
cas: 20109-39-1
chemspiderid: 80562
dtxsid: DTXSID40864921
formula: C20H22O5
inchikey: LXODQLXKQIJVNK-UHFFFAOYSA-N
norman_susdat_id: NS00021815
pubchem_cid: 89272
smiles: CC(COC(=O)c1ccccc1)OCC(C)OC(=O)c1ccccc1
inchi:
InChI=1S/C20H22O5/c1-15(13-24-19(21)17-9-5-3-6-10-17)23-14-16(2)25-20(22)18-11-7-4-8-12-18/h3-12,15-16H,13-14H2,1-2H3/t15-,16+/m0/s1


name: Nimetazepam
cas: 2011-67-8
chebiid: CHEBI:31912
chemspiderid: 4340
dtxsid: DTXSID6023369
formula: C16H13N3O3
inchikey: GWUSZQUVEVMBPI-UHFFFAOYSA-N
norman_susdat_id: NS00009644
pubchem_cid: 4496
smiles: CN1c2ccc(cc2C(=NCC1=O)c1ccccc1)N(=O)=O
inchi:
InChI=1S/C16H13N3O3/c1-18-14-8-7-12(19(21)22)9-13(14)16(17-10-15(18)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3


name: N-(2-Benzoyl-4-nitrophenyl)-2-bromoacetamide
cas: 2011-70-3
chemspiderid: 2298635
dtxsid: DTXSID80173928
formula: C15H11Br1N2O4
inchikey: USZJZGVAIGKLRF-UHFFFAOYSA-N
norman_susdat_id: NS00026526
pubchem_cid: 3034124
smiles: [O-][N+](=O)c1ccc(NC(=O)CBr)c(c1)C(=O)c1ccccc1
inchi:
InChI=1S/C15H11BrN2O4/c16-9-14(19)17-13-7-6-11(18(21)22)8-12(13)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,19)


name: SR144190
cas: 201152-86-5
chemspiderid: 8091843
formula: C33H38F2N4O3
inchikey: QNLIUVLFRVYNCV-XIFFEERXSA-N
norman_susdat_id: NS00015694
pubchem_cid: 9916195
smiles: CN(C)C(=O)NC1(CCN(CC1)CCC2(CN(CCO2)C(=O)C3=CC=CC=C3)C4=CC(=C(C=C4)F)F)C5=CC=CC=C5
inchi:
InChI=1S/C33H38F2N4O3/c1-37(2)31(41)36-32(26-11-7-4-8-12-26)15-18-38(19-16-32)20-17-33(27-13-14-28(34)29(35)23-27)24-39(21-22-42-33)30(40)25-9-5-3-6-10-25/h3-14,23H,15-22,24H2,1-2H3,(H,36,41)/t33-/m0/s1


name: 3-methyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)cyclopentane-1,1-dicarboxylic Acid
cas: 20116-32-9
dtxsid: DTXSID50379718
formula: C13H13F9O4
inchikey: ZRDCDISSPANBPT-UHFFFAOYSA-N
norman_susdat_id: NS00110535
smiles: CC1CC(CC1CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(C(O)=O)C(O)=O
inchi:
InChI=1S/C13H13F9O4/c1-5-2-9(7(23)24,8(25)26)3-6(5)4-10(14,15)11(16,17)12(18,19)13(20,21)22/h5-6H,2-4H2,1H3,(H,23,24)(H,25,26)


name: Prop-2-en-1-yl pentadecafluorooctanoate
cas: 20120-44-9
dtxsid: DTXSID40895750
formula: C11H5F15O2
inchikey: DNFFZVPOFBBNHH-UHFFFAOYSA-N
norman_susdat_id: NS00110398
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)OCC=C
inchi:
InChI=1S/C11H5F15O2/c1-2-3-28-4(27)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h2H,1,3H2


name: Disodium 6,6'-iminobis[4-hydroxynaphthalene-2-sulphonate]
cas: 20120-48-3
dtxsid: DTXSID10942149
formula: C20H15NO8S2
inchikey: JZPHVWXAYIALON-UHFFFAOYSA-L
norman_susdat_id: NS00051405
pubchem_cid: 44153187
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC(O)=C2C=C(C=CC2=C1)NC=3C=CC4=CC(=CC(O)=C4C3)S(=O)(=O)[O-]
inchi:
InChI=1/C20H15NO8S2.2Na/c22-19-9-15(30(24,25)26)5-11-1-3-13(7-17(11)19)21-14-4-2-12-6-16(31(27,28)29)10-20(23)18(12)8-14;;/h1-10,21-23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2


name: Meclocycline
cas: 2013-58-3
chebiid: CHEBI:135772
chemspiderid: 16735890
dtxsid: DTXSID4048567
formula: C22H21Cl1N2O8
inchikey: GGQJXCQBBONZFX-IWVLMIASSA-N
norman_susdat_id: NS00011894
pubchem_cid: NA
smiles: CN(C)[C@H]1[C@@H]2[C@H]([C@@H]3C(=C)c4c(ccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)Cl)O
inchi:
InChI=1S/C22H21ClN2O8/c1-6-9-7(23)4-5-8(26)11(9)16(27)12-10(6)17(28)14-15(25(2)3)18(29)13(21(24)32)20(31)22(14,33)19(12)30/h4-5,10,14-15,17,26,28-30,33H,1H2,2-3H3,(H2,24,32)/t10-,14-,15+,17+,22+/m1/s1


name: Tenofovir disoproxil
cas: 201341-05-1
chebiid: CHEBI:63717
chemspiderid: 4587262
dtxsid: DTXSID5052757
formula: C19H30N5O10P1
inchikey: JFVZFKDSXNQEJW-CQSZACIVSA-N
norman_susdat_id: NS00001725
pubchem_cid: 5481350
smiles: CC(C)OC(=O)OCOP(=O)(CO[C@H](C)Cn1cnc2c(N)ncnc12)OCOC(=O)OC(C)C
inchi:
InChI=1S/C19H30N5O10P/c1-12(2)33-18(25)28-9-31-35(27,32-10-29-19(26)34-13(3)4)11-30-14(5)6-24-8-23-15-16(20)21-7-22-17(15)24/h7-8,12-14H,6,9-11H2,1-5H3,(H2,20,21,22)/t14-/m1/s1


