# cl_id

name: Cymal-6
cas: 228579-27-9
dtxsid: DTXSID20332259
formula: C24H44O11
inchikey: WUCWJXGMSXTDAV-QKMCSOCLSA-N
norman_susdat_id: NS00071306
pubchem_cid: 447688
smiles: OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](OCCCCCCC3CCCCC3)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C24H44O11/c25-12-15-17(27)18(28)20(30)24(33-15)35-22-16(13-26)34-23(21(31)19(22)29)32-11-7-2-1-4-8-14-9-5-3-6-10-14/h14-31H,1-13H2/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1


name: Anisomycin
cas: 22862-76-6
chebiid: CHEBI:94762
chemspiderid: 29260
dtxsid: DTXSID5040966
formula: C14H19N1O4
inchikey: YKJYKKNCCRKFSL-BFHYXJOUSA-N
norman_susdat_id: NS00011714
pubchem_cid: 31549
smiles: COc1ccc(C[C@@H]2NC[C@@H](O)[C@@H]2OC(C)=O)cc1
inchi:
InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m0/s1


name: 3-(((2-Hydroxyethyl)amino)carbonyl)-5-nitrobenzoic acid
cas: 22871-56-3
chemspiderid: 81126
dtxsid: DTXSID70177410
formula: C10H10N2O6
inchikey: CPXQPGXUDGWVSK-UHFFFAOYSA-N
norman_susdat_id: NS00021879
pubchem_cid: 89873
smiles: OCCNC(=O)c1cc(cc(c1)C(=O)O)[N+](=O)[O-]
inchi:
InChI=1S/C10H10N2O6/c13-2-1-11-9(14)6-3-7(10(15)16)5-8(4-6)12(17)18/h3-5,13H,1-2H2,(H,11,14)(H,15,16)


name: 3-Amino-5-[(2-hydroxyethyl)carbamoyl]-2,4,6-triiodobenzoic acid
cas: 22871-58-5
chemspiderid: 14420880
dtxsid: DTXSID50599818
formula: C10H9I3N2O4
inchikey: WGLWRCXOMJLZME-UHFFFAOYSA-N
norman_susdat_id: NS00003775
pubchem_cid: 19777538
smiles: Nc1c(I)c(C(O)=O)c(I)c(C(=O)NCCO)c1I
inchi:
InChI=1S/C10H9I3N2O4/c11-5-3(9(17)15-1-2-16)6(12)8(14)7(13)4(5)10(18)19/h16H,1-2,14H2,(H,15,17)(H,18,19)


name: Acetamide, N-[7-hydroxy-8-[(2-hydroxy-5-nitrophenyl)azo]-1-naphthalenyl]-
cas: 22873-89-8
chemspiderid: 7850523
dtxsid: DTXSID9066833
formula: C18H14N4O5
inchikey: IIDKVSFYSHLRDX-UHFFFAOYSA-N
norman_susdat_id: NS00027281
pubchem_cid: NA
smiles: CC(=O)Nc1cccc2c1/C(=N/Nc1c(O)ccc(c1)[N+](=O)[O-])/C(=O)C=C2
inchi:
InChI=1S/C18H14N4O5/c1-10(23)19-13-4-2-3-11-5-7-16(25)18(17(11)13)21-20-14-9-12(22(26)27)6-8-15(14)24/h2-9,20,24H,1H3,(H,19,23)/b21-18+


name: Famprofazone
cas: 22881-35-2
chebiid: CHEBI:93799
chemspiderid: 3209
dtxsid: DTXSID3045435
formula: C24H31N3O1
inchikey: GNUXVOXXWGNPIV-UHFFFAOYSA-N
norman_susdat_id: NS00003719
pubchem_cid: 3326
smiles: CC(C)c1c(CN(C)C(C)Cc2ccccc2)n(C)n(-c2ccccc2)c1=O
inchi:
InChI=1S/C24H31N3O/c1-18(2)23-22(17-25(4)19(3)16-20-12-8-6-9-13-20)26(5)27(24(23)28)21-14-10-7-11-15-21/h6-15,18-19H,16-17H2,1-5H3


name: Sodium 2-hydroxy-3-sulphonatopropyl oleate
cas: 22882-36-6
formula: C21H40O6S
inchikey: JBTHOQONVKLRAF-KVVVOXFISA-M
norman_susdat_id: NS00047348
pubchem_cid: NA
smiles: [Na+].O=C(OCC(O)CS(=O)(=O)[O-])CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C21H40O6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28(24,25)26;/h9-10,20,22H,2-8,11-19H2,1H3,(H,24,25,26);/q;+1/p-1


name: 9,12-Octadecadienoic acid (9Z,12Z)-, 1-methylethyl ester
cas: 22882-95-7
chemspiderid: 4509689
dtxsid: DTXSID4066834
formula: C21H38O2
inchikey: XEIOPEQGDSYOIH-MURFETPASA-N
norman_susdat_id: NS00013787
pubchem_cid: 5352860
smiles: CCCCC/C=CCC=C/CCCCCCCC(=O)OC(C)C
inchi:
InChI=1S/C21H38O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(22)23-20(2)3/h8-9,11-12,20H,4-7,10,13-19H2,1-3H3/b9-8-,12-11-


name: Isobutyltriphenylphosphonium bromide
cas: 22884-29-3
dtxsid: DTXSID10945559
formula: C22H24P
inchikey: VIKPDPHNYHUZQW-UHFFFAOYSA-M
norman_susdat_id: NS00048780
pubchem_cid: 2724571
smiles: [Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CC(C)C
inchi:
InChI=1/C22H24P.BrH/c1-19(2)18-23(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;/h3-17,19H,18H2,1-2H3;1H/q+1;/p-1


name: Cytidylyl-(5'<U+2192>2')-uridine
cas: 22886-34-6
formula: C18H24N5O13P
inchikey: LMZJQZFJJNJBSQ-UHFFFAOYSA-N
norman_susdat_id: NS00047349
pubchem_cid: NA
smiles: O=C1N=C(N)C=CN1C2OC(COP(=O)(O)OC3C(O)C(OC3N4C=CC(=O)NC4=O)CO)C(O)C2O
inchi:
InChI=1/C18H24N5O13P/c19-9-1-3-22(17(29)20-9)15-13(28)11(26)8(35-15)6-33-37(31,32)36-14-12(27)7(5-24)34-16(14)23-4-2-10(25)21-18(23)30/h1-4,7-8,11-16,24,26-28H,5-6H2,(H,31,32)(H2,19,20,29)(H,21,25,30)


name: Cytidylyl(2'<U+2192>5')adenosine
cas: 22886-36-8
formula: C19H25N8O11P
inchikey: URZNAIZQTLTEJZ-UHFFFAOYSA-N
norman_susdat_id: NS00048049
pubchem_cid: 5236784
smiles: O=C1N=C(N)C=CN1C2OC(COP(=O)(O)OC3C(O)C(OC3N4C=NC=5C(=NC=NC54)N)CO)C(O)C2O
inchi:
InChI=1/C19H25N8O11P/c20-9-1-2-26(19(32)25-9)17-13(31)11(29)8(37-17)4-35-39(33,34)38-14-12(30)7(3-28)36-18(14)27-6-24-10-15(21)22-5-23-16(10)27/h1-2,5-8,11-14,17-18,28-31H,3-4H2,(H,33,34)(H2,20,25,32)(H2,21,22,23)


name: Cytidylyl-(5'<U+2192>2')-guanosine
cas: 22886-43-7
formula: C19H25N8O12P
inchikey: UMZCUWSFHYADTH-UHFFFAOYSA-N
norman_susdat_id: NS00047368
pubchem_cid: NA
smiles: O=C1N=C(N)C=CN1C2OC(COP(=O)(O)OC3C(O)C(OC3N4C=NC=5C(=O)NC(=NC54)N)CO)C(O)C2O
inchi:
InChI=1/C19H25N8O12P/c20-8-1-2-26(19(33)23-8)16-12(31)10(29)7(38-16)4-36-40(34,35)39-13-11(30)6(3-28)37-17(13)27-5-22-9-14(27)24-18(21)25-15(9)32/h1-2,5-7,10-13,16-17,28-31H,3-4H2,(H,34,35)(H2,20,23,33)(H3,21,24,25,32)


cas: 22887-42-9
formula: C28H39NO6
inchikey: CCXTYBZGIOXYJL-DYBIKGQXSA-N
norman_susdat_id: NS00048114
pubchem_cid: 76958678
smiles: Cl.O=C1C=CC2(C(=C1)CCC3C4CC(=C)C(O)(C(=O)COC(=O)CN(CC)CC)C4(C)CC(O)C32)C
name:
(11ß)-11,17-dihydroxy-16-methylene-3,20-dioxopregna-1,4-dien-21-yl N,N-diethylaminoacetate hydrochloride

inchi:
InChI=1/C28H39NO6.ClH/c1-6-29(7-2)15-24(33)35-16-23(32)28(34)17(3)12-21-20-9-8-18-13-19(30)10-11-26(18,4)25(20)22(31)14-27(21,28)5;/h10-11,13,20-22,25,31,34H,3,6-9,12,14-16H2,1-2,4-5H3;1H


name: Silybin
cas: 22888-70-6
chebiid: CHEBI:125451
chemspiderid: 5024
dtxsid: DTXSID8026018
formula: C25H22O10
inchikey: SEBFKMXJBCUCAI-UHFFFAOYSA-N
norman_susdat_id: NS00008723
pubchem_cid: 5213
smiles: COc1cc(ccc1O)C1Oc2cc(ccc2OC1CO)C1Oc2cc(O)cc(O)c2C(=O)C1O
inchi:
InChI=1S/C25H22O10/c1-32-17-6-11(2-4-14(17)28)24-20(10-26)33-16-5-3-12(7-18(16)34-24)25-23(31)22(30)21-15(29)8-13(27)9-19(21)35-25/h2-9,20,23-29,31H,10H2,1H3


name: N-[3-(dimethylamino)propyl]dodecanamide monoacetate
cas: 22890-14-8
formula: C17H36N2O.C2H4O2
inchikey: ITEOMQZUDMOKMS-UHFFFAOYSA-N
norman_susdat_id: NS00083017
smiles: CCCCCCCCCCCC(=O)NCCCN(C)C.CC(=O)O
inchi:
InChI=1/C17H36N2O.C2H4O2/c1-4-5-6-7-8-9-10-11-12-14-17(20)18-15-13-16-19(2)3;1-2(3)4/h4-16H2,1-3H3,(H,18,20);1H3,(H,3,4)


name: Trimethyl-3-[(1-oxooctadecyl)amino]propylammonium chloride
cas: 22890-18-2
formula: C24H51N2O.Cl
inchikey: MBNPWFXZGJXGFP-UHFFFAOYSA-N
norman_susdat_id: NS00083310
smiles: [Cl-].CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)C
inchi:
InChI=1/C24H50N2O.ClH/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;/h5-23H2,1-4H3;1H


cas: 22907-02-4
dtxsid: DTXSID20945580
formula: C22H29ClN4O
inchikey: RQIYYGPYVAXLEK-UHFFFAOYSA-N
norman_susdat_id: NS00048163
pubchem_cid: 6431742
smiles: Cl.Cl.ClC=1C=CC=2C(=NC=3C=CC(=NC3C2NC(C)CCCN(CC)CC)OC)C1
name:
N4-(7-chloro-2-methoxybenzo[b]-1,5-naphthyridin-10-yl)-N1,N1-diethylpentane-1,4-diamine dihydrochloride

inchi:
InChI=1/C22H29ClN4O.2ClH/c1-5-27(6-2)13-7-8-15(3)24-21-17-10-9-16(23)14-19(17)25-18-11-12-20(28-4)26-22(18)21;;/h9-12,14-15H,5-8,13H2,1-4H3,(H,24,25);2*1H


name: 6-(8Z)-Pentadecenylsalicylic acid
cas: 22910-60-7
chebiid: CHEBI:5354
chemspiderid: 4445152
dtxsid: DTXSID50872875
formula: C22H34O3
inchikey: YXHVCZZLWZYHSA-FPLPWBNLSA-N
norman_susdat_id: NS00094737
pubchem_cid: 5281858
smiles: CCCCCCC=C/CCCCCCCC1=C(C(O)=O)C(O)=CC=C1
inchi:
InChI=1S/C22H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-17-15-18-20(23)21(19)22(24)25/h7-8,15,17-18,23H,2-6,9-14,16H2,1H3,(H,24,25)/b8-7-


name: 5-(8Z-Pentadecenyl)resorcinol
cas: 22910-86-7
chebiid: CHEBI:3104
chemspiderid: 4445147
dtxsid: DTXSID90872874
formula: C21H34O2
inchikey: TUGAUFMQYWZJAB-FPLPWBNLSA-N
norman_susdat_id: NS00094855
pubchem_cid: 5281852
smiles: CCCCCCC=C/CCCCCCCC1=CC(O)=CC(O)=C1
inchi:
InChI=1S/C21H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-20(22)18-21(23)17-19/h7-8,16-18,22-23H,2-6,9-15H2,1H3/b8-7-


name: Miconazole
cas: 22916-47-8
chebiid: CHEBI:82892
chemspiderid: 4044
dtxsid: DTXSID6023319
formula: C18H14Cl4N2O1
inchikey: BYBLEWFAAKGYCD-UHFFFAOYSA-N
norman_susdat_id: NS00004552
pubchem_cid: 4189
smiles: ClC1=CC=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C(Cl)=C1
eea_notation: CAS_22916-47-8
inchi:
InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2


name: Disodium 7-hydroxy-4-methylcoumarinyl phosphate
cas: 22919-26-2
dtxsid: DTXSID3066841
formula: C10H9O7P
inchikey: GTZNHJXSOQCRJA-UHFFFAOYSA-L
norman_susdat_id: NS00047414
pubchem_cid: 21116532
smiles: [Na+].[Na+].O=C1OC=2C=C(O)C=CC2C(=C1OP(=O)([O-])[O-])C
inchi:
InChI=1/C10H9O7P.2Na/c1-5-7-3-2-6(11)4-8(7)16-10(12)9(5)17-18(13,14)15;;/h2-4,11H,1H3,(H2,13,14,15);;/q;2*+1/p-2


name: 3-(10,11-Dihydro-5H-dibenzo[b,f]azepin-5-yl)-N,2-dimethylpropan-1-amine
cas: 2293-21-2
chemspiderid: 141149
dtxsid: DTXSID70945611
formula: C19H24N2
inchikey: FUEUKSCRQNPXKS-UHFFFAOYSA-N
norman_susdat_id: NS00015481
pubchem_cid: 160632
smiles: CC(CNC)CN1C2=CC=CC=C2CCC3=CC=CC=C31
inchi:
InChI=1S/C19H24N2/c1-15(13-20-2)14-21-18-9-5-3-7-16(18)11-12-17-8-4-6-10-19(17)21/h3-10,15,20H,11-14H2,1-2H3


name: Golotimod
cas: 229305-39-9
dtxsid: DTXSID10177474
formula: C16H19N3O5
inchikey: CATMPQFFVNKDEY-YPMHNXCESA-N
norman_susdat_id: NS00068645
pubchem_cid: 6992140
smiles: N[C@H](CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)C(=O)O
inchi:
InChI=1S/C16H19N3O5/c17-11(15(21)22)5-6-14(20)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,20)(H,21,22)(H,23,24)/t11-,13+/m1/s1


name: 4'-Hydroxy Aceclofenac
cas: 229308-90-1
chemspiderid: 8018014
dtxsid: DTXSID20431711
formula: C16H13Cl2N1O5
inchikey: BTDFYMBLEDMWOK-UHFFFAOYSA-N
norman_susdat_id: NS00040767
pubchem_cid: 9842299
smiles: OC(=O)COC(=O)Cc1ccccc1Nc1c(Cl)cc(O)cc1Cl
inchi:
InChI=1S/C16H13Cl2NO5/c17-11-6-10(20)7-12(18)16(11)19-13-4-2-1-3-9(13)5-15(23)24-8-14(21)22/h1-4,6-7,19-20H,5,8H2,(H,21,22)


name: 4-acetyl-4-phenyl-1-(p-tolylsulphonyl)piperidine
cas: 22940-55-2
dtxsid: DTXSID80945622
formula: C20H23NO3S
inchikey: YNLNHMCVQZLBSO-UHFFFAOYSA-N
norman_susdat_id: NS00048166
pubchem_cid: 20644460
smiles: O=C(C)C1(C=2C=CC=CC2)CCN(CC1)S(=O)(=O)C3=CC=C(C=C3)C
inchi:
InChI=1/C20H23NO3S/c1-16-8-10-19(11-9-16)25(23,24)21-14-12-20(13-15-21,17(2)22)18-6-4-3-5-7-18/h3-11H,12-15H2,1-2H3


name: 4-Benzoyl-4-phenyl-1-(p-tolylsulphonyl)piperidine
cas: 22940-59-6
chemspiderid: 80960
dtxsid: DTXSID60177484
formula: C25H25N1O3S1
inchikey: NYVUCHSRPCGTTA-UHFFFAOYSA-N
norman_susdat_id: NS00027304
pubchem_cid: 89911
smiles: Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)(C(=O)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C25H25NO3S/c1-20-12-14-23(15-13-20)30(28,29)26-18-16-25(17-19-26,22-10-6-3-7-11-22)24(27)21-8-4-2-5-9-21/h2-15H,16-19H2,1H3


name: Benzenamine, 4-(triphenylmethyl)-
cas: 22948-06-7
chemspiderid: 81162
dtxsid: DTXSID8066844
formula: C25H21N1
inchikey: XYHDHXBLSLSXSR-UHFFFAOYSA-N
norman_susdat_id: NS00027306
pubchem_cid: 89914
smiles: Nc1ccc(cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C25H21N/c26-24-18-16-23(17-19-24)25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-19H,26H2


name: Azidomorphine
cas: 22952-87-0
chemspiderid: 4590009
dtxsid: DTXSID90177497
formula: C17H20N4O2
inchikey: KZOKOEQTKWBKOK-XHQKLZHNSA-N
norman_susdat_id: NS00027308
pubchem_cid: 5488848
smiles: CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@H]4N=[N+]=[N-])ccc5O
inchi:
InChI=1S/C17H20N4O2/c1-21-7-6-17-10-3-4-11(19-20-18)16(17)23-15-13(22)5-2-9(14(15)17)8-12(10)21/h2,5,10-12,16,22H,3-4,6-8H2,1H3/t10-,11+,12+,16-,17-/m0/s1


name: (17ß)-17-methyl-2'H-androst-2-eno[3,2-c]pyrazol-17-ol
cas: 22957-48-8
dtxsid: DTXSID30945652
formula: C21H32N2O
inchikey: QBCSWYQAQBHPRM-UHFFFAOYSA-N
norman_susdat_id: NS00048167
pubchem_cid: 90852
smiles: OC1(C)CCC2C3CCC4N5NC=CC5=CCC4(C)C3CCC21C
inchi:
InChI=1/C21H32N2O/c1-19-10-6-14-9-13-22-23(14)18(19)5-4-15-16(19)7-11-20(2)17(15)8-12-21(20,3)24/h6,9,13,15-18,22,24H,4-5,7-8,10-12H2,1-3H3


cas: 22961-46-2
formula: C19H12Cl2N8O9S2
inchikey: RHHJXTGDVDXBLV-UHFFFAOYSA-K
norman_susdat_id: NS00047475
pubchem_cid: 11970404
name:
Trisodium 4-[[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C19H12Cl2N8O9S2.3Na/c20-17-23-18(21)25-19(24-17)22-8-1-6-11(12(7-8)40(36,37)38)26-27-13-14(16(31)32)28-29(15(13)30)9-2-4-10(5-3-9)39(33,34)35;;;/h1-7,13H,(H,31,32)(H,33,34,35)(H,36,37,38)(H,22,23,24,25);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=NN(C(=O)C1N=NC2=CC=C(C=C2S(=O)(=O)[O-])NC=3N=C(Cl)N=C(Cl)N3)C4=CC=C(C=C4)S(=O)(=O)[O-]


name: Androst-5-ene-(3ß,17ß)-diol dipropionate
cas: 2297-30-5
dtxsid: DTXSID50878670
formula: C25H38O4
inchikey: ZDDFOEZPFDWEQS-UHFFFAOYSA-N
norman_susdat_id: NS00049898
pubchem_cid: 546829
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C(OC(=O)CC)CCC34)C2(C)CC1)CC
inchi:
InChI=1/C25H38O4/c1-5-22(26)28-17-11-13-24(3)16(15-17)7-8-18-19-9-10-21(29-23(27)6-2)25(19,4)14-12-20(18)24/h7,17-21H,5-6,8-15H2,1-4H3


name: CAY10429
cas: 22972-55-0
chemspiderid: 81197
formula: C21H30O2
inchikey: YWEZXUNAYVCODW-RBUKOAKNSA-N
norman_susdat_id: NS00016779
pubchem_cid: 89949
smiles: CCCCCC1=CC(=CC(=C1C2C=C(CCC2C(=C)C)C)O)O
inchi:
InChI=1S/C21H30O2/c1-5-6-7-8-16-12-17(22)13-20(23)21(16)19-11-15(4)9-10-18(19)14(2)3/h11-13,18-19,22-23H,2,5-10H2,1,3-4H3/t18-,19+/m0/s1


name: Uridylyl-(2'<U+2192>5')-guanosine
cas: 22976-80-3
formula: C19H24N7O13P
inchikey: DFYLLEBFVZTKHD-UHFFFAOYSA-N
norman_susdat_id: NS00048184
pubchem_cid: NA
smiles: O=C1C=CN(C(=O)N1)C2OC(CO)C(O)C2OP(=O)(O)OCC3OC(N4C=NC=5C(=O)NC(=NC54)N)C(O)C3O
inchi:
InChI=1/C19H24N7O13P/c20-18-23-14-9(15(32)24-18)21-5-26(14)16-12(31)10(29)7(38-16)4-36-40(34,35)39-13-11(30)6(3-27)37-17(13)25-2-1-8(28)22-19(25)33/h1-2,5-7,10-13,16-17,27,29-31H,3-4H2,(H,34,35)(H,22,28,33)(H3,20,23,24,32)


name: (isopropyl)[(1,2,3,4-tetrahydro-6-methyl-7-nitro-2-quinolyl)methyl]ammonium methanesulphonate
cas: 22982-78-1
dtxsid: DTXSID40945683
formula: C14H22N3O2
inchikey: CPELYVXNHLDWEC-UHFFFAOYSA-N
norman_susdat_id: NS00047476
pubchem_cid: NA
smiles: O=[N+]([O-])C1=CC=2NC(CCC2C=C1C)C[NH2+]C(C)C.O=S(=O)([O-])C
inchi:
InChI=1/C14H21N3O2.CH4O3S/c1-9(2)15-8-12-5-4-11-6-10(3)14(17(18)19)7-13(11)16-12;1-5(2,3)4/h6-7,9,12,15-16H,4-5,8H2,1-3H3;1H3,(H,2,3,4)


name: N-[(1-acetyl-1,2,3,4-tetrahydro-6-methyl-2-quinolyl)methyl]-N-isopropylacetamide
cas: 22982-86-1
dtxsid: DTXSID00945684
formula: C18H26N2O2
inchikey: VBLMGOZZZOXCTC-UHFFFAOYSA-N
norman_susdat_id: NS00047477
pubchem_cid: 90863
smiles: O=C(N1C2=CC=C(C=C2CCC1CN(C(=O)C)C(C)C)C)C
inchi:
InChI=1/C18H26N2O2/c1-12(2)19(14(4)21)11-17-8-7-16-10-13(3)6-9-18(16)20(17)15(5)22/h6,9-10,12,17H,7-8,11H2,1-5H3


name: Tritriacontan-17-one
cas: 22986-69-2
dtxsid: DTXSID10177530
formula: C33H66O
inchikey: ODRZDGZUYNRFMX-UHFFFAOYSA-N
norman_susdat_id: NS00048222
pubchem_cid: 31592
smiles: O=C(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C33H66O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33(34)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3


name: Fluacrypyrim
cas: 229977-93-9
chebiid: CHEBI:38591
chemspiderid: 8129795
dtxsid: DTXSID4058027
formula: C20H21F3N2O5
inchikey: MXWAGQASUDSFBG-RVDMUPIBSA-N
norman_susdat_id: NS00099455
pubchem_cid: 9954185
smiles: CC(C)Oc1nc(cc(n1)OCc2ccccc2/C(=COC)/C(=O)OC)C(F)(F)F
inchi:
InChI=1S/C20H21F3N2O5/c1-12(2)30-19-24-16(20(21,22)23)9-17(25-19)29-10-13-7-5-6-8-14(13)15(11-27-3)18(26)28-4/h5-9,11-12H,10H2,1-4H3/b15-11+


name: Phenol, 2,4-bis[1-(4-hydroxyphenyl)-1-methylethyl]-
cas: 2300-15-4
chemspiderid: 67846
dtxsid: DTXSID8062313
formula: C24H26O3
inchikey: VPVTXVHUJHGOCM-UHFFFAOYSA-N
norman_susdat_id: NS00027318
pubchem_cid: 75304
smiles: CC(C)(c1ccc(O)cc1)c1cc(c(O)cc1)C(C)(C)c1ccc(O)cc1
inchi:
InChI=1S/C24H26O3/c1-23(2,16-5-10-19(25)11-6-16)18-9-14-22(27)21(15-18)24(3,4)17-7-12-20(26)13-8-17/h5-15,25-27H,1-4H3


name: 4,4',6,6'-tetrabromo-2'-hydroxy[1,1'-biphenyl]-2-yl dihydrogen phosphate
cas: 23015-40-9
dtxsid: DTXSID90177573
formula: C12H7Br4O5P
inchikey: GGGATFRVOBEKQO-UHFFFAOYSA-N
norman_susdat_id: NS00048225
pubchem_cid: 89962
smiles: O=P(O)(O)OC1=CC(Br)=CC(Br)=C1C2=C(Br)C=C(Br)C=C2O
inchi:
InChI=1/C12H7Br4O5P/c13-5-1-7(15)11(9(17)3-5)12-8(16)2-6(14)4-10(12)21-22(18,19)20/h1-4,17H,(H2,18,19,20)


name: Disodium 4-[(2-hydroxy-6-sulphonatonaphthyl)azo]naphthalenesulphonate
cas: 2302-96-7
dtxsid: DTXSID3062314
formula: C20H14N2O7S2
inchikey: YCDHVKWTZBVDKD-UHFFFAOYSA-L
norman_susdat_id: NS00048636
pubchem_cid: 16814
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC=C2C(C=CC(O)=C2N=NC3=CC=C(C=4C=CC=CC34)S(=O)(=O)[O-])=C1
inchi:
InChI=1/C20H14N2O7S2.2Na/c23-18-9-5-12-11-13(30(24,25)26)6-7-14(12)20(18)22-21-17-8-10-19(31(27,28)29)16-4-2-1-3-15(16)17;;/h1-11,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2


name: Disodium 8,8'-[[1,1'-biphenyl]-4,4'-diylbis(azo)]bis(7-hydroxynaphthalene-1-sulphonate)
cas: 2302-97-8
dtxsid: DTXSID8062315
formula: C32H22N4O8S2
inchikey: QOSNOLXFOYXABU-UHFFFAOYSA-L
norman_susdat_id: NS00048637
pubchem_cid: NA
inchi:
InChI=1/C32H22N4O8S2.2Na/c37-25-17-11-21-3-1-5-27(45(39,40)41)29(21)31(25)35-33-23-13-7-19(8-14-23)20-9-15-24(16-10-20)34-36-32-26(38)18-12-22-4-2-6-28(30(22)32)46(42,43)44;;/h1-18,37-38H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C2C=CC(O)=C(N=NC=3C=CC(=CC3)C4=CC=C(N=NC5=C(O)C=CC6=CC=CC(=C65)S(=O)(=O)[O-])C=C4)C21


name: Physalin A
cas: 23027-91-0
chemspiderid: 44577487
formula: C28H30O10
inchikey: VELDODQHYQSJOF-RPKVKFPNSA-N
norman_susdat_id: NS00093768
pubchem_cid: 24710917
smiles:
C[C@]12C[C@H]([C@]3([C@]45[C@H]1C(=O)[C@](O4)([C@H]6[C@H](CC[C@@]5(C(=O)O3)O)[C@@]7(C(=C[C@H]6O)CC=CC7=O)C)O)C)OC(=O)C2=C


name: Monoperfluorooctyl itaconate
cas: 230295-05-3
chemspiderid: 2056633
dtxsid: DTXSID20379982
formula: C13H5F17O4
inchikey: OHNVFWYDJQNNQO-UHFFFAOYSA-N
norman_susdat_id: NS00018856
pubchem_cid: 2776314
smiles: OC(=O)C(=C)CC(=O)OC(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/C13H5F17O4/c1-3(5(32)33)2-4(31)34-13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28/h1-2H2,(H,32,33)


name: 4-Vinylbenzyl perfluorooctanoate
cas: 230295-06-4
chemspiderid: 2058342
dtxsid: DTXSID50380763
formula: C17H9F15O2
inchikey: YWVKVBIQFSFMMV-UHFFFAOYSA-N
norman_susdat_id: NS00018857
pubchem_cid: 2778077
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)OCC1=CC=C(C=C)C=C1
inchi:
InChI=1S/C17H9F15O2/c1-2-8-3-5-9(6-4-8)7-34-10(33)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)32/h2-6H,1,7H2


name: 1-Benzoyl-3,5-bis(perfluorohexyl)pyrazole
cas: 230295-10-0
chemspiderid: 2017659
dtxsid: DTXSID80371063
formula: C22H6F26N2O1
inchikey: IPYGQAQYTYRSSI-UHFFFAOYSA-N
norman_susdat_id: NS00018858
pubchem_cid: 2735979
inchi:
InChI=1S/C22H6F26N2O/c23-11(24,13(27,28)15(31,32)17(35,36)19(39,40)21(43,44)45)8-6-9(50(49-8)10(51)7-4-2-1-3-5-7)12(25,26)14(29,30)16(33,34)18(37,38)20(41,42)22(46,47)48/h1-6H

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=NN(C(=O)C2=CC=CC=C2)C(=C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Phenol, 4,4'-(1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[3-methyl-
cas: 2303-01-7
chemspiderid: 2006272
dtxsid: DTXSID3062316
formula: C21H18O5S1
inchikey: OLQIKGSZDTXODA-UHFFFAOYSA-N
norman_susdat_id: NS00019378
pubchem_cid: 73030
smiles: CC1=C(C=CC(O)=C1)C1(OS(=O)(=O)C2=C1C=CC=C2)C1=C(C)C=C(O)C=C1
inchi:
InChI=1S/C21H18O5S/c1-13-11-15(22)7-9-17(13)21(18-10-8-16(23)12-14(18)2)19-5-3-4-6-20(19)27(24,25)26-21/h3-12,22-23H,1-2H3


name: Terbutaline hemisulfate
cas: 23031-32-5
chebiid: CHEBI:9450
dtxsid: DTXSID3045437
formula: C24H40N2O10S
inchikey: KFVSLSTULZVNPG-UHFFFAOYSA-N
norman_susdat_id: NS00076273
smiles: OS(O)(=O)=O.CC(C)(C)NCC(O)C1=CC(O)=CC(O)=C1.CC(C)(C)NCC(O)C1=CC(O)=CC(O)=C1
inchi:
InChI=1/2C12H19NO3.H2O4S/c2*1-12(2,3)13-7-11(16)8-4-9(14)6-10(15)5-8;1-5(2,3)4/h2*4-6,11,13-16H,7H2,1-3H3;(H2,1,2,3,4)


name: Prallethrin
cas: 23031-36-9
chemspiderid: 29324
dtxsid: DTXSID0032572
formula: C19H24O3
inchikey: SMKRKQBMYOFFMU-DRXWIORDSA-N
norman_susdat_id: NS00008864
pubchem_cid: 31621
smiles: CC(C)=C[C@H]1[C@H](C(=O)OC2CC(=O)C(CC#C)=C2C)C1(C)C
inchi:
InChI=1S/C19H24O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h1,9,14,16-17H,8,10H2,2-6H3/t14-,16?,17+/m0/s1


name: N2-[(phenylmethoxy)carbonyl]-L-asparagine
cas: 2304-96-3
dtxsid: DTXSID90883824
formula: C12H14N2O5
inchikey: FUCKRCGERFLLHP-VIFPVBQESA-N
norman_susdat_id: NS00049284
pubchem_cid: 75314
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)O)CC(=O)N
inchi:
InChI=1/C12H14N2O5/c13-10(15)6-9(11(16)17)14-12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,13,15)(H,14,18)(H,16,17)


name: N5-[imino(nitroamino)methyl]-N2-[(phenylmethoxy)carbonyl]-L-ornithine
cas: 2304-98-5
dtxsid: DTXSID20945722
formula: C14H20N5O6
inchikey: BZPCSFNCKORLQG-NSHDSACASA-N
norman_susdat_id: NS00049285
pubchem_cid: NA
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)O)CCCNC(=N)N[N+](=O)[O-]
inchi:
InChI=1/C14H19N5O6/c15-13(18-19(23)24)16-8-4-7-11(12(20)21)17-14(22)25-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,17,22)(H,20,21)(H3,15,16,18)


name: Lofepramine
cas: 23047-25-8
chebiid: CHEBI:47782
chemspiderid: 3810
dtxsid: DTXSID2023220
formula: C26H27Cl1N2O1
inchikey: SAPNXPWPAUFAJU-UHFFFAOYSA-N
norman_susdat_id: NS00004691
pubchem_cid: 3947
smiles: CN(CCCN1c2ccccc2CCc2ccccc12)CC(=O)c1ccc(Cl)cc1
inchi:
InChI=1S/C26H27ClN2O/c1-28(19-26(30)22-13-15-23(27)16-14-22)17-6-18-29-24-9-4-2-7-20(24)11-12-21-8-3-5-10-25(21)29/h2-5,7-10,13-16H,6,11-12,17-19H2,1H3


name: Desimipramine acetate
cas: 23047-26-9
chemspiderid: 168001
dtxsid: DTXSID40943129
formula: C20H24N2O
inchikey: CNKJDYQMSWTPRH-UHFFFAOYSA-N
norman_susdat_id: NS00114010
pubchem_cid: 193590
smiles: CC(=O)N(C)CCCN1C2=CC=CC=C2CCC3=CC=CC=C31
inchi:
InChI=1S/C20H24N2O/c1-16(23)21(2)14-7-15-22-19-10-5-3-8-17(19)12-13-18-9-4-6-11-20(18)22/h3-6,8-11H,7,12-15H2,1-2H3


name: 9,10-Anthracenedione, 1-amino-4-[(4-methoxyphenyl)amino]-
cas: 23060-42-6
chemspiderid: 81231
dtxsid: DTXSID7066851
formula: C21H16N2O3
inchikey: MMFCPKYGMSQKCQ-UHFFFAOYSA-N
norman_susdat_id: NS00027339
pubchem_cid: 89984
smiles: COc1ccc(Nc2ccc(N)c3c2C(=O)c2c(cccc2)C3=O)cc1
inchi:
InChI=1S/C21H16N2O3/c1-26-13-8-6-12(7-9-13)23-17-11-10-16(22)18-19(17)21(25)15-5-3-2-4-14(15)20(18)24/h2-11,23H,22H2,1H3


name: 1-(7,8-Dinitro-1,2,4,5-tetrahydro-3H-1,5-methano-3-benzazepin-3-yl)-2,2,2-trifluoroethan-1-one
cas: 230615-59-5
chemspiderid: 10608834
dtxsid: DTXSID90619029
formula: C13H10F3N3O5
inchikey: BDTXJBWOCIFUMR-UHFFFAOYSA-N
norman_susdat_id: NS00005413
pubchem_cid: 21864744
smiles: [O-][N+](=O)c1cc2C3CC(CN(C3)C(=O)C(F)(F)F)c2cc1[N+]([O-])=O
inchi:
InChI=1S/C13H10F3N3O5/c14-13(15,16)12(20)17-4-6-1-7(5-17)9-3-11(19(23)24)10(18(21)22)2-8(6)9/h2-3,6-7H,1,4-5H2


name: Erythromycin glucoheptonate
cas: 23067-13-2
formula: C37H67NO13.C7H14O8
inchikey: ZXBDZLHAHGPXIG-VTXLJDRKSA-N
norman_susdat_id: NS00093439
inchi:
InChI=1/C37H67NO13.C7H14O8/c1-14-25-37(10,45)30(41)20(4)27(39)18(2)16-35(8,44)32(51-34-28(40)24(38(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26;8-1-2(9)3(10)4(11)5(12)6(13)7(14)15/h18-26,28-32,34,40-42,44-45H,14-17H2,1-13H3;2-6,8-13H,1H2,(H,14,15)

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


name: N,N'-bis(2,4-dinitrophenyl)-L-cysteine
cas: 23067-16-5
dtxsid: DTXSID40945744
formula: C18H16N6O12S2
inchikey: UMGXLEJJKAWCHT-UHFFFAOYSA-N
norman_susdat_id: NS00050238
pubchem_cid: 90876
smiles: O=C(O)C(NC1=CC=C(C=C1N(=O)=O)N(=O)=O)CSSCC(NC2=CC=C(C=C2N(=O)=O)N(=O)=O)C(=O)O
inchi:
InChI=1/C18H16N6O12S2/c25-17(26)13(19-11-3-1-9(21(29)30)5-15(11)23(33)34)7-37-38-8-14(18(27)28)20-12-4-2-10(22(31)32)6-16(12)24(35)36/h1-6,13-14,19-20H,7-8H2,(H,25,26)(H,27,28)


name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecyl 2-methylprop-2-enoate
cas: 23069-32-1
dtxsid: DTXSID70377690
formula: C14H7F19O2
inchikey: NSSMHXVPVQADLY-UHFFFAOYSA-N
norman_susdat_id: NS00111217
smiles: CC(=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14H7F19O2/c1-4(2)5(34)35-3-6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)33/h1,3H2,2H3


name: 11ß,17-dihydroxypregna-1,4-diene-3,20-dione 11-nitrate 17-propionate
cas: 23074-99-9
dtxsid: DTXSID70945752
formula: C24H32NO7
inchikey: AKRDEILXKSRTAT-GNSLJVCWSA-N
norman_susdat_id: NS00050721
pubchem_cid: 21116658
smiles: O=C1C=CC2(C(=C1)CCC3C4CCC(OC(=O)CC)(C(=O)C)C4(C)CC(O[N+](=O)[O-])C32)C
inchi:
InChI=1/C24H31NO7/c1-5-20(28)31-24(14(2)26)11-9-18-17-7-6-15-12-16(27)8-10-22(15,3)21(17)19(32-25(29)30)13-23(18,24)4/h8,10,12,17-19,21H,5-7,9,11,13H2,1-4H3


name: Xylazine hydrochloride
cas: 23076-35-9
chebiid: CHEBI:149566
dtxsid: DTXSID6040248
formula: C12H17ClN2S
inchikey: QYEFBJRXKKSABU-UHFFFAOYSA-N
norman_susdat_id: NS00076362
smiles: Cl.CC1=CC=CC(C)=C1NC1=NCCCS1
inchi:
InChI=1S/C12H16N2S.ClH/c1-9-5-3-6-10(2)11(9)14-12-13-7-4-8-15-12;/h3,5-6H,4,7-8H2,1-2H3,(H,13,14);1H


name: Androst-5-ene-3-ß,17-a-diol
cas: 23-07-7
formula: C19H30O2
inchikey: QADHLRWLCPCEKT-SLMGBJJTSA-N
norman_susdat_id: NS00081792
smiles: C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@]34C)[C@@H]1CC[C@H]2O
inchi:
InChI=1/C19H30O2/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/h3,13-17,20-21H,4-11H2,1-2H3