name: 2,2'-[(2,2'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[N-(4-methoxyphenyl)-3-oxobutyramide]
cas: 20139-62-2
formula: C34H30Cl2N6O6
inchikey: JFXMNXSPYGVWSS-UHFFFAOYSA-N
norman_susdat_id: NS00051406
pubchem_cid: 89277
smiles: O=C(NC1=CC=C(OC)C=C1)C(N=NC=2C=CC(=C(Cl)C2)C3=CC=C(N=NC(C(=O)NC4=CC=C(OC)C=C4)C(=O)C)C=C3Cl)C(=O)C
inchi:
InChI=1/C34H30Cl2N6O6/c1-19(43)31(33(45)37-21-5-11-25(47-3)12-6-21)41-39-23-9-15-27(29(35)17-23)28-16-10-24(18-30(28)36)40-42-32(20(2)44)34(46)38-22-7-13-26(48-4)14-8-22/h5-18,31-32H,1-4H3,(H,37,45)(H,38,46)


name: 2,2''-[(2,2'-dichloro-4,4'-biphenylylene)bis(azo)]bis[4'-chloro-2',5'-dimethoxyacetoacetanilide]
cas: 20139-72-4
dtxsid: DTXSID60885118
formula: C34H28Cl4N6O6
inchikey: HPQHLIUTBIRGBT-UHFFFAOYSA-N
norman_susdat_id: NS00050125
pubchem_cid: NA
inchi:
InChI=1/C34H28Cl4N6O6/c1-17(45)31(33(47)39-20-7-5-19(35)6-8-20)43-41-21-9-11-23(25(36)13-21)24-12-10-22(14-26(24)37)42-44-32(18(2)46)34(48)40-28-16-29(49-3)27(38)15-30(28)50-4/h5-16,31-32H,1-4H3,(H,39,47)(H,40,48)

smiles:
O=C(NC1=CC=C(Cl)C=C1)C(N=NC=2C=CC(=C(Cl)C2)C3=CC=C(N=NC(C(=O)NC4=CC(OC)=C(Cl)C=C4OC)C(=O)C)C=C3Cl)C(=O)C


name: Talarozole
cas: 201410-53-9
chebiid: CHEBI:102030
dtxsid: DTXSID50236074
formula: C21H23N5S
inchikey: SNFYYXUGUBUECJ-HXUWFJFHSA-N
norman_susdat_id: NS00070970
pubchem_cid: 44421596
smiles: CCC(CC)[C@H](c1ccc(Nc2nc3ccccc3s2)cc1)n1cncn1
inchi:
InChI=1S/C21H23N5S/c1-3-15(4-2)20(26-14-22-13-23-26)16-9-11-17(12-10-16)24-21-25-18-7-5-6-8-19(18)27-21/h5-15,20H,3-4H2,1-2H3,(H,24,25)/t20-/m1/s1


name: 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazine-1-ethanol dihydrochloride
cas: 2015-28-3
formula: C21H26ClN3OS.2ClH
inchikey: JGTYANSBOIVAMH-UHFFFAOYSA-N
norman_susdat_id: NS00081660
smiles: Cl.Cl.OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1
inchi:
InChI=1/C21H26ClN3OS.2ClH/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26;;/h1-2,4-7,16,26H,3,8-15H2;2*1H


name: Fluorotripentylstannane
cas: 20153-49-5
dtxsid: DTXSID00173980
formula: C15H33FSn
inchikey: KNDYEMGWGHDSDW-UHFFFAOYSA-M
norman_susdat_id: NS00050613
pubchem_cid: 88382
smiles: F[Sn](CCCCC)(CCCCC)CCCCC
inchi:
InChI=1/3C5H11.FH.Sn/c3*1-3-5-4-2;;/h3*1,3-5H2,2H3;1H;/q;;;;+1/p-1/rC15H33FSn/c1-4-7-10-13-17(16,14-11-8-5-2)15-12-9-6-3/h4-15H2,1-3H3


name: Fluorotrihexylstannane
cas: 20153-50-8
dtxsid: DTXSID60173981
formula: C18H39FSn
inchikey: VIQZOBIMPYFTNZ-UHFFFAOYSA-M
norman_susdat_id: NS00050614
pubchem_cid: NA
smiles: F[Sn](CCCCCC)(CCCCCC)CCCCCC
inchi:
InChI=1/3C6H13.FH.Sn/c3*1-3-5-6-4-2;;/h3*1,3-6H2,2H3;1H;/q;;;;+1/p-1/rC18H39FSn/c1-4-7-10-13-16-20(19,17-14-11-8-5-2)18-15-12-9-6-3/h4-18H2,1-3H3


name: Deferasirox
cas: 201530-41-8
chebiid: CHEBI:49005
chemspiderid: 10770206
dtxsid: DTXSID1048596
formula: C21H15N3O4
inchikey: BOFQWVMAQOTZIW-UHFFFAOYSA-N
norman_susdat_id: NS00000461
pubchem_cid: NA
smiles: OC(=O)c1ccc(cc1)n2nc(nc2c3ccccc3O)c4ccccc4O
inchi:
InChI=1S/C21H15N3O4/c25-17-7-3-1-5-15(17)19-22-20(16-6-2-4-8-18(16)26)24(23-19)14-11-9-13(10-12-14)21(27)28/h1-12,25-26H,(H,27,28)


name: 2-(2-{5-[5-(azepan-1-ylmethyl)-2-thienyl]-1,2,4-oxadiazol-3-yl}ethyl)-1H-isoindole-1,3(2H)-dione
cas: 201545-86-0
chemspiderid: 8000092
dtxsid: DTXSID6048173
formula: C23H24N4O3S1
inchikey: QUKKMGJVXHURCY-UHFFFAOYSA-N
norman_susdat_id: NS00015614
pubchem_cid: 9824345
smiles: C1CCCN(CC1)CC2=CC=C(S2)C3=NC(=NO3)CCN4C(=O)C5=CC=CC=C5C4=O
inchi:
InChI=1S/C23H24N4O3S/c28-22-17-7-3-4-8-18(17)23(29)27(22)14-11-20-24-21(30-25-20)19-10-9-16(31-19)15-26-12-5-1-2-6-13-26/h3-4,7-10H,1-2,5-6,11-15H2


name: 17ß,19-dihydroxyandrost-4-en-3-one 17-benzoate
cas: 20155-05-9
dtxsid: DTXSID30942202
formula: C26H32O4
inchikey: OSPYUOYEOOYDPK-NVRZZMOUSA-N
norman_susdat_id: NS00050626
pubchem_cid: 22827731
smiles: O=C(OC1CCC2C3CCC4=CC(=O)CCC4(CO)C3CCC12C)C=5C=CC=CC5
inchi:
InChI=1/C26H32O4/c1-25-13-12-22-20(8-7-18-15-19(28)11-14-26(18,22)16-27)21(25)9-10-23(25)30-24(29)17-5-3-2-4-6-17/h2-6,15,20-23,27H,7-14,16H2,1H3