name: 9H-Carbazole-1-carboxamide, N-(4-chlorophenyl)-2-hydroxy-
cas: 23077-61-4
chemspiderid: 81240
dtxsid: DTXSID2066854
formula: C19H13Cl1N2O2
inchikey: AIYBQVVTHZHPDG-UHFFFAOYSA-N
norman_susdat_id: NS00021065
pubchem_cid: 89993
smiles: Oc1ccc2c3c([nH]c2c1C(=O)Nc1ccc(Cl)cc1)cccc3
inchi:
InChI=1S/C19H13ClN2O2/c20-11-5-7-12(8-6-11)21-19(24)17-16(23)10-9-14-13-3-1-2-4-15(13)22-18(14)17/h1-10,22-23H,(H,21,24)


name: Alpha-bisabolol
cas: 23089-26-1
chebiid: CHEBI:125
dtxsid: DTXSID4042094
formula: C15H26O
inchikey: RGZSQWQPBWRIAQ-CABCVRRESA-N
norman_susdat_id: NS00068750
pubchem_cid: 442343
smiles: CC(C)=CCC[C@](C)(O)[C@@H]1CC=C(C)CC1
inchi:
InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m1/s1


name: Irehine
cas: 2309-39-9
chebiid: CHEBI:5960
chemspiderid: 391281
dtxsid: DTXSID70332027
formula: C23H39NO
inchikey: UJGXCOFZMJCRLN-VBFLNORGSA-N
norman_susdat_id: NS00094785
pubchem_cid: 442978
smiles: C[C@@H]([C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)N(C)C
inchi:
InChI=1S/C23H39NO/c1-15(24(4)5)19-8-9-20-18-7-6-16-14-17(25)10-12-22(16,2)21(18)11-13-23(19,20)3/h6,15,17-21,25H,7-14H2,1-5H3/t15-,17-,18-,19+,20-,21-,22-,23+/m0/s1


name: Propanamide, N-[2-[(2-bromo-6-cyano-4-nitrophenyl)azo]-5-(diethylamino)phenyl]-
cas: 2309-94-6
chemspiderid: 67863
dtxsid: DTXSID7062322
formula: C20H21Br1N6O3
inchikey: IGUCIQQRHZUQKG-UHFFFAOYSA-N
norman_susdat_id: NS00020401
pubchem_cid: 75325
smiles: CCN(CC)c1ccc(N=Nc2c(Br)cc(cc2C#N)[N+](=O)[O-])c(NC(=O)CC)c1
inchi:
InChI=1S/C20H21BrN6O3/c1-4-19(28)23-18-11-14(26(5-2)6-3)7-8-17(18)24-25-20-13(12-22)9-15(27(29)30)10-16(20)21/h7-11H,4-6H2,1-3H3,(H,23,28)/b25-24+


name: Halazepam
cas: 23092-17-3
chebiid: CHEBI:5603
chemspiderid: 29343
dtxsid: DTXSID5023118
formula: C17H12Cl1F3N2O1
inchikey: WYCLKVQLVUQKNZ-UHFFFAOYSA-N
norman_susdat_id: NS00007779
pubchem_cid: 31640
smiles: FC(F)(F)CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1
inchi:
InChI=1S/C17H12ClF3N2O/c18-12-6-7-14-13(8-12)16(11-4-2-1-3-5-11)22-9-15(24)23(14)10-17(19,20)21/h1-8H,9-10H2


name: 2-(3-tert-butylamino-2-hydroxypropoxy)benzonitrile hydrochloride
cas: 23093-74-5
chebiid: CHEBI:31321
formula: C14H20N2O2.ClH
inchikey: RJPWESHPIMRNNM-UHFFFAOYSA-N
norman_susdat_id: NS00084844
smiles: Cl.CC(C)(C)NCC(O)COc1ccccc1C#N
inchi:
InChI=1/C14H20N2O2.ClH/c1-14(2,3)16-9-12(17)10-18-13-7-5-4-6-11(13)8-15;/h4-7,12,16-17H,9-10H2,1-3H3;1H


name: Corilagin
cas: 23094-69-1
chemspiderid: 66248
dtxsid: DTXSID90865084
formula: C27H22O18
inchikey: TUSDEZXZIZRFGC-UHFFFAOYSA-N
norman_susdat_id: NS00018359
pubchem_cid: 5089683
smiles: C1C2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O)O
inchi:
InChI=1S/C27H22O18/c28-9-1-6(2-10(29)16(9)32)24(39)45-27-22(38)23-19(35)13(43-27)5-42-25(40)7-3-11(30)17(33)20(36)14(7)15-8(26(41)44-23)4-12(31)18(34)21(15)37/h1-4,13,19,22-23,27-38H,5H2


name: CP-544439
cas: 230954-09-3
chemspiderid: 8041941
dtxsid: DTXSID8047266
formula: C18H19F1N2O6S1
inchikey: ZBRHTUMWSDPCMI-UHFFFAOYSA-N
norman_susdat_id: NS00015722
pubchem_cid: 9866250
smiles: C1COCCC1(C(=O)NO)NS(=O)(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)F
inchi:
InChI=1S/C18H19FN2O6S/c19-13-1-3-14(4-2-13)27-15-5-7-16(8-6-15)28(24,25)21-18(17(22)20-23)9-11-26-12-10-18/h1-8,21,23H,9-12H2,(H,20,22)


name: 2,2'-((6-Anilino-1,3,5-triazine-2,4-diyl)diimino)bisethanol
cas: 23099-64-1
chemspiderid: 81245
dtxsid: DTXSID80177668
formula: C13H18N6O2
inchikey: JRPIMCOKQWCEAO-UHFFFAOYSA-N
norman_susdat_id: NS00027353
pubchem_cid: 89999
smiles: OCCNc1nc(Nc2ccccc2)nc(NCCO)n1
inchi:
InChI=1S/C13H18N6O2/c20-8-6-14-11-17-12(15-7-9-21)19-13(18-11)16-10-4-2-1-3-5-10/h1-5,20-21H,6-9H2,(H3,14,15,16,17,18,19)


name: Phosalone
cas: 2310-17-0
chebiid: CHEBI:8121
chemspiderid: 4629
dtxsid: DTXSID1024259
formula: C12H15Cl1N1O4P1S2
inchikey: IOUNQDKNJZEDEP-UHFFFAOYSA-N
norman_susdat_id: NS00001562
pubchem_cid: 4793
smiles: CCOP(=S)(OCC)SCn1c2ccc(Cl)cc2oc1=O
eea_notation: CAS_2310-17-0
inchi:
InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3


name: N,N'-ethane-1,2-diylbis[N-(phosphonomethyl)glycine
cas: 2310-83-0
dtxsid: DTXSID2062323
formula: C8H18N2O10P2
inchikey: RXHMBVBZOIQMJR-UHFFFAOYSA-N
norman_susdat_id: NS00048014
pubchem_cid: 75326
smiles: O=C(O)CN(CCN(CC(=O)O)CP(=O)(O)O)CP(=O)(O)O
inchi:
InChI=1/C8H18N2O10P2/c11-7(12)3-9(5-21(15,16)17)1-2-10(4-8(13)14)6-22(18,19)20/h1-6H2,(H,11,12)(H,13,14)(H2,15,16,17)(H2,18,19,20)


name: Sodium N-(phenylsulphonyl)benzenesulphonamidate
cas: 231-01-8
formula: C12H11NO4S2.Na
inchikey: OUDIZSXRGGGZNM-UHFFFAOYSA-N
norman_susdat_id: NS00081765
smiles: [Na]N(S(=O)(=O)c1ccccc1)S(=O)(=O)c2ccccc2
inchi:
InChI=1/C12H10NO4S2.Na/c14-18(15,11-7-3-1-4-8-11)13-19(16,17)12-9-5-2-6-10-12;/h1-10H;/q-1;+1/rC12H10NNaO4S2/c14-13(19(15,16)11-7-3-1-4-8-11)20(17,18)12-9-5-2-6-10-12/h1-10H


name: Acetamide, N-[7-hydroxy-8-[[2-hydroxy-5-[(methylamino)sulfonyl]phenyl]azo]-1-naphthalenyl]-
cas: 23104-75-8
dtxsid: DTXSID7066857
formula: C19H18N4O5S
inchikey: IUSNKBQUMJMAPR-UHFFFAOYSA-N
norman_susdat_id: NS00050736
pubchem_cid: 82975
smiles: O=C(NC=1C=CC=C2C=CC(O)=C(N=NC3=CC(=CC=C3O)S(=O)(=O)NC)C21)C
inchi:
InChI=1/C19H18N4O5S/c1-11(24)21-14-5-3-4-12-6-8-17(26)19(18(12)14)23-22-15-10-13(7-9-16(15)25)29(27,28)20-2/h3-10,20,25-26H,1-2H3,(H,21,24)


name: a-Amanitin
cas: 23109-05-9
dtxsid: DTXSID1036709
formula: C39H54N10O14S
inchikey: CIORWBWIBBPXCG-JZTFPUPKSA-N
norman_susdat_id: NS00066769
pubchem_cid: 73755106
inchi:
InChI=1/C39H54N10O14S/c1-4-16(2)31-36(60)42-11-29(55)43-25-15-64(63)38-21(20-6-5-18(51)7-22(20)46-38)9-23(33(57)41-12-30(56)47-31)44-37(61)32(17(3)27(53)14-50)48-35(59)26-8-19(52)13-49(26)39(62)24(10-28(40)54)45-34(25)58/h5-7,16-17,19,23-27,31-32,46,50-53H,4,8-15H2,1-3H3,(H2,40,54)(H,41,57)(H,42,60)(H,43,55)(H,44,61)(H,45,58)(H,47,56)(H,48,59)

smiles:
O=C(N)CC1NC(=O)C2NC(=O)CNC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C3N(C1=O)CC(O)C3)C(C)C(O)CO)CC=4C=5C=CC(O)=CC5NC4S(=O)C2)C(C)CC


name: Fumagillin
cas: 23110-15-8
chebiid: CHEBI:48635
chemspiderid: 5292885
dtxsid: DTXSID7040736
formula: C26H34O7
inchikey: NGGMYCMLYOUNGM-CSDLUJIJSA-N
norman_susdat_id: NS00011722
pubchem_cid: 6917655
smiles: CC(=CC[C@@H]1[C@@](O1)(C)[C@H]2[C@@H]([C@@H](CC[C@]23CO3)OC(=O)/C=C/C=C/C=C/C=C/C(=O)O)OC)C
inchi:
InChI=1S/C26H34O7/c1-18(2)13-14-20-25(3,33-20)24-23(30-4)19(15-16-26(24)17-31-26)32-22(29)12-10-8-6-5-7-9-11-21(27)28/h5-13,19-20,23-24H,14-17H2,1-4H3,(H,27,28)/b7-5+,8-6+,11-9+,12-10+/t19-,20-,23-,24-,25+,26+/m1/s1


name: Feclobuzone
cas: 23111-34-4
chebiid: CHEBI:135773
dtxsid: DTXSID70177677
formula: C27H25ClN2O4
inchikey: OZKQTMYKYQGCME-UHFFFAOYSA-N
norman_susdat_id: NS00093644
smiles: CCCCC1(COC(=O)C2=CC=C(Cl)C=C2)C(=O)N(N(C1=O)C1=CC=CC=C1)C1=CC=CC=C1
inchi:
InChI=1S/C27H25ClN2O4/c1-2-3-18-27(19-34-24(31)20-14-16-21(28)17-15-20)25(32)29(22-10-6-4-7-11-22)30(26(27)33)23-12-8-5-9-13-23/h4-17H,2-3,18-19H2,1H3


name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-4-(2-furyl)-2,6-dimethyl-, diethyl ester
cas: 23118-56-1
dtxsid: DTXSID20177687
formula: C17H21NO5
inchikey: QEHKCWCTQOSUOP-UHFFFAOYSA-N
norman_susdat_id: NS00096817
smiles: CCOC(=O)C1=C(NC(=C(C1C2=CC=CO2)C(=O)OCC)C)C
inchi:
InChI=1S/C17H21NO5/c1-5-21-16(19)13-10(3)18-11(4)14(17(20)22-6-2)15(13)12-8-7-9-23-12/h7-9,15,18H,5-6H2,1-4H3


name: 3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(2-thienyl)-, diethyl ester
cas: 23118-58-3
chemspiderid: 183299
dtxsid: DTXSID80177688
formula: C17H21N1O4S1
inchikey: JCHPOTOEIRYEPD-UHFFFAOYSA-N
norman_susdat_id: NS00017081
pubchem_cid: 211447
smiles: CCOC(=O)C1=C(NC(=C(C1C2=CC=CS2)C(=O)OCC)C)C
inchi:
InChI=1S/C17H21NO4S/c1-5-21-16(19)13-10(3)18-11(4)14(17(20)22-6-2)15(13)12-8-7-9-23-12/h7-9,15,18H,5-6H2,1-4H3


name: Diisocyanic acid, diester with 4,5-dihexyl-6-(10-hydroxydec-1-enyl)cyclohex-2-ene-1-octanol
cas: 23119-03-1
dtxsid: DTXSID70945797
formula: C38H66N2O2
inchikey: NCFRKFKOROVDAZ-UHFFFAOYSA-N
norman_susdat_id: NS00050241
pubchem_cid: 90881
smiles: O=C=NCCCCCCCCC=CC1C(C=CC(CCCCCC)C1CCCCCC)CCCCCCCCN=C=O
inchi:
InChI=1/C38H66N2O2/c1-3-5-7-19-25-35-29-30-36(26-20-15-12-14-18-24-32-40-34-42)38(37(35)27-21-8-6-4-2)28-22-16-11-9-10-13-17-23-31-39-33-41/h22,28-30,35-38H,3-21,23-27,31-32H2,1-2H3


name: 9,10-Anthracenedione, 4,8-diamino-2-[4-(2-ethoxyethoxy)phenyl]-1,5-dihydroxy-
cas: 23119-35-9
chemspiderid: 81248
dtxsid: DTXSID2066858
formula: C24H22N2O6
inchikey: VNWSDQPCIMGECC-UHFFFAOYSA-N
norman_susdat_id: NS00027357
pubchem_cid: 90002
smiles: CCOCCOc1ccc(cc1)c1c(O)c2c(c(N)c1)C(=O)c1c(O)ccc(N)c1C2=O
inchi:
InChI=1S/C24H22N2O6/c1-2-31-9-10-32-13-5-3-12(4-6-13)14-11-16(26)19-21(22(14)28)24(30)18-15(25)7-8-17(27)20(18)23(19)29/h3-8,11,27-28H,2,9-10,25-26H2,1H3


name: 4-(Dodecyloxy)benzoic acid
cas: 2312-15-4
chemspiderid: 67867
dtxsid: DTXSID40177689
formula: C19H30O3
inchikey: ALQLYJHDBAKLBB-UHFFFAOYSA-N
norman_susdat_id: NS00027358
pubchem_cid: 75330
smiles: CCCCCCCCCCCCOc1ccc(cc1)C(=O)O
inchi:
InChI=1S/C19H30O3/c1-2-3-4-5-6-7-8-9-10-11-16-22-18-14-12-17(13-15-18)19(20)21/h12-15H,2-11,16H2,1H3,(H,20,21)


name: Propargite
cas: 2312-35-8
chebiid: CHEBI:39300
chemspiderid: 4767
dtxsid: DTXSID4024276
formula: C19H26O4S1
inchikey: ZYHMJXZULPZUED-UHFFFAOYSA-N
norman_susdat_id: NS00006783
pubchem_cid: 4936
smiles: CC(C)(C)c1ccc(OC2CCCCC2OS(=O)OCC#C)cc1
eea_notation: CAS_2312-35-8
inchi:
InChI=1S/C19H26O4S/c1-5-14-21-24(20)23-18-9-7-6-8-17(18)22-16-12-10-15(11-13-16)19(2,3)4/h1,10-13,17-18H,6-9,14H2,2-4H3


cas: 2312-88-1
dtxsid: DTXSID30945798
formula: C29H51O5P
inchikey: JUIUXBHZFNHITF-UHFFFAOYSA-N
norman_susdat_id: NS00048757
pubchem_cid: 102783
smiles: O=P(O)(O)OC=1C(=C(C=2OC(C)(CCC2C1C)CCCC(C)CCCC(C)CCCC(C)C)C)C
name:
3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-benzopyran-6-yl dihydrogen phosphate

inchi:
InChI=1/C29H51O5P/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(34-35(30,31)32)23(5)24(6)28(26)33-29/h20-22H,9-19H2,1-8H3,(H2,30,31,32)


name: Lapatinib
cas: 231277-92-2
chebiid: CHEBI:49603
chemspiderid: 181006
dtxsid: DTXSID7046675
formula: C29H26Cl1F1N4O4S1
inchikey: BCFGMOOMADDAQU-UHFFFAOYSA-N
norman_susdat_id: NS00003012
pubchem_cid: 208908
smiles: CS(=O)(=O)CCNCc1ccc(o1)-c1ccc2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c2c1
inchi:
InChI=1S/C29H26ClFN4O4S/c1-40(36,37)12-11-32-16-23-7-10-27(39-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)38-17-19-3-2-4-21(31)13-19/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35)


name: Acetamide, N-[3-[bis[2-(acetyloxy)ethyl]amino]-4-methoxyphenyl]-
cas: 23128-51-0
chemspiderid: 81249
dtxsid: DTXSID8027824
formula: C17H24N2O6
inchikey: AEQXCNSBJJHGGE-UHFFFAOYSA-N
norman_susdat_id: NS00027359
pubchem_cid: 90003
smiles: COc1c(cc(NC(=O)C)cc1)N(CCOC(=O)C)CCOC(=O)C
inchi:
InChI=1S/C17H24N2O6/c1-12(20)18-15-5-6-17(23-4)16(11-15)19(7-9-24-13(2)21)8-10-25-14(3)22/h5-6,11H,7-10H2,1-4H3,(H,18,20)


name: Antioxidant 1098
cas: 23128-74-7
chemspiderid: 81250
dtxsid: DTXSID5044233
formula: C40H64N2O4
inchikey: OKOBUGCCXMIKDM-UHFFFAOYSA-N
norman_susdat_id: NS00002810
pubchem_cid: 90004
smiles: CC(C)(C)c1cc(CCC(=O)NCCCCCCNC(=O)CCc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C
inchi:
InChI=1S/C40H64N2O4/c1-37(2,3)29-23-27(24-30(35(29)45)38(4,5)6)17-19-33(43)41-21-15-13-14-16-22-42-34(44)20-18-28-25-31(39(7,8)9)36(46)32(26-28)40(10,11)12/h23-26,45-46H,13-22H2,1-12H3,(H,41,43)(H,42,44)


name: Etoxazene hydrochloride
cas: 2313-87-3
formula: C14H16N4O.ClH
inchikey: IWHXNINOLLNFGP-UHFFFAOYSA-N
norman_susdat_id: NS00083284
smiles: Cl.CCOc1ccc(cc1)N=Nc2ccc(N)cc2N
inchi:
InChI=1/C14H16N4O.ClH/c1-2-19-12-6-4-11(5-7-12)17-18-14-8-3-10(15)9-13(14)16;/h3-9H,2,15-16H2,1H3;1H


cas: 231301-26-1
dtxsid: DTXSID30893568
norman_susdat_id: NS00110002
name:
1-Benzoyl-5-(perfluorohexyl)-3-(trifluoromethyl)pyrazole and 1-Benzoyl-3-(perfluorohexyl)-5-(trifluoromethyl)pyrazole


name: Physalin B
cas: 23133-56-4
chebiid: CHEBI:69017
chemspiderid: 11730919
formula: C28H30O9
inchikey: HVTFEHJSUSPQBK-IIOAQAAUSA-N
norman_susdat_id: NS00093769
pubchem_cid: 10265361
smiles:
C[C@]12C[C@@H]3[C@]4([C@]56[C@H]1C(=O)[C@](O5)([C@@H]7CC=C8CC=CC(=O)[C@@]8([C@H]7CC[C@]6(C(=O)O4)O)C)OC[C@H]2C(=O)O3)C


name: Flurenol-butyl
cas: 2314-09-2
chemspiderid: 37279
dtxsid: DTXSID5041986
formula: C18H18O3
inchikey: PSGPXWYGJGGEEG-UHFFFAOYSA-N
norman_susdat_id: NS00006408
pubchem_cid: 40816
smiles: CCCCOC(=O)C1(O)c2ccccc2-c2ccccc12
inchi:
InChI=1S/C18H18O3/c1-2-3-12-21-17(19)18(20)15-10-6-4-8-13(15)14-9-5-7-11-16(14)18/h4-11,20H,2-3,12H2,1H3


cas: 23142-01-0
formula: C20H31NO3.C6H8O7
inchikey: AKJDEXBCRLOVTH-UHFFFAOYSA-L
norman_susdat_id: NS00084862
smiles: CC[NH+](CC)CCOCCOC(=O)C1(CCCC1)c2ccccc2.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
name:
Diethyl[2-[2-[(1-phenylcyclopentyl)formyloxy]ethoxy]ethyl]ammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate

inchi:
InChI=1/C20H31NO3.C6H8O7/c1-3-21(4-2)14-15-23-16-17-24-19(22)20(12-8-9-13-20)18-10-6-5-7-11-18;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-7,10-11H,3-4,8-9,12-17H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2


name: 6-(dimethylamino)-4,4-diphenylheptan-3-one hydrobromide
cas: 23142-53-2
formula: C21H27NO.BrH
inchikey: FSICAXDYXLRLRG-UHFFFAOYSA-N
norman_susdat_id: NS00084897
smiles: Br.CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c2ccccc2
inchi:
InChI=1/C21H27NO.BrH/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17H,5,16H2,1-4H3;1H


name: Benzyl(cyclohexyl)dimethylammonium chloride
cas: 23145-46-2
dtxsid: DTXSID00945821
formula: C15H24N
inchikey: ZYUCLFWLUQAJEJ-UHFFFAOYSA-M
norman_susdat_id: NS00050306
pubchem_cid: 3015147
smiles: [Cl-].C=1C=CC(=CC1)C[N+](C)(C)C2CCCCC2
inchi:
InChI=1/C15H24N.ClH/c1-16(2,15-11-7-4-8-12-15)13-14-9-5-3-6-10-14;/h3,5-6,9-10,15H,4,7-8,11-13H2,1-2H3;1H/q+1;/p-1


name: N,N'-(Iminodiethylene)bis(4-hydroxybutyramide)
cas: 23147-44-6
chemspiderid: 81265
dtxsid: DTXSID20177728
formula: C12H25N3O4
inchikey: VXSQUWDOJDCHLX-UHFFFAOYSA-N
norman_susdat_id: NS00027366
pubchem_cid: 90019
smiles: OCCCC(=O)NCCNCCNC(=O)CCCO
inchi:
InChI=1S/C12H25N3O4/c16-9-1-3-11(18)14-7-5-13-6-8-15-12(19)4-2-10-17/h13,16-17H,1-10H2,(H,14,18)(H,15,19)


name: Oxymetazoline hydrochloride
cas: 2315-02-8
chebiid: CHEBI:7863
dtxsid: DTXSID80177729
formula: C16H25ClN2O
inchikey: BEEDODBODQVSIM-UHFFFAOYSA-N
norman_susdat_id: NS00076407
smiles: Cl.CC1=CC(=C(O)C(C)=C1CC1=NCCN1)C(C)(C)C
inchi:
InChI=1S/C16H24N2O.ClH/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14;/h8,19H,6-7,9H2,1-5H3,(H,17,18);1H


name: ethanol, 2-[2-[2-[4-(1,1,3,3-tetramethylbutyl)phenoxy]ethoxy]ethoxy]-
cas: 2315-62-0
dtxsid: DTXSID30880690
formula: C20H34O4
inchikey: OLOHNJXENGJYTB-UHFFFAOYSA-N
norman_susdat_id: NS00096166
smiles: CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCO)cc1
inchi:
InChI=1S/C20H34O4/c1-19(2,3)16-20(4,5)17-6-8-18(9-7-17)24-15-14-23-13-12-22-11-10-21/h6-9,21H,10-16H2,1-5H3


name: Virginiamycin S1
cas: 23152-29-6
chebiid: CHEBI:46416
chemspiderid: 4534976
dtxsid: DTXSID0046856
formula: C43H49N7O10
inchikey: FEPMHVLSLDOMQC-IYPFLVAKSA-N
norman_susdat_id: NS00011660
pubchem_cid: 5388936
inchi:
InChI=1S/C43H49N7O10/c1-4-29-40(56)49-21-12-17-30(49)41(57)48(3)32(23-26-13-7-5-8-14-26)42(58)50-22-19-28(51)24-31(50)37(53)47-35(27-15-9-6-10-16-27)43(59)60-25(2)34(38(54)45-29)46-39(55)36-33(52)18-11-20-44-36/h5-11,13-16,18,20,25,29-32,34-35,52H,4,12,17,19,21-24H2,1-3H3,(H,45,54)(H,46,55)(H,47,53)/t25-,29-,30+,31+,32+,34+,35+/m1/s1

smiles:
CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CCC(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)c4c(cccn4)O)C)c5ccccc5)Cc6ccccc6)C


name: 6'-(benzylamino)-3'-chlorospiro[isobenzofuran-1(3H)-9'[9H]-xanthene]-3-one
cas: 23160-51-2
dtxsid: DTXSID70945838
formula: C27H18ClNO3
inchikey: OKNBYLKGMMUSPR-UHFFFAOYSA-N
norman_susdat_id: NS00050307
pubchem_cid: 90885
smiles: O=C1OC=2C=CC=CC2C13C4=CC=C(Cl)C=C4OC5=CC(=CC=C53)NCC=6C=CC=CC6
inchi:
InChI=1/C27H18ClNO3/c28-18-10-12-21-24(14-18)31-25-15-19(29-16-17-6-2-1-3-7-17)11-13-22(25)27(21)20-8-4-5-9-23(20)32-26(27)30/h1-15,29H,16H2


name: Tri(tetradecyl) borate
cas: 23162-15-4
dtxsid: DTXSID6066862
formula: C42H87BO3
inchikey: WTBVYJWHTHPPKB-UHFFFAOYSA-N
norman_susdat_id: NS00051576
pubchem_cid: 64670
smiles: O(B(OCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC)CCCCCCCCCCCCCC
inchi:
InChI=1/C42H87BO3/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-44-43(45-41-38-35-32-29-26-23-20-17-14-11-8-5-2)46-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-42H2,1-3H3


name: 3,5-Bis(perfluorohexyl)-1-(nonafluoropentanoyl)-1H-pyrazole
cas: 231630-88-9
dtxsid: DTXSID20893370
formula: C20HF35N2O
inchikey: RZZCMOKELUIWLJ-UHFFFAOYSA-N
norman_susdat_id: NS00109653
inchi:
InChI=1S/C20HF35N2O/c21-5(22,8(27,28)11(33,34)13(37,38)16(43,44)19(50,51)52)2-1-3(57(56-2)4(58)7(25,26)10(31,32)15(41,42)18(47,48)49)6(23,24)9(29,30)12(35,36)14(39,40)17(45,46)20(53,54)55/h1H

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)N1N=C(C=C1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: 2-(Benzyl(2-hydroxyethyl)amino)-1-phenylethanol
cas: 23175-18-0
chemspiderid: 3094595
formula: C17H21N1O2
inchikey: YACKUJVZHUOMIV-UHFFFAOYSA-N
norman_susdat_id: NS00008288
pubchem_cid: 3869797
smiles: OCCN(CC(O)c1ccccc1)Cc1ccccc1
inchi:
InChI=1S/C17H21NO2/c19-12-11-18(13-15-7-3-1-4-8-15)14-17(20)16-9-5-2-6-10-16/h1-10,17,19-20H,11-14H2


cas: 23178-67-8
dtxsid: DTXSID1066863
formula: C37H37N2
inchikey: QVHVXEVQPNDOFD-UHFFFAOYSA-M
norman_susdat_id: NS00050795
pubchem_cid: NA
smiles: O=Cl(=O)(=O)[O-].C(C=CC=C1N(C=2C=CC=3C=CC=CC3C2C1(C)C)C)=CC=CC4=[N+](C=5C=CC=6C=CC=CC6C5C4(C)C)C
name:
2-[7-(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)hepta-1,3,5-trienyl]-1,1,3-trimethyl-1H-benz[e]indolium perchlorate

inchi:
InChI=1/C37H37N2.ClHO4/c1-36(2)32(38(5)30-24-22-26-16-12-14-18-28(26)34(30)36)20-10-8-7-9-11-21-33-37(3,4)35-29-19-15-13-17-27(29)23-25-31(35)39(33)6;2-1(3,4)5/h7-25H,1-6H3;(H,2,3,4,5)/q+1;/p-1


cas: 23179-69-3
formula: C21H18ClN3O7S.Na
inchikey: IYZQROLGTPZBMS-XXRBRTKDSA-M
norman_susdat_id: NS00084394
smiles: [Na+].CC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](NC(=O)c3c(C)onc3c4ccccc4Cl)C2=O)C(=O)[O-]
name:
Sodium (6R-trans)-3-(acetoxymethyl)-7-[[[3-(2-chlorophenyl)-5-methylisoxazol-4-yl]carbonyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

inchi:
InChI=1/C21H18ClN3O7S.Na/c1-9-14(15(24-32-9)12-5-3-4-6-13(12)22)18(27)23-16-19(28)25-17(21(29)30)11(7-31-10(2)26)8-33-20(16)25;/h3-6,16,20H,7-8H2,1-2H3,(H,23,27)(H,29,30);/q;+1/p-1


name: Senkirkine
cas: 2318-18-5
chebiid: CHEBI:9111
chemspiderid: 10254880
dtxsid: DTXSID4021266
formula: C19H27NO6
inchikey: HPDHKHMHQGCNPE-QLJRNOHWSA-N
norman_susdat_id: NS00098511
pubchem_cid: 5281752
smiles: C/C=C1/C[C@H]([C@@](C(=O)OC/C/2=C/CN(CC[C@H](C2=O)OC1=O)C)(C)O)C
inchi:
InChI=1S/C19H27NO6/c1-5-13-10-12(2)19(3,24)18(23)25-11-14-6-8-20(4)9-7-15(16(14)21)26-17(13)22/h5-6,12,15,24H,7-11H2,1-4H3/b13-5-,14-6-/t12-,15-,19-/m1/s1


name: Paeoniflorin extracted from paeony
cas: 23180-57-6
chemspiderid: 21172876
dtxsid: DTXSID2042648
formula: C23H28O11
inchikey: YKRGDOXKVOZESV-KGXMYOJESA-N
norman_susdat_id: NS00027374
pubchem_cid: 21115231
inchi:
InChI=1S/C23H28O11/c1-20-9-22(29)13-7-23(20,32-18-16(27)15(26)14(25)12(8-24)31-18)21(13,19(33-20)34-22)10-30-17(28)11-5-3-2-4-6-11/h2-6,12-16,18-19,24-27,29H,7-10H2,1H3/t12-,13-,14-,15+,16-,18+,19-,20+,21+,22-,23+/m1/s1

smiles:
C[C@@]12C[C@@]3(O)O[C@@H](O1)[C@]1(COC(=O)c4ccccc4)[C@H]3C[C@]21O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O


name: Butachlor
cas: 23184-66-9
chebiid: CHEBI:3230
chemspiderid: 29376
dtxsid: DTXSID3034402
formula: C17H26Cl1N1O2
inchikey: HKPHPIREJKHECO-UHFFFAOYSA-N
norman_susdat_id: NS00003366
pubchem_cid: 31677
smiles: CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC
inchi:
InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3


name: 1-Acetyl-3,5-bis(perfluorohexyl)pyrazole
cas: 231953-34-7
chemspiderid: 2017517
dtxsid: DTXSID60370978
formula: C17H4F26N2O1
inchikey: IQHPIVLECIKIGS-UHFFFAOYSA-N
norman_susdat_id: NS00018860
pubchem_cid: 2735832
inchi:
InChI=1S/C17H4F26N2O/c1-3(46)45-5(7(20,21)9(24,25)11(28,29)13(32,33)15(36,37)17(41,42)43)2-4(44-45)6(18,19)8(22,23)10(26,27)12(30,31)14(34,35)16(38,39)40/h2H,1H3

smiles:
CC(=O)N1N=C(C=C1C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: 2',4',5',7'-Tetrachlorofluorescein
cas: 2320-38-9
chemspiderid: 133087
dtxsid: DTXSID40177780
formula: C20H8Cl4O5
inchikey: WBLLWHYYHNSTFH-UHFFFAOYSA-N
norman_susdat_id: NS00027377
pubchem_cid: 150993
smiles: Oc1c(Cl)cc2c(Oc3c(Cl)c(O)c(Cl)cc3C32OC(=O)c2ccccc32)c1Cl
inchi:
InChI=1S/C20H8Cl4O5/c21-11-5-9-17(13(23)15(11)25)28-18-10(6-12(22)16(26)14(18)24)20(9)8-4-2-1-3-7(8)19(27)29-20/h1-6,25-26H


name: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 4',5'-dichloro-3',6'-dihydroxy-
cas: 2320-96-9
chemspiderid: 67886
dtxsid: DTXSID2062327
formula: C20H10Cl2O5
inchikey: WLHLYHWMNUCWEV-UHFFFAOYSA-N
norman_susdat_id: NS00027379
pubchem_cid: 75349
smiles: Oc1c(Cl)c2c(cc1)C1(OC(=O)c3c1cccc3)c1c(O2)c(Cl)c(O)cc1
inchi:
InChI=1S/C20H10Cl2O5/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H


name: Iosulamide
cas: 23205-04-1
dtxsid: DTXSID00177786
formula: C28H28I6N4O10S
inchikey: OZKKEKFKXIOSIV-UHFFFAOYSA-N
norman_susdat_id: NS00050802
pubchem_cid: 44557
inchi:
InChI=1/C28H28I6N4O10S/c1-5-37(11(3)39)25-19(31)15(27(43)44)17(29)23(21(25)33)35-13(41)7-9-49(47,48)10-8-14(42)36-24-18(30)16(28(45)46)20(32)26(22(24)34)38(6-2)12(4)40/h5-10H2,1-4H3,(H,35,41)(H,36,42)(H,43,44)(H,45,46)

smiles:
O=C(O)C1=C(I)C(NC(=O)CCS(=O)(=O)CCC(=O)NC=2C(I)=C(C(=O)O)C(I)=C(C2I)N(C(=O)C)CC)=C(I)C(=C1I)N(C(=O)C)CC


name: Fluorescein
cas: 2321-07-5
chebiid: CHEBI:31624
chemspiderid: 15968
dtxsid: DTXSID0038887
formula: C20H12O5
inchikey: GNBHRKFJIUUOQI-UHFFFAOYSA-N
norman_susdat_id: NS00004148
pubchem_cid: 16850
smiles: Oc1ccc2c(Oc3cc(O)ccc3C22OC(=O)c3ccccc23)c1
inchi:
InChI=1S/C20H12O5/c21-11-5-7-15-17(9-11)24-18-10-12(22)6-8-16(18)20(15)14-4-2-1-3-13(14)19(23)25-20/h1-10,21-22H


cas: 2321-65-5
dtxsid: DTXSID90177790
formula: C35H37N4O6S3
inchikey: WVXXUIKUBNLFPA-UHFFFAOYSA-N
norman_susdat_id: NS00048749
pubchem_cid: NA
smiles: O=C1C(C(C=C2SC3=CC(OC)=CC=C3N2C)=CC=4SC=5C=C(OC)C=CC5[N+]4C)=C(N(N1C=6C=CC=CC6)CCCCS(=O)(=O)[O-])C
name:
2-[2-[2,3-dihydro-5-methyl-3-oxo-2-phenyl-1-(4-sulphonatobutyl)-1H-pyrazol-4-yl]-3-(6-methoxy-3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl]-6-methoxy-3-methylbenzothiazolium

inchi:
InChI=1/C35H36N4O6S3/c1-23-34(35(40)39(25-11-7-6-8-12-25)38(23)17-9-10-18-48(41,42)43)24(19-32-36(2)28-15-13-26(44-4)21-30(28)46-32)20-33-37(3)29-16-14-27(45-5)22-31(29)47-33/h6-8,11-16,19-22H,9-10,17-18H2,1-5H3


name: Ifenprodil
cas: 23210-56-2
chebiid: CHEBI:93829
chemspiderid: 3561
dtxsid: DTXSID2045656
formula: C21H27N1O2
inchikey: UYNVMODNBIQBMV-UHFFFAOYSA-N
norman_susdat_id: NS00008388
pubchem_cid: 3689
smiles: CC(C(O)c1ccc(O)cc1)N1CCC(Cc2ccccc2)CC1
inchi:
InChI=1S/C21H27NO2/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17/h2-10,16,18,21,23-24H,11-15H2,1H3


name: 4-benzyl-1-[ß,4-dihydroxy-a-methylphenethyl]piperidinium hydrogen tartrate
cas: 23210-58-4
formula: C21H27NO2.xC4H6O6
inchikey: FFYMSFGBEJMSFP-UHFFFAOYSA-M
norman_susdat_id: NS00084085
smiles: CC(C(O)c1ccc(O)cc1)[NH+]2CCC(Cc3ccccc3)CC2.OC(C(O)C(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C21H27NO2.C4H6O6/c1-16(21(24)19-7-9-20(23)10-8-19)22-13-11-18(12-14-22)15-17-5-3-2-4-6-17;5-1(3(7)8)2(6)4(9)10/h2-10,16,18,21,23-24H,11-15H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/p-1


cas: 23211-47-4
formula: C25H18ClN7O10S3.3Na
inchikey: WDWBPYFNRWQKNZ-UHFFFAOYSA-K
norman_susdat_id: NS00084916
name:
Trisodium 5-[[4-chloro-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C25H18ClN7O10S3.3Na/c26-23-29-24(27-14-6-2-1-3-7-14)31-25(30-23)28-17-12-15(44(35,36)37)10-13-11-19(46(41,42)43)21(22(34)20(13)17)33-32-16-8-4-5-9-18(16)45(38,39)40;;;/h1-12,34H,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H2,27,28,29,30,31);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].Clc5nc(Nc2cc(cc3cc(c(N=Nc1ccccc1S([O-])(=O)=O)c(O)c23)S([O-])(=O)=O)S([O-])(=O)=O)nc(Nc4ccccc4)n5


name: Doxorubicin
cas: 23214-92-8
chebiid: CHEBI:28748
chemspiderid: 29400
dtxsid: DTXSID8021480
formula: C27H29N1O11
inchikey: AOJJSUZBOXZQNB-TZSSRYMLSA-N
norman_susdat_id: NS00002473
pubchem_cid: 31703
smiles: COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO
inchi:
InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1


name: Sodium p-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonate
cas: 23215-04-5
formula: C10H10N2O4S.Na
inchikey: QQAJQWDRISHRNO-UHFFFAOYSA-M
norman_susdat_id: NS00084400
smiles: [Na+].CC1=NN(C(=O)C1)c2ccc(cc2)S(=O)(=O)[O-]
inchi:
InChI=1/C10H10N2O4S.Na/c1-7-6-10(13)12(11-7)8-2-4-9(5-3-8)17(14,15)16;/h2-5H,6H2,1H3,(H,14,15,16);/q;+1/p-1


cas: 23216-52-6
dtxsid: DTXSID70945898
formula: C25H23NO6
inchikey: DVJAVMLTYYPMJM-UHFFFAOYSA-N
norman_susdat_id: NS00050796
pubchem_cid: 90887
smiles: O=C(O)C1=CC(C=C(C1=O)C)=C(C2=CC=C(C=C2)N(C)C)C=3C=C(C(=O)O)C(O)=C(C3)C
name:
5-[(3-carboxy-5-methyl-4-oxo-2,5-cyclohexadien-1-ylidene)[4-(dimethylamino)phenyl]methyl]-3-methylsalicylic acid

inchi:
InChI=1/C25H23NO6/c1-13-9-16(11-19(22(13)27)24(29)30)21(15-5-7-18(8-6-15)26(3)4)17-10-14(2)23(28)20(12-17)25(31)32/h5-12,27H,1-4H3,(H,29,30)(H,31,32)