name: Choline salicylate
cas: 2016-36-6
chebiid: CHEBI:3668
formula: C7H5O3.C5H14NO
inchikey: UDKCHVLMFQVBAA-UHFFFAOYSA-M
norman_susdat_id: NS00081943
smiles: C[N+](C)(C)CCO.Oc1ccccc1C(=O)[O-]
inchi:
InChI=1/C7H6O3.C5H14NO/c8-6-4-2-1-3-5(6)7(9)10;1-6(2,3)4-5-7/h1-4,8H,(H,9,10);7H,4-5H2,1-3H3/q;+1/p-1


name: Bamifylline
cas: 2016-63-9
chebiid: CHEBI:135605
chemspiderid: 15401
dtxsid: DTXSID0022642
formula: C20H27N5O3
inchikey: VVUYEFBRTFASAH-UHFFFAOYSA-N
norman_susdat_id: NS00008220
pubchem_cid: 16229
smiles: CCN(CCO)CCn1c(Cc2ccccc2)nc2n(C)c(=O)n(C)c(=O)c12
inchi:
InChI=1S/C20H27N5O3/c1-4-24(12-13-26)10-11-25-16(14-15-8-6-5-7-9-15)21-18-17(25)19(27)23(3)20(28)22(18)2/h5-9,26H,4,10-14H2,1-3H3


name: Flufenacet ESA
cas: 201668-32-8
chebiid: CHEBI:83473
chemspiderid: 17340103
dtxsid: DTXSID60891451
formula: C11H14F1N1O4S1
inchikey: SZCMHDLOUVZYST-UHFFFAOYSA-N
norman_susdat_id: NS00000305
pubchem_cid: 16212225
smiles: Fc1ccc(cc1)N(C(C)C)C(=O)CS(O)(=O)=O
eea_notation: CAS_201668-32-8
inchi:
InChI=1S/C11H14FNO4S/c1-8(2)13(11(14)7-18(15,16)17)10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3,(H,15,16,17)


name: Cinmetacin
cas: 20168-99-4
dtxsid: DTXSID70878556
formula: C21H19NO4
inchikey: NKPPORKKCMYYTO-UHFFFAOYSA-N
norman_susdat_id: NS00050126
pubchem_cid: 29978
smiles: O=C(O)CC=1C=2C=C(OC)C=CC2N(C(=O)C=CC=3C=CC=CC3)C1C
inchi:
InChI=1/C21H19NO4/c1-14-17(13-21(24)25)18-12-16(26-2)9-10-19(18)22(14)20(23)11-8-15-6-4-3-5-7-15/h3-12H,13H2,1-2H3,(H,24,25)


cas: 201687-57-2
dtxsid: DTXSID3029863
norman_susdat_id: NS00113159
name:
FATTY ACIDS, TALL OIL, 2-MERCAPTOETHYL ESTERS, REACTION PRODUCTSWITH DICHLOROMETHYLSTANNANE, SODIUM SULFIDE, ANDTRICHLOROMETHYLSTANNANE


cas: 201687-58-3
dtxsid: DTXSID50109517
norman_susdat_id: NS00113586
name:
Fatty acids, tall-oil, 2-mercaptoethyl esters, reaction products with dichlorodimethylstannane, 2-mercaptoethyl oleate, sodium sulfide (Na2S) and trichloromethylstannane


name: 3,5-Di-tert-butyl-4-hydroxyhydocinnamic acid
cas: 20170-32-5
chemspiderid: 79743
dtxsid: DTXSID2066561
formula: C17H26O3
inchikey: WPMYUUITDBHVQZ-UHFFFAOYSA-N
norman_susdat_id: NS00019599
pubchem_cid: 88389
smiles: CC(C)(C)c1cc(CCC(=O)[O-])cc(c1O)C(C)(C)C
inchi:
InChI=1S/C17H26O3/c1-16(2,3)12-9-11(7-8-14(18)19)10-13(15(12)20)17(4,5)6/h9-10,20H,7-8H2,1-6H3,(H,18,19)


name: 1-Amino-N-butyl-9,10-dihydro-4-(methylamino)-9,10-dioxoanthracene-2-carboxamide
cas: 20171-06-6
chemspiderid: 79746
dtxsid: DTXSID50174003
formula: C20H21N3O3
inchikey: UNEWTZKBSHBFEM-UHFFFAOYSA-N
norman_susdat_id: NS00026538
pubchem_cid: 88392
smiles: CCCCNC(=O)c1cc(NC)c2C(=O)c3c(cccc3)C(=O)c2c1N
inchi:
InChI=1S/C20H21N3O3/c1-3-4-9-23-20(26)13-10-14(22-2)15-16(17(13)21)19(25)12-8-6-5-7-11(12)18(15)24/h5-8,10,22H,3-4,9,21H2,1-2H3,(H,23,26)


name: N-benzylidenedodecylamine
cas: 20172-42-3
formula: C19H31N
inchikey: RRDJYGJOZRFVNY-UHFFFAOYSA-N
norman_susdat_id: NS00050685
pubchem_cid: 89283
smiles: N(=CC=1C=CC=CC1)CCCCCCCCCCCC
inchi:
InChI=1/C19H31N/c1-2-3-4-5-6-7-8-9-10-14-17-20-18-19-15-12-11-13-16-19/h11-13,15-16,18H,2-10,14,17H2,1H3


name: Iron(3+) heptadecanoate
cas: 20174-73-6
formula: C17H34O2.1/3Fe
inchikey: MPQXUCJJBFCGHK-UHFFFAOYSA-K
norman_susdat_id: NS00084297
smiles: [Fe+3].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/3C17H34O2.Fe/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19;/h3*2-16H2,1H3,(H,18,19);/q;;;+3/p-3


name: Tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)tin azide
cas: 201740-73-0
dtxsid: DTXSID20446284
formula: C24H12F39N3Sn
inchikey: XBCIYHZQPNYTIF-UHFFFAOYSA-N
norman_susdat_id: NS00109523
inchi:
InChI=1S/3C8H4F13.N3.Sn/c3*1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;1-3-2;/h3*1-2H2;;/q;;;-1;+1

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Sn](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N=[N+]=[N-]


name: p-((1-Amino-4-hydroxy-9,10-dioxo-9,10-dihydro-2-anthryl)oxy)phenylacetate
cas: 20179-08-2
chemspiderid: 79749
dtxsid: DTXSID10174009
formula: C22H15N1O6
inchikey: FQNOCNXTYADZSJ-UHFFFAOYSA-N
norman_susdat_id: NS00026541
pubchem_cid: 88395
smiles: CC(=O)Oc1ccc(Oc2cc(O)c3C(=O)c4c(cccc4)C(=O)c3c2N)cc1
inchi:
InChI=1S/C22H15NO6/c1-11(24)28-12-6-8-13(9-7-12)29-17-10-16(25)18-19(20(17)23)22(27)15-5-3-2-4-14(15)21(18)26/h2-10,25H,23H2,1H3


cas: 20179-35-5
formula: C28H34N10O10S2
inchikey: NOGCIQNTOKXBKB-TXOOBNKBSA-L
norman_susdat_id: NS00050686
pubchem_cid: 14473143
name:
Disodium 4,4'-bis[[4-[(2-hydroxypropyl)amino]-6-methoxy-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

inchi:
InChI=1/C28H34N10O10S2.2Na/c1-15(39)13-29-23-33-25(37-27(35-23)47-3)31-19-9-7-17(21(11-19)49(41,42)43)5-6-18-8-10-20(12-22(18)50(44,45)46)32-26-34-24(30-14-16(2)40)36-28(38-26)48-4;;/h5-12,15-16,39-40H,13-14H2,1-4H3,(H,41,42,43)(H,44,45,46)(H2,29,31,33,35,37)(H2,30,32,34,36,38);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(=CC=C1C=CC2=CC=C(C=C2S(=O)(=O)[O-])NC3=NC(=NC(=N3)NCC(O)C)OC)NC4=NC(=NC(=N4)NCC(O)C)OC


name: 6-Aza-Uridine Monophosphate
cas: 2018-19-1
dtxsid: DTXSID60942235
formula: C8H12N3O9P
inchikey: LRVZOSYMNMNQFR-SHUUEZRQSA-N
norman_susdat_id: NS00070701
pubchem_cid: 150959
smiles: O=c1cnn([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c(=O)[nH]1
inchi:
InChI=1S/C8H12N3O9P/c12-4-1-9-11(8(15)10-4)7-6(14)5(13)3(20-7)2-19-21(16,17)18/h1,3,5-7,13-14H,2H2,(H,10,12,15)(H2,16,17,18)/t3-,5-,6-,7-/m1/s1


name: Leucine, N-carboxy-, N-benzyl ester, L-
cas: 2018-66-8
chebiid: CHEBI:28282
chemspiderid: 67405
dtxsid: DTXSID80174011
formula: C14H19N1O4
inchikey: USPFMEKVPDBMCG-LBPRGKRZSA-N
norman_susdat_id: NS00026542
pubchem_cid: 74840
smiles: CC(C)CC(NC(=O)OCc1ccccc1)C(=O)O
inchi:
InChI=1S/C14H19NO4/c1-10(2)8-12(13(16)17)15-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17)/t12-/m1/s1


cas: 20182-55-2
formula: C28H36N12O10S2
inchikey: PDHPQRWCNQYKMJ-SEPHDYHBSA-L
norman_susdat_id: NS00051474
pubchem_cid: 44152654
name:
Disodium 4,4'-bis[[4-amino-6-[bis(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

inchi:
InChI=1/C28H36N12O10S2.2Na/c29-23-33-25(37-27(35-23)39(7-11-41)8-12-42)31-19-5-3-17(21(15-19)51(45,46)47)1-2-18-4-6-20(16-22(18)52(48,49)50)32-26-34-24(30)36-28(38-26)40(9-13-43)10-14-44;;/h1-6,15-16,41-44H,7-14H2,(H,45,46,47)(H,48,49,50)(H3,29,31,33,35,37)(H3,30,32,34,36,38);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(=CC=C1C=CC2=CC=C(C=C2S(=O)(=O)[O-])NC3=NC(=NC(=N3)N(CCO)CCO)N)NC4=NC(=NC(=N4)N(CCO)CCO)N


name: 2-pyrrolidin-1-ylethyl 2-phenylbicyclo[2.2.1]heptane-2-carboxylate hydrochloride
cas: 20185-96-0
dtxsid: DTXSID40942238
formula: C20H27NO2
inchikey: YFEDLOXYMYYJLF-UHFFFAOYSA-N
norman_susdat_id: NS00051475
pubchem_cid: 44152990
smiles: Cl.O=C(OCCN1CCCC1)C2(C=3C=CC=CC3)CC4CCC2C4
inchi:
InChI=1/C20H27NO2.ClH/c22-19(23-13-12-21-10-4-5-11-21)20(17-6-2-1-3-7-17)15-16-8-9-18(20)14-16;/h1-3,6-7,16,18H,4-5,8-15H2;1H


name: Bendazac
cas: 20187-55-7
chebiid: CHEBI:31257
chemspiderid: 2223
dtxsid: DTXSID1048334
formula: C16H14N2O3
inchikey: BYFMCKSPFYVMOU-UHFFFAOYSA-N
norman_susdat_id: NS00026543
pubchem_cid: 2313
smiles: [O-]C(=O)COc1nn(Cc2ccccc2)c2c1cccc2
inchi:
InChI=1S/C16H14N2O3/c19-15(20)11-21-16-13-8-4-5-9-14(13)18(17-16)10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,19,20)


name: [2-[hydroxydiphenylacetoxy]ethyl]dimethyloctylammonium bromide
cas: 2019-14-9
dtxsid: DTXSID80942252
formula: C26H38NO3
inchikey: JVFBRWHIOQXBFW-UHFFFAOYSA-M
norman_susdat_id: NS00046365
pubchem_cid: 121294
smiles: [Br-].O=C(OCC[N+](C)(C)CCCCCCCC)C(O)(C=1C=CC=CC1)C=2C=CC=CC2
inchi:
InChI=1/C26H38NO3.BrH/c1-4-5-6-7-8-15-20-27(2,3)21-22-30-25(28)26(29,23-16-11-9-12-17-23)24-18-13-10-14-19-24;/h9-14,16-19,29H,4-8,15,20-22H2,1-3H3;1H/q+1;/p-1


name: 1,1'-(decane-1,10-diyl)bis[4-amino-2-methylquinolinium] diiodide
cas: 2019-42-3
formula: C30H40N4.2I
inchikey: BTXPITUAZUILEM-UHFFFAOYSA-N
norman_susdat_id: NS00081673
smiles: [I-].[I-].Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34
inchi:
InChI=1/C30H38N4.2HI/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;;/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*1H


name: Dipentaerythritol pentastearate
cas: 20190-00-5
formula: C100H192O12
inchikey: RBZMSAAQBUBBDH-UHFFFAOYSA-N
norman_susdat_id: NS00050687
pubchem_cid: 167881
inchi:
InChI=1/C100H192O12/c1-6-11-16-21-26-31-36-41-46-51-56-61-66-71-76-81-94(102)108-89-99(86-101,90-109-95(103)82-77-72-67-62-57-52-47-42-37-32-27-22-17-12-7-2)87-107-88-100(91-110-96(104)83-78-73-68-63-58-53-48-43-38-33-28-23-18-13-8-3,92-111-97(105)84-79-74-69-64-59-54-49-44-39-34-29-24-19-14-9-4)93-112-98(106)85-80-75-70-65-60-55-50-45-40-35-30-25-20-15-10-5/h101H,6-93H2,1-5H3