name: 13-ß-ethyl-3-methoxygona-2,5(10)-dien-17-one
cas: 2322-77-2
formula: C20H28O2
inchikey: PQMRKLSVUBRLLQ-XSYGEPLQSA-N
norman_susdat_id: NS00083282
smiles: CC[C@]12CC[C@H]3[C@@H](CCC4=C3CC=C(C4)OC)[C@@H]1CCC2=O
inchi:
InChI=1/C20H28O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,16-18H,3-4,6-12H2,1-2H3


name: 4-[3-(2-chloro-10H-phenothiazin-10-yl)propyl]piperazine-1-ethanol hydrochloride
cas: 23221-95-6
formula: C21H26ClN3OS.xClH
inchikey: ONDBZOZCVLIFKD-UHFFFAOYSA-N
norman_susdat_id: NS00084955
smiles: Cl.OCCN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1
inchi:
InChI=1/C21H26ClN3OS.ClH/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;1H


name: 6-hydroxy-5-[(2-nitrophenyl)azo]naphthalene-2-sulphonic acid
cas: 23222-13-1
formula: C16H12N3O6S
inchikey: GQRPVYIEDDNGDC-UHFFFAOYSA-N
norman_susdat_id: NS00050847
pubchem_cid: 90034
smiles: O=[N+]([O-])C=1C=CC=CC1N=NC2=C(O)C=CC3=CC(=CC=C32)S(=O)(=O)O
inchi:
InChI=1/C16H11N3O6S/c20-15-8-5-10-9-11(26(23,24)25)6-7-12(10)16(15)18-17-13-3-1-2-4-14(13)19(21)22/h1-9,20H,(H,23,24,25)


name: Daledalin
cas: 23226-37-1
dtxsid: DTXSID00865035
formula: C19H24N2
inchikey: YFAIJBZEDDOCAN-IBGZPJMESA-N
norman_susdat_id: NS00068802
smiles: CNCCC[C@@]1(C)CN(c2ccccc2)c2ccccc21
inchi:
InChI=1S/C19H24N2/c1-19(13-8-14-20-2)15-21(16-9-4-3-5-10-16)18-12-7-6-11-17(18)19/h3-7,9-12,20H,8,13-15H2,1-2H3/t19-/m0/s1


name: 1,1,2,2,3,3,4,4-Octafluoro-1,4-bis[(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxy]butane
cas: 23228-90-2
dtxsid: DTXSID80896564
formula: C10F22O2
inchikey: DZRJDVMVCAOKEZ-UHFFFAOYSA-N
norman_susdat_id: NS00111833
smiles: FC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C10F22O2/c11-1(12,9(29,30)33-3(15,5(17,18)19)6(20,21)22)2(13,14)10(31,32)34-4(16,7(23,24)25)8(26,27)28


name: Brotianide
cas: 23233-88-7
chemspiderid: 2298817
dtxsid: DTXSID00177807
formula: C15H10Br2Cl1N1O2S1
inchikey: NRFGEDASJHBPPN-UHFFFAOYSA-N
norman_susdat_id: NS00027382
pubchem_cid: 3034337
smiles: CC(=O)Oc1c(Br)cc(Cl)cc1C(=S)Nc1ccc(Br)cc1
inchi:
InChI=1S/C15H10Br2ClNO2S/c1-8(20)21-14-12(6-10(18)7-13(14)17)15(22)19-11-4-2-9(16)3-5-11/h2-7H,1H3,(H,19,22)


name: Pentachlorophenyl N-[[(4-methoxyphenyl)methoxy]carbonyl]-L-serinate
cas: 23234-97-1
dtxsid: DTXSID70945914
formula: C18H14Cl5NO6
inchikey: UCEIZKVAZFNYMB-JTQLQIEISA-N
norman_susdat_id: NS00050852
pubchem_cid: 21116660
smiles: O=C(OCC1=CC=C(OC)C=C1)NC(C(=O)OC=2C(Cl)=C(Cl)C(Cl)=C(Cl)C2Cl)CO
inchi:
InChI=1/C18H14Cl5NO6/c1-28-9-4-2-8(3-5-9)7-29-18(27)24-10(6-25)17(26)30-16-14(22)12(20)11(19)13(21)15(16)23/h2-5,10,25H,6-7H2,1H3,(H,24,27)


name: 3-Thiazolidineacetic acid, 5-[(3-ethyl-2(3H)-benzoxazolylidene)ethylidene]-4-oxo-2-thioxo-
cas: 23236-18-2
chemspiderid: 82073
dtxsid: DTXSID1066865
formula: C16H14N2O4S2
inchikey: QWFJNAHLMKUKHA-UHFFFAOYSA-N
norman_susdat_id: NS00027383
pubchem_cid: 90891
smiles: CCn1/c(=C/C=C2/SC(=S)N(CC(=O)O)C2=O)/oc2c1cccc2
inchi:
InChI=1S/C16H14N2O4S2/c1-2-17-10-5-3-4-6-11(10)22-13(17)8-7-12-15(21)18(9-14(19)20)16(23)24-12/h3-8H,2,9H2,1H3,(H,19,20)/b12-7+,13-8-


name: Talmetoprim
cas: 23238-19-9
chemspiderid: 143315
formula: C22H20N4O5
inchikey: MGBWNIUCAVQUCE-UHFFFAOYSA-N
norman_susdat_id: NS00011774
pubchem_cid: 163307
smiles: COc1cc(cc(c1OC)OC)Cc2cnc(nc2N)N3C(=O)c4ccccc4C3=O
inchi:
InChI=1S/C22H20N4O5/c1-29-16-9-12(10-17(30-2)18(16)31-3)8-13-11-24-22(25-19(13)23)26-20(27)14-6-4-5-7-15(14)21(26)28/h4-7,9-11H,8H2,1-3H3,(H2,23,24,25)


cas: 23239-41-0
formula: C13H13N3O6S.Na
inchikey: GXCRUTWHNMMJEK-CSDGMEMJSA-M
norman_susdat_id: NS00084427
smiles: [Na+].CC(=O)OCC1=C(N2[C@@H](SC1)[C@@H](NC(=O)CC#N)C2=O)C(=O)[O-]
name:
Sodium (6R-trans)-3-(acetoxymethyl)-7-(cyanoacetamido)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

inchi:
InChI=1/C13H13N3O6S.Na/c1-6(17)22-4-7-5-23-12-9(15-8(18)2-3-14)11(19)16(12)10(7)13(20)21;/h9,12H,2,4-5H2,1H3,(H,15,18)(H,20,21);/q;+1/p-1


name: (R*,S*)-4-hydroxy-a-[1-[[2-(4-hydroxyphenyl)ethyl]amino]ethyl]benzyl alcohol hydrochloride
cas: 23239-51-2
formula: C17H21NO3.ClH
inchikey: IDLSITKDRVDKRV-UHFFFAOYSA-N
norman_susdat_id: NS00084115
smiles: Cl.CC(NCCc1ccc(O)cc1)C(O)c2ccc(O)cc2
inchi:
InChI=1/C17H21NO3.ClH/c1-12(17(21)14-4-8-16(20)9-5-14)18-11-10-13-2-6-15(19)7-3-13;/h2-9,12,17-21H,10-11H2,1H3;1H


name: Calcium dibenzyl diphthalate
cas: 23239-68-1
formula: C15H12O4.1/2Ca
inchikey: IJQRJDMNTRRHKB-UHFFFAOYSA-L
norman_susdat_id: NS00084956
smiles: O=C(OCc1ccccc1)c2ccccc2C(=O)O[Ca]OC(=O)c3ccccc3C(=O)OCc4ccccc4
inchi:
InChI=1/2C15H12O4.Ca/c2*16-14(17)12-8-4-5-9-13(12)15(18)19-10-11-6-2-1-3-7-11;/h2*1-9H,10H2,(H,16,17);/q;;+2/p-2


name: Riddelliine
cas: 23246-96-0
chebiid: CHEBI:63924
chemspiderid: 4445058
dtxsid: DTXSID4026006
formula: C18H23NO6
inchikey: SVCNNZDUGWLODJ-RAYFHMIRSA-N
norman_susdat_id: NS00094708
pubchem_cid: 5281744
smiles: CC=C1CC(=C)[C@](O)(CO)C(=O)OCC2=CCN3CC[C@@H](OC1=O)[C@@H]23
inchi:
InChI=1S/C18H23NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,14-15,20,23H,2,5-10H2,1H3/b12-3-/t14-,15-,18-/m1/s1


name: N-(triphenylphosphoranylidene)aniline
cas: 2325-27-1
dtxsid: DTXSID80177820
formula: C24H20NP
inchikey: PTLOPIHJOPWUNN-UHFFFAOYSA-N
norman_susdat_id: NS00049421
pubchem_cid: 75352
smiles: N(C=1C=CC=CC1)=P(C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C24H20NP/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H


name: (2-hydroxyethyl)triphenylphosphonium chloride
cas: 23250-03-5
dtxsid: DTXSID90945936
formula: C20H20OP
inchikey: NOEABYSOSUWXKG-UHFFFAOYSA-M
norman_susdat_id: NS00051653
pubchem_cid: 520034
smiles: [Cl-].OCC[P+](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3
inchi:
InChI=1/C20H20OP.ClH/c21-16-17-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-15,21H,16-17H2;1H/q+1;/p-1


name: Potassium abietate
cas: 23250-44-4
formula: C20H30O2.K
inchikey: NVJCKICOBXMJIJ-XTICBAGASA-M
norman_susdat_id: NS00084428
smiles: [K+].CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(=O)[O-])[C@H]2CC1
inchi:
InChI=1/C20H30O2.K/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22;/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22);/q;+1/p-1


name: Manganese dioleate
cas: 23250-73-9
formula: C18H34O2.1/2Mn
inchikey: XYXLRVFDLJOZJC-CVBJKYQLSA-L
norman_susdat_id: NS00084433
smiles: [Mn+2].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H34O2.Mn/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: N-[2-(diethylamino)ethyl]-4-methoxy-9-oxoxanthene-1-amine monomethanesulphonate
cas: 23255-93-8
dtxsid: DTXSID4025408
formula: C20H24N2O3
inchikey: VOQROIZQEJAAAV-UHFFFAOYSA-N
norman_susdat_id: NS00050854
pubchem_cid: 20056984
smiles: O=C1C=2C=CC=CC2OC=3C(OC)=CC=C(NCCN(CC)CC)C13.O=S(=O)(O)C
inchi:
InChI=1/C20H24N2O3.CH4O3S/c1-4-22(5-2)13-12-21-15-10-11-17(24-3)20-18(15)19(23)14-8-6-7-9-16(14)25-20;1-5(2,3)4/h6-11,21H,4-5,12-13H2,1-3H3;1H3,(H,2,3,4)


name: Sulforidazine
cas: 23255-94-9
chebiid: CHEBI:135644
chemspiderid: 19958941
formula: C21H26N2O2S2
inchikey: FLGCRGJDQJIJAW-UHFFFAOYSA-N
norman_susdat_id: NS00015416
pubchem_cid: 31765
smiles: CN1CCCCC1CCN2C3=CC=CC=C3SC4=C2C=C(C=C4)S(=O)(=O)C
inchi:
InChI=1S/C21H26N2O2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)26-21-11-10-17(15-19(21)23)27(2,24)25/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3


name: Sodium [[1-(phenylmethyl)-1H-indazol-3-yl]oxy]acetate
cas: 23255-99-4
formula: C16H14N2O3.Na
inchikey: GHFGHIKJGVMEFT-UHFFFAOYSA-M
norman_susdat_id: NS00085376
smiles: [Na+].[O-]C(=O)COc1nn(Cc2ccccc2)c3ccccc13
inchi:
InChI=1/C16H14N2O3.Na/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);/q;+1/p-1


name: Nifurtimox
cas: 23256-30-6
chebiid: CHEBI:91472
chemspiderid: 29464
dtxsid: DTXSID3045439
formula: C10H13N3O5S1
inchikey: ARFHIAQFJWUCFH-UHFFFAOYNA-N
norman_susdat_id: NS00027388
pubchem_cid: NA
smiles: CC1CS(=O)(=O)CCN1/N=C/c1ccc(o1)[N+](=O)[O-]
inchi:
InChI=1S/C10H13N3O5S/c1-8-7-19(16,17)5-4-12(8)11-6-9-2-3-10(18-9)13(14)15/h2-3,6,8H,4-5,7H2,1H3/b11-6+/t8-/m0/s1


name: Lactic acid, compound with 5-(3,4,5-trimethoxybenzyl)pyrimidine-2,4-diamine (1:1)
cas: 23256-42-0
formula: C14H18N4O3.C3H6O3
inchikey: IIZVTUWSIKTFKO-UHFFFAOYSA-N
norman_susdat_id: NS00084444
smiles: COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC.CC(O)C(=O)O
inchi:
InChI=1/C14H18N4O3.C3H6O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15;1-2(4)3(5)6/h5-7H,4H2,1-3H3,(H4,15,16,17,18);2,4H,1H3,(H,5,6)


name: 3-[(2,6-dichlorophenyl)methylene]carbazamidine monoacetate
cas: 23256-50-0
formula: C8H8Cl2N4.C2H4O2
inchikey: MCSPBPXATWBACD-UHFFFAOYSA-N
norman_susdat_id: NS00085377
smiles: Clc1cccc(Cl)c1C=NNC(N)=N.CC(O)=O
inchi:
InChI=1/C8H8Cl2N4.C2H4O2/c9-6-2-1-3-7(10)5(6)4-13-14-8(11)12;1-2(3)4/h1-4H,(H4,11,12,14);1H3,(H,3,4)


name: 6a-fluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 17-valerate
cas: 23257-44-5
dtxsid: DTXSID60945948
formula: C26H35FO6
inchikey: JXWVQHSDWAODPY-HHJIKABBSA-N
norman_susdat_id: NS00050890
pubchem_cid: 11705312
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CCC(OC(=O)CCCC)(C(=O)CO)C4(C)CC(O)C32)C
inchi:
InChI=1/C26H35FO6/c1-4-5-6-22(32)33-26(21(31)14-28)10-8-17-16-12-19(27)18-11-15(29)7-9-24(18,2)23(16)20(30)13-25(17,26)3/h7,9,11,16-17,19-20,23,28,30H,4-6,8,10,12-14H2,1-3H3


name: (R*,R*)-(-)-2-(a-acetoxybenzyl)piperidinium chloride
cas: 23257-56-9
dtxsid: DTXSID20945949
formula: C14H19NO2
inchikey: LDPSCUMJCVDWCB-UHFFFAOYSA-N
norman_susdat_id: NS00050891
pubchem_cid: 558526
smiles: [Cl-].O=C(OC(C=1C=CC=CC1)C2CCCC[NH2+]2)C
inchi:
InChI=1/C14H19NO2.ClH/c1-11(16)17-14(12-7-3-2-4-8-12)13-9-5-6-10-15-13;/h2-4,7-8,13-15H,5-6,9-10H2,1H3;1H


name: 1-[2-[[4-[(2-cyano-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium chloride
cas: 23258-43-7
dtxsid: DTXSID40885232
formula: C22H22N6O2
inchikey: MFBCTBZUVCLGMM-UHFFFAOYSA-M
norman_susdat_id: NS00051285
pubchem_cid: 90046
smiles: [Cl-].N#CC1=CC(=CC=C1N=NC2=CC=C(C=C2)N(CC)CC[N+]=3C=CC=CC3)[N+](=O)[O-]
inchi:
InChI=1/C22H21N6O2.ClH/c1-2-27(15-14-26-12-4-3-5-13-26)20-8-6-19(7-9-20)24-25-22-11-10-21(28(29)30)16-18(22)17-23;/h3-13,16H,2,14-15H2,1H3;1H/q+1;/p-1


name: 2,2,3,4,4,5,5,6,6,7,8,8,8-Tridecafluoro-3,7-bis(trifluoromethyl)octan-1-ol
cas: 232587-50-7
dtxsid: DTXSID10379810
formula: C10H3F19O
inchikey: ZVOWIXGGKDLFPF-UHFFFAOYSA-N
norman_susdat_id: NS00109149
smiles: OCC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C10H3F19O/c11-2(12,1-30)3(13,8(21,22)23)5(15,16)7(19,20)6(17,18)4(14,9(24,25)26)10(27,28)29/h30H,1H2


name: M 236303
cas: 232597-73-8
chemspiderid: NA
dtxsid: DTXSID60435455
formula: C24H32N2O7S1
inchikey: DHOSLALLSFSWAO-UHFFFAOYSA-N
norman_susdat_id: NS00004615
pubchem_cid: NA
smiles: COc1ccc(cc1OC)C(CCCNCCc1ccc(OS(O)(=O)=O)c(O)c1)(C#N)C(C)C
inchi:
InChI=1S/C24H32N2O7S/c1-17(2)24(16-25,19-7-9-22(31-3)23(15-19)32-4)11-5-12-26-13-10-18-6-8-21(20(27)14-18)33-34(28,29)30/h6-9,14-15,17,26-27H,5,10-13H2,1-4H3,(H,28,29,30)


name: 6a,9-difluoro-11ß,21-dihydroxypregna-1,4,16-triene-3,20-dione 21-acetate
cas: 2326-26-3
dtxsid: DTXSID10945953
formula: C23H26F2O5
inchikey: YXASFOVLXBFEEU-LKVAYOKUSA-N
norman_susdat_id: NS00048802
pubchem_cid: 102243
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC=C(C(=O)COC(=O)C)C4(C)CC(O)C32F)C
inchi:
InChI=1/C23H26F2O5/c1-12(26)30-11-19(28)15-5-4-14-16-9-18(24)17-8-13(27)6-7-22(17,3)23(16,25)20(29)10-21(14,15)2/h5-8,14,16,18,20,29H,4,9-11H2,1-3H3


cas: 2327-50-6
formula: C19H39N2O5S
inchikey: YVOKTMNWVYQDHH-UHFFFAOYSA-M
norman_susdat_id: NS00048803
pubchem_cid: 102784
smiles: [Na+].[OH-].O=S(=O)([O-])CC(O)C[N+]1(C(=NCC1)CCCCCCCCCCC)CCO
name:
Sodium 4,5-dihydro-1-(2-hydroxyethyl)-1-(2-hydroxy-3-sulphonatopropyl)-2-undecyl-1H-imidazolium hydroxide

inchi:
InChI=1/C19H38N2O5S.Na.H2O/c1-2-3-4-5-6-7-8-9-10-11-19-20-12-13-21(19,14-15-22)16-18(23)17-27(24,25)26;;/h18,22-23H,2-17H2,1H3;;1H2/q;+1;/p-1


name: N-(Triphenylphosphoranylidene)-p-toluidine
cas: 2327-67-5
chemspiderid: 67890
dtxsid: DTXSID10177838
formula: C25H22N1P1
inchikey: LFAILBFSCZZJAD-UHFFFAOYSA-N
norman_susdat_id: NS00027392
pubchem_cid: 75354
smiles: Cc1ccc(cc1)N=P(c1ccccc1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C25H22NP/c1-21-17-19-22(20-18-21)26-27(23-11-5-2-6-12-23,24-13-7-3-8-14-24)25-15-9-4-10-16-25/h2-20H,1H3


name: Fedrilate
cas: 23271-74-1
chebiid: CHEBI:135468
chemspiderid: 29485
formula: C20H29N1O4
inchikey: RDEOYUSTRWNWLX-UHFFFAOYSA-N
norman_susdat_id: NS00008618
pubchem_cid: 31796
smiles: CC(CCN1CCOCC1)OC(=O)C1(CCOCC1)c1ccccc1
inchi:
InChI=1S/C20H29NO4/c1-17(7-10-21-11-15-24-16-12-21)25-19(22)20(8-13-23-14-9-20)18-5-3-2-4-6-18/h2-6,17H,7-16H2,1H3