smiles:
O=C(OCC(CO)(COC(=O)CCCCCCCCCCCCCCCCC)COCC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC


name: 3,6-bis(dimethylamino)-10-methylacridinium chloride
cas: 20195-94-2
dtxsid: DTXSID50942269
formula: C18H22N3
inchikey: MZQYZETURJKXIA-UHFFFAOYSA-M
norman_susdat_id: NS00050178
pubchem_cid: 161304
smiles: [Cl-].C1=CC(=CC=2C1=CC=3C=CC(=CC3[N+]2C)N(C)C)N(C)C
inchi:
InChI=1/C18H22N3.ClH/c1-19(2)15-8-6-13-10-14-7-9-16(20(3)4)12-18(14)21(5)17(13)11-15;/h6-12H,1-5H3;1H/q+1;/p-1


name: Bis(3-phenylpropyl) phthalate
cas: 20198-64-5
chemspiderid: 79757
dtxsid: DTXSID20174035
formula: C26H26O4
inchikey: YCPGFFUNLDSSRX-UHFFFAOYSA-N
norman_susdat_id: NS00026546
pubchem_cid: 88403
smiles: O=C(OCCCc1ccccc1)c1c(cccc1)C(=O)OCCCc1ccccc1
inchi:
InChI=1S/C26H26O4/c27-25(29-19-9-15-21-11-3-1-4-12-21)23-17-7-8-18-24(23)26(28)30-20-10-16-22-13-5-2-6-14-22/h1-8,11-14,17-18H,9-10,15-16,19-20H2


name: N-Stearylbenzylamine
cas: 20198-87-2
chemspiderid: 79758
dtxsid: DTXSID2066567
formula: C25H45N1
inchikey: OALZJIBCZVVPBY-UHFFFAOYSA-N
norman_susdat_id: NS00026547
pubchem_cid: 88404
smiles: CCCCCCCCCCCCCCCCCCNCc1ccccc1
inchi:
InChI=1S/C25H45N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26-24-25-21-18-17-19-22-25/h17-19,21-22,26H,2-16,20,23-24H2,1H3


name: 2-methoxy-4-(5,6,6-trimethylbicyclo[2.2.1]hept-2-yl)phenol
cas: 20201-60-9
dtxsid: DTXSID90885121
formula: C17H24O2
inchikey: ZDDMXFRCSRMVFF-UHFFFAOYSA-N
norman_susdat_id: NS00051489
pubchem_cid: 89290
smiles: OC1=CC=C(C=C1OC)C2CC3CC2C(C)(C)C3C
inchi:
InChI=1/C17H24O2/c1-10-12-7-13(14(8-12)17(10,2)3)11-5-6-15(18)16(9-11)19-4/h5-6,9-10,12-14,18H,7-8H2,1-4H3


name: 2-methoxy-5-(5,6,6-trimethyl-2-norbornyl)phenol
cas: 20201-72-3
dtxsid: DTXSID50885122
formula: C17H24O2
inchikey: QCAGVVHJLMZTNW-UHFFFAOYSA-N
norman_susdat_id: NS00050688
pubchem_cid: 89291
smiles: OC1=CC(=CC=C1OC)C2CC3CC2C(C)(C)C3C
inchi:
InChI=1/C17H24O2/c1-10-12-7-13(14(8-12)17(10,2)3)11-5-6-16(19-4)15(18)9-11/h5-6,9-10,12-14,18H,7-8H2,1-4H3


name: 2-methoxy-6-(5,6,6-trimethyl-2-norbornyl)phenol
cas: 20201-75-6
dtxsid: DTXSID10885123
formula: C17H24O2
inchikey: IIONSYMKCJTBCD-UHFFFAOYSA-N
norman_susdat_id: NS00051490
pubchem_cid: 89292
smiles: OC=1C(OC)=CC=CC1C2CC3CC2C(C)(C)C3C
inchi:
InChI=1/C17H24O2/c1-10-11-8-13(14(9-11)17(10,2)3)12-6-5-7-15(19-4)16(12)18/h5-7,10-11,13-14,18H,8-9H2,1-4H3


name: 1-amino-4-hydroxy-2-[4-[[(4-methylphenyl)sulphonyl]oxy]phenoxy]anthraquinone
cas: 20210-73-5
dtxsid: DTXSID20942291
formula: C27H19NO7S
inchikey: GFRYADAXOQKIEP-UHFFFAOYSA-N
norman_susdat_id: NS00050659
pubchem_cid: 16205009
smiles: O=C1C=2C=CC=CC2C(=O)C3=C(N)C(OC4=CC=C(OS(=O)(=O)C5=CC=C(C=C5)C)C=C4)=CC(O)=C13
inchi:
InChI=1/C27H19NO7S/c1-15-6-12-18(13-7-15)36(32,33)35-17-10-8-16(9-11-17)34-22-14-21(29)23-24(25(22)28)27(31)20-5-3-2-4-19(20)26(23)30/h2-14,29H,28H2,1H3


name: 4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy]phenyl o-toluenesulphonate
cas: 20210-74-6
dtxsid: DTXSID80942292
formula: C27H19NO7S
inchikey: FDZLAOZRZYUOJA-UHFFFAOYSA-N
norman_susdat_id: NS00050179
pubchem_cid: 44150919
smiles: O=C1C=2C=CC=CC2C(=O)C3=C(N)C(OC4=CC=C(OS(=O)(=O)C=5C=CC=CC5C)C=C4)=CC(O)=C13
inchi:
InChI=1/C27H19NO7S/c1-15-6-2-5-9-22(15)36(32,33)35-17-12-10-16(11-13-17)34-21-14-20(29)23-24(25(21)28)27(31)19-8-4-3-7-18(19)26(23)30/h2-14,29H,28H2,1H3


name: Ethylene disalicylate
cas: 20210-97-3
chemspiderid: 35013
dtxsid: DTXSID30174061
formula: C16H14O6
inchikey: FDXIVRQIMPXJGE-UHFFFAOYSA-N
norman_susdat_id: NS00026551
pubchem_cid: 88413
smiles: Oc1ccccc1C(=O)OCCOC(=O)c1c(O)cccc1
inchi:
InChI=1S/C16H14O6/c17-13-7-3-1-5-11(13)15(19)21-9-10-22-16(20)12-6-2-4-8-14(12)18/h1-8,17-18H,9-10H2


name: Bilastine
cas: 202189-78-4
chebiid: CHEBI:135954
chemspiderid: 79591
dtxsid: DTXSID5057678
formula: C28H37N3O3
inchikey: ACCMWZWAEFYUGZ-UHFFFAOYSA-N
norman_susdat_id: NS00040658
pubchem_cid: 185460
smiles: CCOCCn1c(nc2ccccc12)C1CCN(CCc2ccc(cc2)C(C)(C)C(O)=O)CC1
inchi:
InChI=1S/C28H37N3O3/c1-4-34-20-19-31-25-8-6-5-7-24(25)29-26(31)22-14-17-30(18-15-22)16-13-21-9-11-23(12-10-21)28(2,3)27(32)33/h5-12,22H,4,13-20H2,1-3H3,(H,32,33)


name: Angiotensin IV
cas: 202203-97-2
chebiid: CHEBI:80127
chemspiderid: 110363
formula: C40H54N8O8
inchikey: QSBGWDDCOJYQGY-KOQODJNWSA-N
norman_susdat_id: NS00015005
pubchem_cid: 123814
inchi:
InChI=1S/C40H54N8O8/c1-5-24(4)34(47-35(50)29(44-37(52)33(41)23(2)3)18-26-13-15-28(49)16-14-26)38(53)45-30(20-27-21-42-22-43-27)39(54)48-17-9-12-32(48)36(51)46-31(40(55)56)19-25-10-7-6-8-11-25/h6-8,10-11,13-16,21-24,29-34,49H,5,9,12,17-20,41H2,1-4H3,(H,42,43)(H,44,52)(H,45,53)(H,46,51)(H,47,50)(H,55,56)/t24-,29-,30-,31-,32-,33-,34-/m0/s1

smiles:
CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=<br>O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)N


name: Methyl (9Z,12E)-octadeca-9,12-dienoate
cas: 20221-27-6
formula: C19H34O2
inchikey: WTTJVINHCBCLGX-LFOHPMNASA-N
norman_susdat_id: NS00084651
smiles: CCCCC\C=C\C\C=C/CCCCCCCC(=O)OC
inchi:
InChI=1/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h7-8,10-11H,3-6,9,12-18H2,1-2H3


cas: 20227-53-6
dtxsid: DTXSID0027808
formula: C53H77O4P
inchikey: GVCIJKWSBDKBJP-UHFFFAOYSA-N
norman_susdat_id: NS00050752
pubchem_cid: 88417
name:
2-(tert-butyl)-4-[1-[3-(tert-butyl)-4-hydroxyphenyl]-1-methylethyl]phenyl bis(4-nonylphenyl) phosphite

inchi:
InChI=1/C53H77O4P/c1-11-13-15-17-19-21-23-25-41-27-33-45(34-28-41)55-58(56-46-35-29-42(30-36-46)26-24-22-20-18-16-14-12-2)57-50-38-32-44(40-48(50)52(6,7)8)53(9,10)43-31-37-49(54)47(39-43)51(3,4)5/h27-40,54H,11-26H2,1-10H3

smiles:
OC1=CC=C(C=C1C(C)(C)C)C(C2=CC=C(OP(OC3=CC=C(C=C3)CCCCCCCCC)OC4=CC=C(C=C4)CCCCCCCCC)C(=C2)C(C)(C)C)(C)C


name: Spiraeoside
cas: 20229-56-5
chebiid: CHEBI:75839
chemspiderid: 4478811
dtxsid: DTXSID00174078
formula: C21H20O12
inchikey: OIUBYZLTFSLSBY-HMGRVEAOSA-N
norman_susdat_id: NS00026552
pubchem_cid: 5320844
smiles: OC[C@H]1O[C@@H](Oc2ccc(cc2O)c2c(O)c(=O)c3c(o2)cc(O)cc3O)[C@H](O)[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C21H20O12/c22-6-13-15(26)17(28)19(30)21(33-13)32-11-2-1-7(3-9(11)24)20-18(29)16(27)14-10(25)4-8(23)5-12(14)31-20/h1-5,13,15,17,19,21-26,28-30H,6H2/t13-,15-,17+,19-,21-/m1/s1


name: (3ß,5a)-3-[(6-O-ß-D-glucopyranosyl-ß-D-glucopyranosyl)oxy]-14-hydroxycard-20(22)-enolide
cas: 20231-81-6
formula: C35H54O14
inchikey: COIUWGNHAYDCDZ-UHFFFAOYSA-N
norman_susdat_id: NS00050753
pubchem_cid: 348483
smiles: O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC5(C)C4CCC23C
inchi:
InChI=1/C35H54O14/c1-33-8-5-18(47-32-30(43)28(41)26(39)23(49-32)15-46-31-29(42)27(40)25(38)22(13-36)48-31)12-17(33)3-4-21-20(33)6-9-34(2)19(7-10-35(21,34)44)16-11-24(37)45-14-16/h11,17-23,25-32,36,38-44H,3-10,12-15H2,1-2H3


name: Barium bis(2,4,6-trinitroresorcinolate)
cas: 20236-55-9
formula: C6H3N3O8.1/2Ba
inchi: InChI=1/2C6H3N3O8.2Ba/c2*10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17;;/h2*1,10-11H;;/q;;2*+2/p-4
inchikey: IYSKAJPMIYQNRE-UHFFFAOYSA-J
norman_susdat_id: NS00084362
smiles:
[Ba+2].[Ba+2].[O-]c1c(cc(c([O-])c1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-].[O-]c2c(cc(c([O-])c2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]


name: 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48-Hexadecaoxahexacontan-1-ol
cas: 20236-64-0
chemspiderid: 8008451
dtxsid: DTXSID10431407
formula: C44H90O17
inchikey: SCHZNTAOTOHPSS-UHFFFAOYSA-N
norman_susdat_id: NS00014610
pubchem_cid: 9832723
smiles: CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C44H90O17/c1-2-3-4-5-6-7-8-9-10-11-13-46-15-17-48-19-21-50-23-25-52-27-29-54-31-33-56-35-37-58-39-41-60-43-44-61-42-40-59-38-36-57-34-32-55-30-28-53-26-24-51-22-20-49-18-16-47-14-12-45/h45H,2-44H2,1H3


name: Tridecyl orthoborate
cas: 20236-81-1
dtxsid: DTXSID6066573
formula: C30H63BO3
inchikey: WAXLMVCEFHKADZ-UHFFFAOYSA-N
norman_susdat_id: NS00051985
pubchem_cid: 88422
smiles: O(B(OCCCCCCCCCC)OCCCCCCCCCC)CCCCCCCCCC
inchi:
InChI=1/C30H63BO3/c1-4-7-10-13-16-19-22-25-28-32-31(33-29-26-23-20-17-14-11-8-5-2)34-30-27-24-21-18-15-12-9-6-3/h4-30H2,1-3H3