name: (1-ethylhexyl) hydrogen phthalate
cas: 23276-77-9
dtxsid: DTXSID80945960
formula: C16H22O4
inchikey: SVRGUNPFMROZBU-UHFFFAOYSA-N
norman_susdat_id: NS00051384
pubchem_cid: 90900
smiles: O=C(O)C=1C=CC=CC1C(=O)OC(CC)CCCCC
inchi:
InChI=1/C16H22O4/c1-3-5-6-9-12(4-2)20-16(19)14-11-8-7-10-13(14)15(17)18/h7-8,10-12H,3-6,9H2,1-2H3,(H,17,18)


name: (1-naphthylmethyl)triphenylphosphonium chloride
cas: 23277-00-1
dtxsid: DTXSID40945961
formula: C29H24P
inchikey: MOYSMPXSEXYEJV-UHFFFAOYSA-M
norman_susdat_id: NS00050937
pubchem_cid: 2734113
smiles: [Cl-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CC4=CC=CC=5C=CC=CC54
inchi:
InChI=1/C29H24P.ClH/c1-4-16-26(17-5-1)30(27-18-6-2-7-19-27,28-20-8-3-9-21-28)23-25-15-12-14-24-13-10-11-22-29(24)25;/h1-22H,23H2;1H/q+1;/p-1


name: (5a,6a)-17-(cyclobutylmethyl)-4,5-epoxymorphinan-3,6,14-triol hydrochloride
cas: 23277-43-2
chebiid: CHEBI:7455
formula: C21H27NO4.ClH
inchikey: YZLZPSJXMWGIFH-BCXQGASESA-N
norman_susdat_id: NS00084764
smiles: Cl.O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC6CCC6)c45
inchi:
InChI=1/C21H27NO4.ClH/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12;/h4-5,12,15-16,19,23-25H,1-3,6-11H2;1H


name: 3-amino-L-tyrosine dihydrochloride monohydrate
cas: 23279-22-3
dtxsid: DTXSID20945964
formula: C9H12N2O3
inchikey: ITQBVYBSXFBTJX-QTPLPEIMSA-N
norman_susdat_id: NS00051385
pubchem_cid: 2723864
smiles: Cl.Cl.O=C(O)C(N)CC1=CC=C(O)C(N)=C1.O
inchi:
InChI=1/C9H12N2O3.2ClH.H2O/c10-6-3-5(1-2-8(6)12)4-7(11)9(13)14;;;/h1-3,7,12H,4,10-11H2,(H,13,14);2*1H;1H2


name: a-[(o-nitrophenyl)azo]benzimidazoline-<U+0394>2,a-acetamide
cas: 2328-07-6
formula: C15H12N6O3
inchikey: UJLHDEXRNCZGJN-UHFFFAOYSA-N
norman_susdat_id: NS00048083
pubchem_cid: 102786
smiles: O=C(N)C(N=NC=1C=CC=CC1N(=O)=O)C2=NC=3C=CC=CC3N2
inchi:
InChI=1/C15H12N6O3/c16-14(22)13(15-17-9-5-1-2-6-10(9)18-15)20-19-11-7-3-4-8-12(11)21(23)24/h1-8,13H,(H2,16,22)(H,17,18)


name: Nivalenol
cas: 23282-20-4
dtxsid: DTXSID3021067
formula: C15H20O7
inchikey: UKOTXHQERFPCBU-UHFFFAOYSA-N
norman_susdat_id: NS00067058
smiles: CC1=CC2C(C(C1=O)O)(C3(C(C(C(C34CO4)O2)O)O)C)CO
inchi:
InChI=1S/C15H20O7/c1-6-3-7-14(4-16,11(20)8(6)17)13(2)10(19)9(18)12(22-7)15(13)5-21-15/h3,7,9-12,16,18-20H,4-5H2,1-2H3


cas: 23284-18-6
dtxsid: DTXSID90945976
formula: C26H28O16
inchikey: YNMFDPCLPIMRFD-KSPKLRDJSA-N
norman_susdat_id: NS00051351
pubchem_cid: 5484066
smiles: O=C1C(OC2OC(COC3OCC(O)C(O)C3O)C(O)C(O)C2O)=C(OC=4C=C(O)C=C(O)C14)C=5C=CC(O)=C(O)C5
name:
3-[(6-O-a-L-arabinopyranosyl-ß-D-glucopyranosyl)oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one

inchi:
InChI=1/C26H28O16/c27-9-4-12(30)16-14(5-9)40-23(8-1-2-10(28)11(29)3-8)24(19(16)34)42-26-22(37)20(35)18(33)15(41-26)7-39-25-21(36)17(32)13(31)6-38-25/h1-5,13,15,17-18,20-22,25-33,35-37H,6-7H2


name: Probucol
cas: 23288-49-5
chebiid: CHEBI:8427
chemspiderid: 4743
dtxsid: DTXSID2045440
formula: C31H48O2S2
inchikey: FYPMFJGVHOHGLL-UHFFFAOYSA-N
norman_susdat_id: NS00003652
pubchem_cid: 4912
smiles: CC(C)(Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C)Sc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
inchi:
InChI=1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3


name: (e)-5-(2-bromovinyl)-2'-deoxy-5'-uridyl phenyl l-methoxyalaninylphosphoramidate
cas: 232925-18-7
dtxsid: DTXSID00177862
formula: C21H25BrN3O9P
inchikey: CFBLUORPOFELCE-YYYQGIHCSA-N
norman_susdat_id: NS00069387
smiles: COC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(/C=C/Br)c(=O)[nH]c2=O)C[C@@H]1O)Oc1ccccc1
inchi:
InChI=1S/C21H25BrN3O9P/c1-13(20(28)31-2)24-35(30,34-15-6-4-3-5-7-15)32-12-17-16(26)10-18(33-17)25-11-14(8-9-22)19(27)23-21(25)29/h3-9,11,13,16-18,26H,10,12H2,1-2H3,(H,24,30)(H,23,27,29)/b9-8+/t13-,16-,17+,18+,35+/m0/s1


name: Sjg-136
cas: 232931-57-6
dtxsid: DTXSID20177864
formula: C31H32N4O6
inchikey: RWZVMMQNDHPRQD-SFTDATJTSA-N
norman_susdat_id: NS00069744
pubchem_cid: 393111
smiles: C=C1C[C@H]2C=Nc3cc(OCCCOc4cc5c(cc4OC)C(=O)N4CC(=C)C[C@H]4C=N5)c(OC)cc3C(=O)N2C1
inchi:
InChI=1S/C31H32N4O6/c1-18-8-20-14-32-24-12-28(26(38-3)10-22(24)30(36)34(20)16-18)40-6-5-7-41-29-13-25-23(11-27(29)39-4)31(37)35-17-19(2)9-21(35)15-33-25/h10-15,20-21H,1-2,5-9,16-17H2,3-4H3/t20-,21-/m0/s1


name: Pergafast 201
cas: 232938-43-1
chemspiderid: NA
dtxsid: DTXSID90872910
formula: C21H20N2O6S2
inchikey: HEVGMYPGMWZOBU-UHFFFAOYSA-N
norman_susdat_id: NS00004605
pubchem_cid: 22035425
smiles: Cc1ccc(cc1)S(=O)(=O)NC(=O)Nc1cccc(OS(=O)(=O)c2ccc(C)cc2)c1
inchi:
InChI=1S/C21H20N2O6S2/c1-15-6-10-19(11-7-15)30(25,26)23-21(24)22-17-4-3-5-18(14-17)29-31(27,28)20-12-8-16(2)9-13-20/h3-14H,1-2H3,(H2,22,23,24)


name: Tetraisopentylammonium thiocyanate
cas: 23297-50-9
dtxsid: DTXSID80177865
formula: C20H44N
inchikey: DWCVOTSGWLRENH-UHFFFAOYSA-M
norman_susdat_id: NS00051352
pubchem_cid: 3015154
smiles: N#C[S-].CC(C)CC[N+](CCC(C)C)(CCC(C)C)CCC(C)C
inchi:
InChI=1/C20H44N.CHNS/c1-17(2)9-13-21(14-10-18(3)4,15-11-19(5)6)16-12-20(7)8;2-1-3/h17-20H,9-16H2,1-8H3;3H/q+1;/p-1


name: 1-(4,5-dimethylthiazol-2-yl)-3,5-diphenylformazan
cas: 23305-68-2
dtxsid: DTXSID80945980
formula: C18H17N5S
inchikey: YTQNSFTVNHYUBQ-LKVHXRRRSA-N
norman_susdat_id: NS00052158
pubchem_cid: NA
smiles: N(=NC=1C=CC=CC1)C(=NNC2=NC(=C(S2)C)C)C=3C=CC=CC3
inchi:
InChI=1/C18H17N5S/c1-13-14(2)24-18(19-13)23-22-17(15-9-5-3-6-10-15)21-20-16-11-7-4-8-12-16/h3-12H,1-2H3,(H,19,23)


name: 1,1'-(3,3'-dimethoxy-4,4'-biphenylylene)bis[3,5-diphenylformazane]
cas: 23305-71-7
dtxsid: DTXSID40945981
formula: C40H34N8O2
inchikey: HPQZHRVFWDLPEY-UHFFFAOYSA-N
norman_susdat_id: NS00052178
pubchem_cid: 90060
smiles: N1=C(C=2C=CC=CC2)N(NN1C=3C=CC=CC3)C4=CC=C(C=C4OC)C=5C=CC(=C(OC)C5)N6NN(N=C6C=7C=CC=CC7)C=8C=CC=CC8
inchi:
InChI=1/C40H34N8O2/c1-49-37-27-31(23-25-35(37)45-39(29-15-7-3-8-16-29)41-47(43-45)33-19-11-5-12-20-33)32-24-26-36(38(28-32)50-2)46-40(30-17-9-4-10-18-30)42-48(44-46)34-21-13-6-14-22-34/h3-28,43-44H,1-2H3


name: Benzenamine, 4,4'-(diphenylmethylene)bis[N,N-diethyl-
cas: 23308-53-4
chemspiderid: 81302
dtxsid: DTXSID5066873
formula: C33H38N2
inchikey: WKXQCUSZXNBUPZ-UHFFFAOYSA-N
norman_susdat_id: NS00027399
pubchem_cid: 90062
smiles: CCN(CC)c1ccc(cc1)C(c1ccccc1)(c1ccccc1)c1ccc(cc1)N(CC)CC
inchi:
InChI=1S/C33H38N2/c1-5-34(6-2)31-23-19-29(20-24-31)33(27-15-11-9-12-16-27,28-17-13-10-14-18-28)30-21-25-32(26-22-30)35(7-3)8-4/h9-26H,5-8H2,1-4H3


cas: 23311-75-3
chemspiderid: 82085
dtxsid: DTXSID0066874
formula: C21H20N4O4S2
inchikey: ORKGLYPHVVPLHD-UHFFFAOYSA-N
norman_susdat_id: NS00027400
pubchem_cid: 90903
smiles: CCc1c(NS(=O)(=O)C2=CC(=[N+]=[N-])C=CC2=NS(=O)(=O)c2ccc(C)cc2)cccc1
name:
Benzenesulfonamide, N-[4-diazo-2-[[(2-ethylphenyl)amino]sulfonyl]-2,5-cyclohexadien-1-ylidene]-4-methyl-

inchi:
InChI=1S/C21H20N4O4S2/c1-3-16-6-4-5-7-19(16)24-31(28,29)21-14-17(23-22)10-13-20(21)25-30(26,27)18-11-8-15(2)9-12-18/h4-14,24H,3H2,1-2H3/b25-20+


name: Spectinomycin sulphate
cas: 23312-56-3
formula: C14H24N2O7.H2O4S
inchikey: XGBFWQUQYQIFLB-MTTMTQIXSA-N
norman_susdat_id: NS00084480
smiles: CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O.OS(=O)(=O)O
inchi:
InChI=1/C14H24N2O7.H2O4S/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;1-5(2,3)4/h5,7-13,15-16,18-20H,4H2,1-3H3;(H2,1,2,3,4)


cas: 23313-92-0
dtxsid: DTXSID20945989
formula: C27H30F6N4
inchikey: DHQWBSMIFSPLNM-UHFFFAOYSA-O
norman_susdat_id: NS00051399
pubchem_cid: 3015156
smiles: FC(F)(F)C1=CC=C2C(=C1)N(C(=CC=CC3N(C4=CC(=CC=C4[NH+]3CC)C(F)(F)F)CC)N2CC)CC
name:
2-[3-[1,3-diethyl-1,3-dihydro-5-(trifluoromethyl)-2H-benzimidazol-2-ylidene]-1-propenyl]-1,3-diethyl-5-(trifluoromethyl)-1H-benzimidazolium

inchi:
InChI=1/C27H30F6N4/c1-5-34-20-14-12-18(26(28,29)30)16-22(20)36(7-3)24(34)10-9-11-25-35(6-2)21-15-13-19(27(31,32)33)17-23(21)37(25)8-4/h9-17,24H,5-8H2,1-4H3/p+1


name: 1-Deoxy-1-(octylamino)-D-glucitol
cas: 23323-37-7
chemspiderid: 81304
dtxsid: DTXSID70177874
formula: C14H31N1O5
inchikey: ZRRNJJURLBXWLL-REWJHTLYSA-N
norman_susdat_id: NS00027401
pubchem_cid: 90064
smiles: CCCCCCCCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
inchi:
InChI=1S/C14H31NO5/c1-2-3-4-5-6-7-8-15-9-11(17)13(19)14(20)12(18)10-16/h11-20H,2-10H2,1H3/t11-,12+,13+,14+/m0/s1


name: Cefalex
cas: 23325-78-2
chebiid: CHEBI:135750
chemspiderid: 16735971
formula: C22H27N3O6S1
inchikey: DIGADQKVPFDJSI-SPYBWZPUSA-N
norman_susdat_id: NS00011599
pubchem_cid: 20055002
smiles: CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](c3ccccc3)N)SC1)C(=O)OCOC(=O)C(C)(C)C
inchi:
InChI=1S/C22H27N3O6S/c1-12-10-32-19-15(24-17(26)14(23)13-8-6-5-7-9-13)18(27)25(19)16(12)20(28)30-11-31-21(29)22(2,3)4/h5-9,14-15,19H,10-11,23H2,1-4H3,(H,24,26)/t14-,15-,19-/m1/s1


name: 3,4,5,6-tetrahydro-5-methyl-1-phenyl-1H-2,5-benzoxazocine hydrochloride
cas: 23327-57-3
formula: C17H19NO.ClH
inchikey: CNNVSINJDJNHQK-UHFFFAOYSA-N
norman_susdat_id: NS00084481
smiles: Cl.CN1CCOC(c2ccccc2)c3ccccc3C1
inchi:
InChI=1/C17H19NO.ClH/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18;/h2-10,17H,11-13H2,1H3;1H


cas: 233275-76-8
formula: C19H17F2N7O
inchikey: GOIFCXRIFSYPFG-UHFFFAOYSA-N
norman_susdat_id: NS00073052
pubchem_cid: 22609888
smiles: Cn1ncnc1COc1nn2c(-c3c(F)cccc3F)nnc2cc1C1CCC1
name:
5-({[7-cyclobutyl-3-(2,6-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]oxy}methyl)-1-methyl-1h-1,2,4-triazole

inchi:
InChI=1S/C19H17F2N7O/c1-27-16(22-10-23-27)9-29-19-12(11-4-2-5-11)8-15-24-25-18(28(15)26-19)17-13(20)6-3-7-14(17)21/h3,6-8,10-11H,2,4-5,9H2,1H3


name: 2-(2H-Benzotriazol-2-yl)-6-dodecyl-4-methylphenol
cas: 23328-53-2
chemspiderid: 77893
dtxsid: DTXSID3051886
formula: C25H35N3O1
inchikey: VQMHSKWEJGIXGA-UHFFFAOYSA-N
norman_susdat_id: NS00019514
pubchem_cid: 86375
smiles: CCCCCCCCCCCCC1=CC(C)=CC(N2N=C3C=CC=CC3=N2)=C1O
inchi:
InChI=1S/C25H35N3O/c1-3-4-5-6-7-8-9-10-11-12-15-21-18-20(2)19-24(25(21)29)28-26-22-16-13-14-17-23(22)27-28/h13-14,16-19,29H,3-12,15H2,1-2H3


name: 1H-Imidazole, 2-heptadecyl-
cas: 23328-87-2
chemspiderid: 81308
dtxsid: DTXSID0066878
formula: C20H38N2
inchikey: YTWBFUCJVWKCCK-UHFFFAOYSA-N
norman_susdat_id: NS00021891
pubchem_cid: 90068
smiles: CCCCCCCCCCCCCCCCCc1ncc[nH]1
inchi:
InChI=1S/C20H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h18-19H,2-17H2,1H3,(H,21,22)


name: Iron oleate
cas: 23335-74-2
formula: C18H34O2.xFe
inchikey: DEVYBOZJYUYBMC-KVVVOXFISA-N
norman_susdat_id: NS00084489
smiles: [Fe].OC(=O)CCCCCCC/C=C\CCCCCCCC
inchi:
InChI=1/C18H34O2.Fe/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h9-10H,2-8,11-17H2,1H3,(H,19,20);/q;+2


name: Bis[2-hydroxyethyl]ammonium dihydrogen citrate
cas: 23349-61-3
formula: C6H8O7.xC4H11NO2
inchikey: SCOUYYCCBDRYLF-UHFFFAOYSA-L
norman_susdat_id: NS00085481
smiles: OCC[NH2+]CCO.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C6H8O7.C4H11NO2/c7-3(8)1-6(13,5(11)12)2-4(9)10;6-3-1-5-2-4-7/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);5-7H,1-4H2/p-2


name: 4-Thiazolidinone, 3-ethyl-5-[(1-ethyl-2(1H)-quinolinylidene)ethylidene]-2-thioxo-
cas: 23350-56-3
chemspiderid: 82088
dtxsid: DTXSID9066881
formula: C18H18N2O1S2
inchikey: VXTRKKVTLJDOET-UHFFFAOYSA-N
norman_susdat_id: NS00027404
pubchem_cid: 90907
smiles: CCN1C(=S)S/C(=C/C=c/2ccc3c(cccc3)n2CC)/C1=O
inchi:
InChI=1S/C18H18N2OS2/c1-3-19-14(10-9-13-7-5-6-8-15(13)19)11-12-16-17(21)20(4-2)18(22)23-16/h5-12H,3-4H2,1-2H3/b14-11+,16-12+


name: 4H-1,2,4-Triazolium, 5-[[4-(dimethylamino)phenyl]azo]-1,4-dimethyl-, methyl sulfate
cas: 23354-43-0
formula: -
inchikey: ZRVPOURSNDQODC-UHFFFAOYSA-M
norman_susdat_id: NS00093317
smiles: Cn2cn[n+](C)c2N=Nc1ccc(cc1)N(C)C.[O-]S(=O)(=O)OC
inchi:
InChI=1/C12H17N6.CH4O4S/c1-16(2)11-7-5-10(6-8-11)14-15-12-17(3)9-13-18(12)4;1-5-6(2,3)4/h5-9H,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 23354-52-1
formula: C27H22ClN7O16S5
inchikey: VEJNUEOLNOYTLZ-UHFFFAOYSA-J
norman_susdat_id: NS00052220
pubchem_cid: 135730769
name:
Tetrasodium 5-[[4-chloro-6-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C27H22ClN7O16S5.4Na/c28-25-31-26(29-15-4-3-5-16(12-15)52(37,38)9-8-51-56(48,49)50)33-27(32-25)30-19-13-17(53(39,40)41)10-14-11-21(55(45,46)47)23(24(36)22(14)19)35-34-18-6-1-2-7-20(18)54(42,43)44;;;;/h1-7,10-13,36H,8-9H2,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,29,30,31,32,33);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])OCCS(=O)(=O)C=1C=CC=C(C1)NC2=NC(Cl)=NC(=N2)NC3=CC(=CC4=CC(=C(N=NC=5C=CC=CC5S(=O)(=O)[O-])C(O)=C43)S(=O)(=O)[O-])S(=O)(=O)[O-]