name: (5a)-6,7-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-yl acetate hydrochloride
cas: 20236-82-2
formula: C20H23NO4.ClH
inchikey: OTQDEDKVELDPIY-ZKVYEUBZSA-N
norman_susdat_id: NS00084632
smiles: Cl.COc1ccc2C[C@@H]3[C@@H]4CC=C(OC(=O)C)[C@@H]5Oc1c2[C@]45CCN3C
inchi:
InChI=1/C20H23NO4.ClH/c1-11(22)24-16-7-5-13-14-10-12-4-6-15(23-3)18-17(12)20(13,19(16)25-18)8-9-21(14)2;/h4,6-7,13-14,19H,5,8-10H2,1-3H3;1H


name: Cyclohexanone, 2,6-bis[(4-azidophenyl)methylene]-
cas: 20237-98-3
chemspiderid: 80582
dtxsid: DTXSID1066574
formula: C20H16N6O1
inchikey: UZNOMHUYXSAUPB-UHFFFAOYSA-N
norman_susdat_id: NS00026553
pubchem_cid: 89294
smiles: [N-]=[N+]=Nc1ccc(/C=C/2CCC/C(=Cc3ccc(cc3)N=[N+]=[N-])/C2=O)cc1
inchi:
InChI=1S/C20H16N6O/c21-25-23-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)27)13-15-6-10-19(11-7-15)24-26-22/h4-13H,1-3H2/b16-12+,17-13+


name: Carbonochloridic acid, (1-methylethylidene)di-4,1-phenylene ester
cas: 2024-88-6
chebiid: CHEBI:34576
chemspiderid: 67408
dtxsid: DTXSID8062105
formula: C17H14Cl2O4
inchikey: MMWCQWOKHLEYSP-UHFFFAOYSA-N
norman_susdat_id: NS00026558
pubchem_cid: 74843
smiles: CC(C)(c1ccc(OC(=O)Cl)cc1)c1ccc(OC(=O)Cl)cc1
inchi:
InChI=1S/C17H14Cl2O4/c1-17(2,11-3-7-13(8-4-11)22-15(18)20)12-5-9-14(10-6-12)23-16(19)21/h3-10H,1-2H3


name: Copper(1+) oleate
cas: 20240-06-6
formula: C18H34O2.Cu
inchikey: NFRRPHPZDNJENC-KVVVOXFISA-M
norman_susdat_id: NS00084655
smiles: [Cu+].CCCCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H34O2.Cu/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;+1/p-1


name: Etoricoxib
cas: 202409-33-4
chebiid: CHEBI:6339
chemspiderid: 110209
dtxsid: DTXSID3046457
formula: C18H15Cl1N2O2S1
inchikey: MNJVRJDLRVPLFE-UHFFFAOYSA-N
norman_susdat_id: NS00005633
pubchem_cid: 123619
smiles: Cc1ccc(cn1)-c1ncc(Cl)cc1-c1ccc(cc1)S(C)(=O)=O
inchi:
InChI=1S/C18H15ClN2O2S/c1-12-3-4-14(10-20-12)18-17(9-15(19)11-21-18)13-5-7-16(8-6-13)24(2,22)23/h3-11H,1-2H3


name: Disodium 4-(benzoylamino)-5-hydroxynaphthalene-1,7-disulphonate
cas: 20241-55-8
formula: C17H13NO8S2.2Na
inchikey: NIANCZCABFGLTR-UHFFFAOYSA-L
norman_susdat_id: NS00084363
smiles: [Na+].[Na+].Oc1cc(cc2c(ccc(NC(=O)c3ccccc3)c12)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C17H13NO8S2.2Na/c19-14-9-11(27(21,22)23)8-12-15(28(24,25)26)7-6-13(16(12)14)18-17(20)10-4-2-1-3-5-10;;/h1-9,19H,(H,18,20)(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2


name: Benzamide, 4-amino-N-[3-[(2-hydroxyethyl)sulfonyl]phenyl]-
cas: 20241-68-3
chemspiderid: 79780
dtxsid: DTXSID6066575
formula: C15H16N2O4S1
inchikey: ZXRPDBDIBLUWFT-UHFFFAOYSA-N
norman_susdat_id: NS00026554
pubchem_cid: 88427
smiles: Nc1ccc(cc1)C(=O)Nc1cccc(c1)S(=O)(=O)CCO
inchi:
InChI=1S/C15H16N2O4S/c16-12-6-4-11(5-7-12)15(19)17-13-2-1-3-14(10-13)22(20,21)9-8-18/h1-7,10,18H,8-9,16H2,(H,17,19)


name: 9,10-Anthracenedione, 1,4-bis[(2,6-diethylphenyl)amino]-
cas: 20241-74-1
chemspiderid: 79781
dtxsid: DTXSID1066576
formula: C34H34N2O2
inchikey: YDWOAJFKMUQBOU-UHFFFAOYSA-N
norman_susdat_id: NS00026555
pubchem_cid: 88428
smiles: CCc1cccc(CC)c1Nc1ccc(Nc2c(CC)cccc2CC)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C34H34N2O2/c1-5-21-13-11-14-22(6-2)31(21)35-27-19-20-28(36-32-23(7-3)15-12-16-24(32)8-4)30-29(27)33(37)25-17-9-10-18-26(25)34(30)38/h9-20,35-36H,5-8H2,1-4H3


name: 9,10-Anthracenedione, 1,5-dihydroxy-4,8-bis[(4-methylphenyl)amino]-
cas: 20241-75-2
chemspiderid: 65580
dtxsid: DTXSID6066577
formula: C28H22N2O4
inchikey: USXUIUWGIGFKRR-UHFFFAOYSA-N
norman_susdat_id: NS00026556
pubchem_cid: 72741
smiles: Cc1ccc(Nc2ccc(O)c3c2C(=O)c2c(O)ccc(Nc4ccc(C)cc4)c2C3=O)cc1
inchi:
InChI=1S/C28H22N2O4/c1-15-3-7-17(8-4-15)29-19-11-13-21(31)25-23(19)27(33)26-22(32)14-12-20(24(26)28(25)34)30-18-9-5-16(2)6-10-18/h3-14,29-32H,1-2H3


name: Disperse Blue 77
cas: 20241-76-3
chemspiderid: 4575739
dtxsid: DTXSID1066578
formula: C20H12N2O6
inchikey: DYALWCKAJBVSBZ-UHFFFAOYSA-N
norman_susdat_id: NS00019788
pubchem_cid: 102057906
smiles: Oc1ccc(Nc2ccccc2)c2c1C(=O)c1c(C2=O)c(ccc1O)[N+](=O)[O-]
inchi:
InChI=1S/C20H12N2O6/c23-13-8-6-11(21-10-4-2-1-3-5-10)15-17(13)20(26)18-14(24)9-7-12(22(27)28)16(18)19(15)25/h1-9,21,23-24H