name: C.I. Disperse Brown 1
cas: 23355-64-8
chemspiderid: 29561
dtxsid: DTXSID9066883
formula: C16H15Cl3N4O4
inchikey: HXXLWTPFYWMBSC-QZQOTICOSA-N
norman_susdat_id: NS00013637
pubchem_cid: NA
smiles: OCCN(CCO)c1ccc(N=Nc2c(Cl)cc(cc2Cl)[N+]([O-])=O)c(Cl)c1
inchi:
InChI=1S/C16H15Cl3N4O4/c17-12-7-10(22(3-5-24)4-6-25)1-2-15(12)20-21-16-13(18)8-11(23(26)27)9-14(16)19/h1-2,7-9,24-25H,3-6H2


name: 2-butoxyethyl 2-(4-chloro-2-methylphenoxy)propionate
cas: 23359-62-8
formula: C16H23ClO4
inchikey: GWFGUAFFJVHZKY-UHFFFAOYSA-N
norman_susdat_id: NS00051465
pubchem_cid: 90909
smiles: O=C(OCCOCCCC)C(OC1=CC=C(Cl)C=C1C)C
inchi:
InChI=1/C16H23ClO4/c1-4-5-8-19-9-10-20-16(18)13(3)21-15-7-6-14(17)11-12(15)2/h6-7,11,13H,4-5,8-10H2,1-3H3


cas: 23368-55-0
dtxsid: DTXSID4066884
formula: C27H33N2O6S4
inchikey: OCKFAYCPGGIZTF-UHFFFAOYSA-N
norman_susdat_id: NS00051467
pubchem_cid: NA
smiles: [H+].O=S(=O)([O-])CCCN1C(SC2=CC=C(C=C21)C)=CC(=CC=3SC=4C=CC(=CC4[N+]3CCCS(=O)(=O)[O-])C)CC
name:
Hydrogen 5-methyl-2-[2-[[5-methyl-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-3-(3-sulphonatopropyl)benzothiazolium

inchi:
InChI=1/C27H32N2O6S4.H2/c1-4-21(17-26-28(11-5-13-38(30,31)32)22-15-19(2)7-9-24(22)36-26)18-27-29(12-6-14-39(33,34)35)23-16-20(3)8-10-25(23)37-27;/h7-10,15-18H,4-6,11-14H2,1-3H3,(H-,30,31,32,33,34,35);1H/q;+1/p-1


cas: 23368-58-3
dtxsid: DTXSID40946039
formula: C39H41N2O8S2
inchikey: PNBPXAZPFGEQNX-UHFFFAOYSA-N
norman_susdat_id: NS00051000
pubchem_cid: NA
name:
Hydrogen 5-phenyl-2-[2-[[5-phenyl-3-(4-sulphonatobutyl)-3H-benzoxazol-2-ylidene]methyl]but-1-enyl]-3-(4-sulphonatobutyl)benzoxazolium

inchi:
InChI=1/C39H40N2O8S2.H2/c1-2-29(25-38-40(21-9-11-23-50(42,43)44)34-27-32(17-19-36(34)48-38)30-13-5-3-6-14-30)26-39-41(22-10-12-24-51(45,46)47)35-28-33(18-20-37(35)49-39)31-15-7-4-8-16-31;/h3-8,13-20,25-28H,2,9-12,21-24H2,1H3,(H-,42,43,44,45,46,47);1H/q;+1/p-1

smiles:
[H+].O=S(=O)([O-])CCCCN1C(OC=2C=CC(=CC21)C=3C=CC=CC3)=CC(=CC=4OC5=CC=C(C=C5[N+]4CCCCS(=O)(=O)[O-])C=6C=CC=CC6)CC


name: 2,4-dioxo-1,3-diazetidine-1,3-diylbis[methylene(1,5,5-trimethylcyclohexane-1,3-diyl)] diisocyanate
cas: 23370-68-5
dtxsid: DTXSID60885234
formula: C24H36N4O4
inchikey: RVJCLQNZJHNSIT-UHFFFAOYSA-N
norman_susdat_id: NS00051468
pubchem_cid: 90916
smiles: O=C=NC1CC(C)(C)CC(C)(CN2C(=O)N(C2=O)CC3(C)CC(N=C=O)CC(C)(C)C3)C1
inchi:
InChI=1/C24H36N4O4/c1-21(2)7-17(25-15-29)9-23(5,11-21)13-27-19(31)28(20(27)32)14-24(6)10-18(26-16-30)8-22(3,4)12-24/h17-18H,7-14H2,1-6H3


name: Benzene, 1,3-bis[3-(3-phenoxyphenoxy)phenoxy]-
cas: 23374-15-4
chemspiderid: 81317
dtxsid: DTXSID4066886
formula: C42H30O6
inchikey: YOHIVSZDAABZDJ-UHFFFAOYSA-N
norman_susdat_id: NS00027407
pubchem_cid: 90077
smiles: O(c1ccccc1)c1cc(Oc2cc(Oc3cc(Oc4cc(Oc5cccc(Oc6ccccc6)c5)ccc4)ccc3)ccc2)ccc1
inchi:
InChI=1S/C42H30O6/c1-3-12-31(13-4-1)43-33-16-7-18-35(26-33)45-37-20-9-22-39(28-37)47-41-24-11-25-42(30-41)48-40-23-10-21-38(29-40)46-36-19-8-17-34(27-36)44-32-14-5-2-6-15-32/h1-30H


name: Thiazinamium
cas: 2338-21-8
chebiid: CHEBI:135268
chemspiderid: 5794
formula: C18H23N2S1
inchikey: CDXCCYNINPIWGE-UHFFFAOYSA-N
norman_susdat_id: NS00008949
pubchem_cid: 6016
smiles: CC(CN1c2ccccc2Sc2ccccc12)[N+](C)(C)C
inchi:
InChI=1S/C18H23N2S/c1-14(20(2,3)4)13-19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19/h5-12,14H,13H2,1-4H3/q+1


name: 2-Amino-4-chloro-N-(2-methylphenyl)-5-sulfamoylbenzamide
cas: 23380-54-3
chemspiderid: 81319
dtxsid: DTXSID80177941
formula: C14H14Cl1N3O3S1
inchikey: YWXVGSRRJLYMHX-UHFFFAOYSA-N
norman_susdat_id: NS00027409
pubchem_cid: 90079
smiles: Cc1c(NC(=O)c2cc(c(Cl)cc2N)S(=O)(=O)N)cccc1
inchi:
InChI=1S/C14H14ClN3O3S/c1-8-4-2-3-5-12(8)18-14(19)9-6-13(22(17,20)21)10(15)7-11(9)16/h2-7H,16H2,1H3,(H,18,19)(H2,17,20,21)


name: Didodecyldimethylammonium hydroxide
cas: 23381-53-5
formula: C26H56N.HO
inchikey: KZOIWQKIVZDOGH-UHFFFAOYSA-M
norman_susdat_id: NS00084784
smiles: [OH-].CCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCCC
inchi:
InChI=1/C26H56N.H2O/c1-5-7-9-11-13-15-17-19-21-23-25-27(3,4)26-24-22-20-18-16-14-12-10-8-6-2;/h5-26H2,1-4H3;1H2/q+1;/p-1


name: Sodium 1,4-dicyclohexyl sulphonatosuccinate
cas: 23386-52-9
dtxsid: DTXSID8027826
inchikey: QPSVFNQMURAADJ-UHFFFAOYSA-M
norman_susdat_id: NS00067018
pubchem_cid: 3563590
smiles: C1CCCCC1OC(=O)CC(C(=O)OC1CCCCC1)S(=O)(=O)[O-]
inchi:
InChI=1S/C16H26O7S/c17-15(22-12-7-3-1-4-8-12)11-14(24(19,20)21)16(18)23-13-9-5-2-6-10-13/h12-14H,1-11H2,(H,19,20,21)/p-1


name: Leurosine
cas: 23390-92-1
chebiid: CHEBI:6430
chemspiderid: 442111
formula: C46H56N4O9
inchikey: LPGWZGMPDKDHEP-HLTPFJCJSA-N
norman_susdat_id: NS00094492
pubchem_cid: 390638
smiles:
CC[C@]12CN3CCC4=C([C@](C[C@H](C3)[C@H]1O2)(C5=C(C=C6C(=C5)[C@]78CCN9[C@H]7[C@@](C=CC9)([C@H]([C@@]([C@@H]8N6C)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)NC1=CC=CC=C41


cas: 23394-07-2
dtxsid: DTXSID40946059
formula: C33H48O9
inchikey: RHUWHHKCSPTUNK-UHFFFAOYSA-N
norman_susdat_id: NS00051001
pubchem_cid: 90920
smiles: O=COC1CC2(O)C3CCC4CC(OC5OC(C)C6OC(OC6C5)(C)C)CCC4(C)C3CCC2(C)C1C7=CC(=O)OC7
name:
3ß-[(2,6-dideoxy-3,4-O-isopropylidene-ß-D-ribo-hexopyranosyl)oxy]-14,16ß-dihydroxy-5ß-card-20(22)-enolide 16-formate

inchi:
InChI=1/C33H48O9/c1-18-29-24(41-30(2,3)42-29)14-27(39-18)40-21-8-10-31(4)20(13-21)6-7-23-22(31)9-11-32(5)28(19-12-26(35)37-16-19)25(38-17-34)15-33(23,32)36/h12,17-18,20-25,27-29,36H,6-11,13-16H2,1-5H3


name: Bis[cholest-5-en-3ß-yl] sebacate
cas: 23394-16-3
formula: C64H106O4
inchikey: WUHFQANUEHARLW-VXOVUZAMSA-N
norman_susdat_id: NS00051413
pubchem_cid: 56843220
inchi:
InChI=1/C64H106O4/c1-43(2)19-17-21-45(5)53-29-31-55-51-27-25-47-41-49(33-37-61(47,7)57(51)35-39-63(53,55)9)67-59(65)23-15-13-11-12-14-16-24-60(66)68-50-34-38-62(8)48(42-50)26-28-52-56-32-30-54(46(6)22-18-20-44(3)4)64(56,10)40-36-58(52)62/h25-26,43-46,49-58H,11-24,27-42H2,1-10H3

smiles:
O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCCCC(=O)OC5CC6=CCC7C(CCC8(C)C(CCC78)C(C)CCCC(C)C)C6(C)CC5


name: 9-[3-(dimethylamino)propyl]-2-(trifluoromethyl)thioxanthen-9-ol
cas: 2340-57-0
dtxsid: DTXSID10946061
formula: C19H20F3NOS
inchikey: QWIVUCLTMDQHOY-UHFFFAOYSA-N
norman_susdat_id: NS00049423
pubchem_cid: 102787
smiles: FC(F)(F)C1=CC=C2SC=3C=CC=CC3C(O)(C2=C1)CCCN(C)C
inchi:
InChI=1/C19H20F3NOS/c1-23(2)11-5-10-18(24)14-6-3-4-7-16(14)25-17-9-8-13(12-15(17)18)19(20,21)22/h3-4,6-9,12,24H,5,10-11H2,1-2H3


name: 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundec-2-en-1-ol
cas: 2340-84-3
dtxsid: DTXSID70379992
formula: C11H5F17O
inchikey: SZUDACTYWYPFLY-UHFFFAOYSA-N
norman_susdat_id: NS00111226
smiles: OCC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H5F17O/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/h1-2,29H,3H2


name: Brevianamide A
cas: 23402-09-7
chemspiderid: 21447237
dtxsid: DTXSID90891803
formula: C21H23N3O3
inchikey: MWOFPQAPILIIPR-DJJZHVJBSA-N
norman_susdat_id: NS00094877
pubchem_cid: 99771
smiles: CC1([C@@H]2C[C@@]34CCCN3C(=O)[C@]2(C[C@]15C(=O)C6=CC=CC=C6N5)NC4=O)C
inchi:
InChI=1S/C21H23N3O3/c1-18(2)14-10-19-8-5-9-24(19)17(27)20(14,23-16(19)26)11-21(18)15(25)12-6-3-4-7-13(12)22-21/h3-4,6-7,14,22H,5,8-11H2,1-2H3,(H,23,26)/t14-,19+,20+,21-/m0/s1


cas: 23406-33-9
formula: C25H33N2O
inchikey: BNTOLCPHWGFGRP-UHFFFAOYSA-J
norman_susdat_id: NS00051002
pubchem_cid: NA
name:
Bis[2-[2-[4-[(2-ethoxyethyl)ethylamino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium] tetrachlorozincate

inchi:
InChI=1/2C25H33N2O.4ClH.Zn/c2*1-6-27(18-19-28-7-2)21-15-12-20(13-16-21)14-17-24-25(3,4)22-10-8-9-11-23(22)26(24)5;;;;;/h2*8-17H,6-7,18-19H2,1-5H3;4*1H;/q2*+1;;;;;+2/p-4/r2C25H33N2O.Cl4Zn/c2*1-6-27(18-19-28-7-2)21-15-12-20(13-16-21)14-17-24-25(3,4)22-10-8-9-11-23(22)26(24)5;1-5(2,3)4/h2*8-17H,6-7,18-19H2,1-5H3;/q2*+1;-2

smiles:
Cl[Zn-2](Cl)(Cl)Cl.O(CC)CCN(C1=CC=C(C=C1)C=CC2=[N+](C=3C=CC=CC3C2(C)C)C)CC.O(CC)CCN(C1=CC=C(C=C1)C=CC2=[N+](C=3C=CC=CC3C2(C)C)C)CC


name: 2-[[4-(dimethylamino)phenyl]azo]-3-ethyl-6-methoxybenzothiazolium trichlorozincate
cas: 23408-72-2
dtxsid: DTXSID20885235
formula: C18H21N4OS
inchikey: WXFOZZFNFPNBAQ-UHFFFAOYSA-K
norman_susdat_id: NS00052238
pubchem_cid: 161419
smiles: Cl[Zn-](Cl)Cl.N(=NC=1SC=2C=C(OC)C=CC2[N+]1CC)C3=CC=C(C=C3)N(C)C
inchi:
InChI=1/C18H21N4OS.3ClH.Zn/c1-5-22-16-11-10-15(23-4)12-17(16)24-18(22)20-19-13-6-8-14(9-7-13)21(2)3;;;;/h6-12H,5H2,1-4H3;3*1H;/q+1;;;;+2/p-3/rC18H21N4OS.Cl3Zn/c1-5-22-16-11-10-15(23-4)12-17(16)24-18(22)20-19-13-6-8-14(9-7-13)21(2)3;1-4(2)3/h6-12H,5H2,1-4H3;/q+1;-1


name: Bis(dibutyldithiocarbamato-S,S')iron
cas: 23408-95-9
formula: C18H36FeN2S4
inchikey: QVMOWRWQZWIPNY-UHFFFAOYSA-L
norman_susdat_id: NS00085498
smiles: CCCCN(CCCC)C(=S)S[Fe]SC(=S)N(CCCC)CCCC
inchi:
InChI=1/2C9H19NS2.Fe/c2*1-3-5-7-10(9(11)12)8-6-4-2;/h2*3-8H2,1-2H3,(H,11,12);/q;;+2/p-2/rC18H36FeN2S4/c1-5-9-13-20(14-10-6-2)17(22)24-19-25-18(23)21(15-11-7-3)16-12-8-4/h5-16H2,1-4H3


name: Bis(butyldithiocarbamato-S,S')zinc
cas: 23409-02-1
formula: C10H20N2S4Zn
inchikey: UYPNGYWOKLGXGM-UHFFFAOYSA-L
norman_susdat_id: NS00084826
smiles: CCCCNC(=S)S[Zn]SC(=S)NCCCC
inchi:
InChI=1/2C5H11NS2.Zn/c2*1-2-3-4-6-5(7)8;/h2*2-4H2,1H3,(H2,6,7,8);/q;;+2/p-2/rC10H20N2S4Zn/c1-3-5-7-11-9(13)15-17-16-10(14)12-8-6-4-2/h3-8H2,1-2H3,(H,11,13)(H,12,14)


name: 1,4-bis(Perfluorooctyl) maleate
cas: 234096-30-1
dtxsid: DTXSID90897042
formula: C20H2F34O4
inchikey: OGBKVDKHMNTXID-UPHRSURJSA-N
norman_susdat_id: NS00112209
inchi:
InChI=1S/C20H2F34O4/c21-5(22,9(29,30)13(37,38)17(45,46)47)7(25,26)11(33,34)15(41,42)19(51,52)57-3(55)1-2-4(56)58-20(53,54)16(43,44)12(35,36)8(27,28)6(23,24)10(31,32)14(39,40)18(48,49)50/h1-2H/b2-1-

smiles:
[H]C(=C(/[H])C(=O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OC(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: Barium dipalmitate
cas: 23410-25-5
formula: C16H32O2.1/2Ba
inchikey: RAVAZXZOSFZIRB-UHFFFAOYSA-L
norman_susdat_id: NS00084515
smiles: [Ba+2].CCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C16H32O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2*2-15H2,1H3,(H,17,18);/q;;+2/p-2


name: Hydroxyaluminium bis(O-acetylsalicylate)
cas: 23413-80-1
formula: C18H15AlO9
inchikey: MANKSFVECICGLK-UHFFFAOYSA-K
norman_susdat_id: NS00084204
smiles: O=C(C)Oc1ccccc1C([O-])=O.[Al+2]O.[O-]C(=O)c1ccccc1OC(C)=O
inchi:
InChI=1/2C9H8O4.Al.H2O/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;;/h2*2-5H,1H3,(H,11,12);;1H2/q;;+3;/p-3/r2C9H8O4.AlHO/c2*1-6(10)13-8-5-3-2-4-7(8)9(11)12;1-2/h2*2-5H,1H3,(H,11,12);2H/q;;+2/p-2


name: 4-toluenesulfonate of 5-[[4-(dimethylamino)phenyl]azo]-1,4-dimethyl-4H-1,2,4-triazolium
cas: 23419-38-7
formula: -
inchikey: JFXNYLQPNYKNBB-UHFFFAOYSA-M
norman_susdat_id: NS00093008
smiles: Cn2cn[n+](C)c2/N=N/c1ccc(cc1)N(C)C.[O-]S(=O)(=O)c1ccc(C)cc1
inchi:
InChI=1/C12H17N6.C7H8O3S/c1-16(2)11-7-5-10(6-8-11)14-15-12-17(3)9-13-18(12)4;1-6-2-4-7(5-3-6)11(8,9)10/h5-9H,1-4H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


cas: 23422-12-0
formula: C29H20ClN7O11S3.3Na
inchikey: ROHGQIQUQCTSOK-UHFFFAOYSA-K
norman_susdat_id: NS00084205
name:
Trisodium 1-amino-4-[3-[[4-chloro-6-(3-sulphonatoanilino)-1,3,5-triazin-2-yl]amino]-4-sulphonatoanilino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C29H20ClN7O11S3.3Na/c30-27-35-28(33-13-4-3-5-15(10-13)49(40,41)42)37-29(36-27)34-18-11-14(8-9-20(18)50(43,44)45)32-19-12-21(51(46,47)48)24(31)23-22(19)25(38)16-6-1-2-7-17(16)26(23)39;;;/h1-12,32H,31H2,(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36,37);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(c(Nc5nc(Cl)nc(Nc6cccc(c6)S(=O)(=O)[O-])n5)c4)S(=O)(=O)[O-])cc1S(=O)(=O)[O-]


name: Methyl 7-(5-acetamido-2-methoxyphenyl)-3-oxo-2,4,10-trioxa-7-azaundecan-11-oate
cas: 23422-31-3
chemspiderid: 81334
dtxsid: DTXSID20177980
formula: C17H24N2O8
inchikey: FFJABVUGEBUVTI-UHFFFAOYSA-N
norman_susdat_id: NS00027414
pubchem_cid: 90095
smiles: COC(=O)OCCN(CCOC(=O)OC)c1c(OC)ccc(NC(=O)C)c1
inchi:
InChI=1S/C17H24N2O8/c1-12(20)18-13-5-6-15(23-2)14(11-13)19(7-9-26-16(21)24-3)8-10-27-17(22)25-4/h5-6,11H,7-10H2,1-4H3,(H,18,20)