name: 9,10-Anthracenedione, 1-amino-4,5-dihydroxy-8-(phenylamino)-
cas: 20241-77-4
chemspiderid: 79782
dtxsid: DTXSID6066579
formula: C20H14N2O4
inchikey: PPGISMVFVBBTGY-UHFFFAOYSA-N
norman_susdat_id: NS00020165
pubchem_cid: 88430
smiles: Nc1ccc(O)c2c1C(=O)c1c(Nc3ccccc3)ccc(O)c1C2=O
inchi:
InChI=1S/C20H14N2O4/c21-11-6-8-13(23)17-15(11)19(25)16-12(22-10-4-2-1-3-5-10)7-9-14(24)18(16)20(17)26/h1-9,22-24H,21H2


name: 7-Methylguanosine
cas: 20244-86-4
chebiid: CHEBI:20794
chemspiderid: 393054
formula: C11H16N5O5
inchikey: OGHAROSJZRTIOK-KQYNXXCUSA-O
norman_susdat_id: NS00015027
pubchem_cid: 445404
smiles: CN1C=[N+](C2=C1C(=O)N=C(N2)N)C3C(C(C(O3)CO)O)O
inchi:
InChI=1S/C11H15N5O5/c1-15-3-16(8-5(15)9(20)14-11(12)13-8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2-,12,13,14,20)/p+1/t4-,6-,7-,10-/m1/s1


name: 1,1'-(decane-1,10-diyl)bis[4-amino-2-methylquinolinium] diundec-10-enoate
cas: 20246-15-5
formula: C30H40N4.2C11H19O2
inchikey: ADVZBZHXUINOFY-UHFFFAOYSA-N
norman_susdat_id: NS00085277
smiles: Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]3c(C)cc(N)c4ccccc34.[O-]C(=O)CCCCCCCCC=C.[O-]C(=O)CCCCCCCCC=C
inchi:
InChI=1/C30H38N4.2C11H20O2/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34;2*1-2-3-4-5-6-7-8-9-10-11(12)13/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3;2*2H,1,3-10H2,(H,12,13)


name: Acetamide, N-[3-[bis[2-(acetyloxy)ethyl]amino]-4-ethoxyphenyl]-
cas: 20249-05-2
chemspiderid: 79787
dtxsid: DTXSID0066581
formula: C18H26N2O6
inchikey: PJCAOXWCMOVGQL-UHFFFAOYSA-N
norman_susdat_id: NS00026559
pubchem_cid: 88435
smiles: CCOc1c(cc(NC(=O)C)cc1)N(CCOC(=O)C)CCOC(=O)C
inchi:
InChI=1S/C18H26N2O6/c1-5-24-18-7-6-16(19-13(2)21)12-17(18)20(8-10-25-14(3)22)9-11-26-15(4)23/h6-7,12H,5,8-11H2,1-4H3,(H,19,21)


name: 1,4-Dihydroxy-2-((3-methoxypropyl)amino)anthraquinone
cas: 20253-60-5
chemspiderid: 79788
dtxsid: DTXSID40174097
formula: C18H17N1O5
inchikey: DCFOEKQHOISDOS-UHFFFAOYSA-N
norman_susdat_id: NS00026560
pubchem_cid: 88436
smiles: COCCCNc1cc(O)c2C(=O)c3c(cccc3)C(=O)c2c1O
inchi:
InChI=1S/C18H17NO5/c1-24-8-4-7-19-12-9-13(20)14-15(18(12)23)17(22)11-6-3-2-5-10(11)16(14)21/h2-3,5-6,9,19-20,23H,4,7-8H2,1H3


name: Iron tridocosanoate
cas: 20259-31-8
formula: C22H44O2.1/3Fe
inchikey: BJQGLJQMEZUCGL-UHFFFAOYSA-K
norman_susdat_id: NS00084378
smiles: [Fe+3].CCCCCCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCCCCCC([O-])=O
inchi:
InChI=1/3C22H44O2.Fe/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;/h3*2-21H2,1H3,(H,23,24);/q;;;+3/p-3


name: Iron tripalmitate
cas: 20259-32-9
formula: C16H32O2.1/3Fe
inchikey: GIFIIAHOGINLJV-UHFFFAOYSA-K
norman_susdat_id: NS00084634
smiles: [Fe+3].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/3C16H32O2.Fe/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h3*2-15H2,1H3,(H,17,18);/q;;;+3/p-3


name: Sodium decyl phthalate
cas: 20259-91-0
chemspiderid: 2283296
dtxsid: DTXSID30174102
formula: C18H26O4
inchikey: QQDCMCNVEUMCME-UHFFFAOYSA-M
norman_susdat_id: NS00026562
pubchem_cid: 23696768
smiles: [Na+].CCCCCCCCCCOC(=O)c1c(cccc1)C(=O)[O-]
inchi:
InChI=1S/C18H26O4/c1-2-3-4-5-6-7-8-11-14-22-18(21)16-13-10-9-12-15(16)17(19)20/h9-10,12-13H,2-8,11,14H2,1H3,(H,19,20)


name: Lead sulphite
cas: 2025-91-7
formula: H2O3S.Pb
inchikey: OVJOMRKANUZJBM-UHFFFAOYSA-L
norman_susdat_id: NS00082295
smiles: [Pb+2].[O-]S([O-])=O
inchi:
InChI=1/H2O3S.Pb.2H/c1-4(2)3;;;/h(H2,1,2,3);;;/q;+4;;/p-2/rH2O3S.H2Pb/c1-4(2)3;/h(H2,1,2,3);1H2/q;+4/p-2


name: Dehydroabietylamine acetate
cas: 2026-24-6
formula: C20H31N.C2H4O2
inchikey: BFAQRUGPWJVQDA-WFBUOHSLSA-N
norman_susdat_id: NS00081298
smiles: CC(C)c1ccc2c(CC[C@H]3[C@](C)(CN)CCC[C@]23C)c1.CC(=O)O
inchi:
InChI=1/C20H31N.C2H4O2/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4;1-2(3)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3;1H3,(H,3,4)


name: Ginkgolic acid C13:0
cas: 20261-38-5
chebiid: CHEBI:175101
chemspiderid: 141696
dtxsid: DTXSID10174105
formula: C20H32O3
inchikey: VEPUCZUJLKAVNM-UHFFFAOYSA-N
norman_susdat_id: NS00067884
pubchem_cid: 161306
inchi:
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-15-13-16-18(21)19(17)20(22)23/h13,15-16,21H,2-12,14H2,1H3,(H,22,23)