cas: 23422-33-5
chemspiderid: 81335
dtxsid: DTXSID8066892
formula: C23H25Br1N6O12
inchikey: CVESYTJURSOGNA-UHFFFAOYSA-N
norman_susdat_id: NS00027415
pubchem_cid: 90096
smiles: COC(=O)OCCN(CCOC(=O)OC)c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
name:
2,4,10-Trioxa-7-azaundecan-11-oic acid, 7-[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-methoxyphenyl]-3-oxo-, methyl ester

inchi:
InChI=1S/C23H25BrN6O12/c1-13(31)25-16-11-18(28(5-7-41-22(32)39-3)6-8-42-23(33)40-4)20(38-2)12-17(16)26-27-21-15(24)9-14(29(34)35)10-19(21)30(36)37/h9-12H,5-8H2,1-4H3,(H,25,31)/b27-26+


cas: 23422-38-0
formula: C51H74O3
inchikey: MRNDHKDDXFOYMT-UHFFFAOYSA-N
norman_susdat_id: NS00051280
pubchem_cid: NA
name:
3,3'',5,5''-tetra-tert-butyl-5'-(3,5-di-tert-butyl-4-hydroxyphenyl]-2',4',6'-trimethyl[1,1':3',1''-terphenyl]-4,4'-diol

inchi:
InChI=1/C51H74O3/c1-29-40(31-24-36(47(9,10)11)43(52)37(25-31)48(12,13)14)30(2)42(33-26-38(49(15,16)17)44(53)39(27-33)50(18,19)20)51(21,54)41(29)32-22-34(45(3,4)5)28-35(23-32)46(6,7)8/h22-28,40,52-54H,1-21H3

smiles:
OC=1C(=CC(=CC1C(C)(C)C)C2=C(C)C(C=3C=C(C(O)=C(C3)C(C)(C)C)C(C)(C)C)C(=C(C=4C=C(C=C(C4)C(C)(C)C)C(C)(C)C)C2(O)C)C)C(C)(C)C


cas: 23427-51-2
dtxsid: DTXSID90946084
formula: C28H28N6
inchikey: LLKSCIDUAHNQFJ-CMBBICFISA-N
norman_susdat_id: NS00051281
pubchem_cid: NA
smiles: [I-].N=1C=2C=CC=CC2N=C3C1N(CC=C)C(C=CC=4C(=NN(C=5C=CC=CC5)C4C)C)[NH+]3CC=C
name:
1,3-diallyl-2-[2-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)vinyl]-1H-imidazo[4,5-b]quinoxalinium iodide

inchi:
InChI=1/C28H28N6.HI/c1-5-18-32-26(17-16-23-20(3)31-34(21(23)4)22-12-8-7-9-13-22)33(19-6-2)28-27(32)29-24-14-10-11-15-25(24)30-28;/h5-17,26H,1-2,18-19H2,3-4H3;1H


name: Tetrahydropiperine
cas: 23434-88-0
chemspiderid: 505596
dtxsid: DTXSID00177988
formula: C17H23N1O3
inchikey: APZYKUZPJCQGPP-UHFFFAOYSA-N
norman_susdat_id: NS00027417
pubchem_cid: 581676
smiles: O=C(CCCCc1cc2c(OCO2)cc1)N1CCCCC1
inchi:
InChI=1S/C17H23NO3/c19-17(18-10-4-1-5-11-18)7-3-2-6-14-8-9-15-16(12-14)21-13-20-15/h8-9,12H,1-7,10-11,13H2


name: Perfluoroazelaic acid
cas: 23453-64-7
chemspiderid: 60959
dtxsid: DTXSID10379774
formula: C9H2F14O4
inchikey: WRYSWXOLGMKBKW-UHFFFAOYSA-N
norman_susdat_id: NS00018863
pubchem_cid: 2776030
smiles: OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(O)=O
inchi:
InChI=1S/C9H2F14O4/c10-3(11,1(24)25)5(14,15)7(18,19)9(22,23)8(20,21)6(16,17)4(12,13)2(26)27/h(H,24,25)(H,26,27)


name: Cyclohexylmethyl 17-ß-hydroxyestra-4,9,11-trien-3-one carbonate
cas: 23454-33-3
chebiid: CHEBI:134706
dtxsid: DTXSID20946113
formula: C26H34O4
inchikey: GQJSFWYQKNQCIK-APFRJGHOSA-N
norman_susdat_id: NS00051846
pubchem_cid: 20055297
smiles: O=C(OCC1CCCCC1)OC2CCC3C4C(C=CC23C)=C5C(=CC(=O)CC5)CC4
inchi:
InChI=1/C26H34O4/c1-26-14-13-21-20-10-8-19(27)15-18(20)7-9-22(21)23(26)11-12-24(26)30-25(28)29-16-17-5-3-2-4-6-17/h13-15,17,22-24H,2-12,16H2,1H3


cas: 23455-88-1
dtxsid: DTXSID80946114
formula: C26H42FN5O3S2
inchikey: PTXRDRHMHUOBAH-UHFFFAOYSA-N
norman_susdat_id: NS00051059
pubchem_cid: 21150930
smiles: O=C(NC1=CC=CC(=C1)S(=O)(=O)F)NN2C(=S)NN=C2CCCCCCCCCCCCCCCCC
name:
m-[[[(3-heptadecyl-1,5-dihydro-5-thioxo-4H-1,2,4-triazol-4-yl)amino]carbonyl]amino]benzenesulphonyl fluoride

inchi:
InChI=1/C26H42FN5O3S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-29-30-26(36)32(24)31-25(33)28-22-18-17-19-23(21-22)37(27,34)35/h17-19,21H,2-16,20H2,1H3,(H,30,36)(H2,28,31,33)


cas: 23455-89-2
dtxsid: DTXSID8066896
formula: C26H43N5O4S2
inchikey: CPOQUTNRVYYLIM-UHFFFAOYSA-M
norman_susdat_id: NS00050586
pubchem_cid: NA
smiles: [Na+].O=C(NC1=CC=CC(=C1)S(=O)(=O)[O-])NN2C(=S)NN=C2CCCCCCCCCCCCCCCCC
name:
Sodium 3-[[[(1,5-dihydro-3-heptadecyl-5-thioxo-4H-1,2,4-triazol-4-yl)amino]carbonyl]amino]benzenesulphonate

inchi:
InChI=1/C26H43N5O4S2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-24-28-29-26(36)31(24)30-25(32)27-22-18-17-19-23(21-22)37(33,34)35;/h17-19,21H,2-16,20H2,1H3,(H,29,36)(H2,27,30,32)(H,33,34,35);/q;+1/p-1


name: 21-Hydroxypregna-4,9(11),16-triene-3,20-dione 21-acetate
cas: 23460-76-6
chemspiderid: 82112
dtxsid: DTXSID20178013
formula: C23H28O4
inchikey: ZBULDJKFUGQBQC-PTRHGPIFSA-N
norman_susdat_id: NS00027425
pubchem_cid: 11111384
smiles: CC(=O)OCC(=O)C1=CCC2C3CCC4=CC(=O)CCC4(C)C3=CCC12C
inchi:
InChI=1S/C23H28O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h7,9,12,17-18H,4-6,8,10-11,13H2,1-3H3/t17-,18-,22+,23-/m0/s1


name: Choline stearate
cas: 23464-76-8
chemspiderid: 81347
dtxsid: DTXSID60178017
formula: C23H48N1O2
inchikey: SGFBLYBOTWZDDE-UHFFFAOYSA-N
norman_susdat_id: NS00027426
pubchem_cid: 90111
smiles: CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C
inchi:
InChI=1S/C23H48NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(25)26-22-21-24(2,3)4/h5-22H2,1-4H3/q+1


name: Caroverine hydrochloride
cas: 23465-76-1
chebiid: CHEBI:135541
chemspiderid: 59135
dtxsid: DTXSID6049010
formula: C22H27N3O2
inchikey: MSPRUJDUTKRMLM-UHFFFAOYSA-N
norman_susdat_id: NS00002702
pubchem_cid: 65709
smiles: CCN(CC)CCn1c2ccccc2nc(Cc2ccc(OC)cc2)c1=O
inchi:
InChI=1S/C22H27N3O2/c1-4-24(5-2)14-15-25-21-9-7-6-8-19(21)23-20(22(25)26)16-17-10-12-18(27-3)13-11-17/h6-13H,4-5,14-16H2,1-3H3


name: Disodium 6-hydroxy-5-((3-sulphonatophenyl)azo)naphthalene-2-sulphonate
cas: 2347-72-0
chemspiderid: 4886455
dtxsid: DTXSID90893685
formula: C16H12N2O7S2
inchikey: LMOKZRGFJDEEMO-FBMGVBCBSA-N
norman_susdat_id: NS00013480
pubchem_cid: 6914155
smiles: [Na+].[Na+].[O-][S](=O)(=O)c1cccc(NN=C2C(=O)C=Cc3cc(ccc23)[S]([O-])(=O)=O)c1
inchi:
InChI=1S/C16H12N2O7S2.2Na/c19-15-7-4-10-8-13(27(23,24)25)5-6-14(10)16(15)18-17-11-2-1-3-12(9-11)26(20,21)22;;/h1-9,17H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2/b18-16+;;


name: Thioproperazine dimesilate
cas: 2347-80-0
chebiid: CHEBI:32218
formula: C22H30N4O2S2.2CH4O3S
inchikey: QPMDKXBBAVQDCB-UHFFFAOYSA-N
norman_susdat_id: NS00083000
smiles: CN(C)S(=O)(=O)c1ccc2Sc3ccccc3N(CCCN4CCN(C)CC4)c2c1.CS(=O)(=O)O.CS(=O)(=O)O
inchi:
InChI=1/C22H30N4O2S2.2CH4O3S/c1-23(2)30(27,28)18-9-10-22-20(17-18)26(19-7-4-5-8-21(19)29-22)12-6-11-25-15-13-24(3)14-16-25;2*1-5(2,3)4/h4-5,7-10,17H,6,11-16H2,1-3H3;2*1H3,(H,2,3,4)


name: 2-morpholinoethyl 2-(a,a,a-trifluoro-m-toluidino)nicotinate monohydrochloride
cas: 23476-71-3
dtxsid: DTXSID60946157
formula: C19H20F3N3O3
inchikey: FYBLYUCJZSTSKR-UHFFFAOYSA-N
norman_susdat_id: NS00051060
pubchem_cid: 72106
smiles: Cl.O=C(OCCN1CCOCC1)C2=CC=CN=C2NC3=CC=CC(=C3)C(F)(F)F
inchi:
InChI=1/C19H20F3N3O3.ClH/c20-19(21,22)14-3-1-4-15(13-14)24-17-16(5-2-6-23-17)18(26)28-12-9-25-7-10-27-11-8-25;/h1-6,13H,7-12H2,(H,23,24);1H


name: 1-Naphthalenesulfonic acid, 4-[(4-hydroxy-1-naphthalenyl)azo]-
cas: 23481-28-9
chemspiderid: 4706431
dtxsid: DTXSID8066898
formula: C20H14N2O4S1
inchikey: GOLZWFYDAGUDPO-UHFFFAOYSA-N
norman_susdat_id: NS00021066
pubchem_cid: NA
smiles: OS(=O)(=O)c1ccc(N/N=C/2C=CC(=O)c3ccccc23)c2ccccc12
inchi:
InChI=1S/C20H14N2O4S/c23-19-11-9-17(13-5-1-3-7-15(13)19)21-22-18-10-12-20(27(24,25)26)16-8-4-2-6-14(16)18/h1-12,22H,(H,24,25,26)/b21-17+


name: 3,7-bis(dimethylamino)-1,9-dimethylphenothiazin-5-ium chloride
cas: 23481-50-7
dtxsid: DTXSID10178047
formula: C18H22N3S
inchikey: JRMSLDWZFJZLAS-UHFFFAOYSA-M
norman_susdat_id: NS00051847
pubchem_cid: 123898
smiles: [Cl-].N=1C2=C([S+]=C3C=C(C=C(C13)C)N(C)C)C=C(C=C2C)N(C)C
inchi:
InChI=1/C18H22N3S.ClH/c1-11-7-13(20(3)4)9-15-17(11)19-18-12(2)8-14(21(5)6)10-16(18)22-15;/h7-10H,1-6H3;1H/q+1;/p-1


name: Ethyl 4-hydroxy-4-(3-(trifluoromethyl)phenyl)piperidine-1-carboxylate
cas: 23482-34-0
chemspiderid: 81353
dtxsid: DTXSID30178049
formula: C15H18F3N1O3
inchikey: GKXBDEHOLDJPBP-UHFFFAOYSA-N
norman_susdat_id: NS00027432
pubchem_cid: 90118
smiles: CCOC(=O)N1CCC(O)(CC1)c1cc(ccc1)C(F)(F)F
inchi:
InChI=1S/C15H18F3NO3/c1-2-22-13(20)19-8-6-14(21,7-9-19)11-4-3-5-12(10-11)15(16,17)18/h3-5,10,21H,2,6-9H2,1H3


name: Diethyl(2-((4-phenylpiperidin-4-yl)oxy))ethylamine
cas: 23482-39-5
chemspiderid: 81354
dtxsid: DTXSID40178050
formula: C17H28N2O1
inchikey: AJWDNBGJSDKTMC-UHFFFAOYSA-N
norman_susdat_id: NS00027433
pubchem_cid: 90119
smiles: CCN(CC)CCOC1(CCNCC1)c1ccccc1
inchi:
InChI=1S/C17H28N2O/c1-3-19(4-2)14-15-20-17(10-12-18-13-11-17)16-8-6-5-7-9-16/h5-9,18H,3-4,10-15H2,1-2H3


name: Phenol, 4-[5-(4-methyl-1-piperazinyl)[2,5'-bi-1H-benzimidazol]-2'-yl]-
cas: 23491-44-3
chebiid: CHEBI:52082
chemspiderid: 21172902
dtxsid: DTXSID3066899
formula: C25H24N6O1
inchikey: INAAIJLSXJJHOZ-UHFFFAOYSA-N
norman_susdat_id: NS00027434
pubchem_cid: NA
smiles: CN1CCN(CC1)c1cc2c(cc1)nc([nH]2)c1cc2c([nH]c(=C3C=CC(=O)C=C3)[nH]2)cc1
inchi:
InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16/h2-9,14-15,26,28H,10-13H2,1H3,(H,27,29)


name: p-[5-(4-methyl-1-piperazinyl)[2,5'-bi-1H-benzimidazol]-2'-yl]phenol trihydrochloride
cas: 23491-45-4
formula: C25H24N6O.3ClH
inchikey: XWCFXEWIPVRWFD-UHFFFAOYSA-N
norman_susdat_id: NS00084537
smiles: Cl.Cl.Cl.CN1CCN(CC1)C2=CC3=NC(=C4C=CC5=NC(=NC5=C4)c6ccc(O)cc6)N=C3C=C2
inchi:
InChI=1/C25H22N6O.3ClH/c1-30-10-12-31(13-11-30)18-5-9-21-23(15-18)29-25(27-21)17-4-8-20-22(14-17)28-24(26-20)16-2-6-19(32)7-3-16;;;/h2-9,14-15,32H,10-13H2,1H3;3*1H


name: HOE 33342
cas: 23491-52-3
chebiid: CHEBI:51232
chemspiderid: 10645824
dtxsid: DTXSID80178059
formula: C27H28N6O1
inchikey: PRDFBSVERLRRMY-UHFFFAOYSA-N
norman_susdat_id: NS00027435
pubchem_cid: 1464
smiles: CCOc1ccc(cc1)c1nc2c([nH]1)cc(cc2)c1nc2c([nH]1)cc(cc2)N1CCN(C)CC1
inchi:
InChI=1S/C27H28N6O/c1-3-34-21-8-4-18(5-9-21)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-7-20(17-25(23)31-27)33-14-12-32(2)13-15-33/h4-11,16-17H,3,12-15H2,1-2H3,(H,28,30)(H,29,31)


name: DL-1-(5-chloro-2-(methylamino)phenyl)-1,2,3,4-tetrahydroisoquinoline
cas: 23495-28-5
dtxsid: DTXSID40946175
formula: C16H17ClN2
inchikey: XRUIERQCHYNNEP-UHFFFAOYSA-N
norman_susdat_id: NS00050587
pubchem_cid: 90939
smiles: ClC1=CC=C(NC)C(=C1)C2NCCC=3C=CC=CC32
inchi:
InChI=1/C16H17ClN2/c1-18-15-7-6-12(17)10-14(15)16-13-5-3-2-4-11(13)8-9-19-16/h2-7,10,16,18-19H,8-9H2,1H3


name: Isoverticine
cas: 23496-43-7
chemspiderid: 21573744
formula: C27H45NO3
inchikey: IUKLSMSEHKDIIP-RZNVUHDWSA-N
norman_susdat_id: NS00094277
pubchem_cid: 10181190
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]4C[C@H]([C@@H]6[C@@]5(CC[C@@H](C6)O)C)O)(C)O


name: N6-oleoyl-L-lysine
cas: 23499-75-4
formula: C24H46N2O3
inchikey: QYANHRRURYBYLY-DYYZXQNHSA-N
norman_susdat_id: NS00050588
pubchem_cid: 6436547
smiles: O=C(NCCCCC(N)C(=O)O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C24H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)26-21-18-17-19-22(25)24(28)29/h9-10,22H,2-8,11-21,25H2,1H3,(H,26,27)(H,28,29)


name: N-(2,3-Difluoro-Benzyl)-4-Sulfamoyl-Benzamide
cas: 235088-49-0
dtxsid: DTXSID80274323
formula: C14H12F2N2O3S
inchikey: QASSMVGOSBNFQY-UHFFFAOYSA-N
norman_susdat_id: NS00069142
pubchem_cid: 1700
smiles: NS(=O)(=O)c1ccc(C(=O)NCc2cccc(F)c2F)cc1
inchi:
InChI=1S/C14H12F2N2O3S/c15-12-3-1-2-10(13(12)16)8-18-14(19)9-4-6-11(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)


name: n-(2,3,4,5,6-pentaflouro-benzyl)-4-sulfamoyl-benzamide
cas: 235088-65-0
dtxsid: DTXSID30332200
formula: C14H9F5N2O3S
inchikey: LRKSHOLYETXPGY-UHFFFAOYSA-N
norman_susdat_id: NS00069140
pubchem_cid: 445770
smiles: NS(=O)(=O)c1ccc(C(=O)NCc2c(F)c(F)c(F)c(F)c2F)cc1
inchi:
InChI=1S/C14H9F5N2O3S/c15-9-8(10(16)12(18)13(19)11(9)17)5-21-14(22)6-1-3-7(4-2-6)25(20,23)24/h1-4H,5H2,(H,21,22)(H2,20,23,24)


name: Batrachotoxin
cas: 23509-16-2
dtxsid: DTXSID50893767
formula: C31H42N2O6
inchikey: ISNYUQWBWALXEY-OMIQOYQYSA-N
norman_susdat_id: NS00075463
inchi:
InChI=1S/C31H42N2O6/c1-18-16-32-19(2)25(18)26(35)38-20(3)22-8-9-30-23-7-6-21-14-29(36)11-10-27(21,4)31(23,39-29)24(34)15-28(22,30)17-33(5)12-13-37-30/h7-8,16,20-21,24,32,34,36H,6,9-15,17H2,1-5H3/t20-,21+,24+,27-,28-,29+,30-,31-/m0/s1

smiles:
[H][C@]12CC=C3[C@@]45CC=C([C@H](C)OC(=O)C6=C(C)NC=C6C)[C@]4(C[C@@H](O)[C@@]33O[C@](O)(CC[C@@]13C)C2)CN(C)CCO5


name: Micafungin
cas: 235114-32-6
chemspiderid: 2339421
dtxsid: DTXSID90873341
formula: C56H71N9O23S1
inchikey: PIEUQSKUWLMALL-UHFFFAOYSA-N
norman_susdat_id: NS00005374
pubchem_cid: 3081921
inchi:
InChI=1S/C56H71N9O23S/c1-4-5-6-17-86-32-14-11-28(12-15-32)39-21-33(63-87-39)27-7-9-29(10-8-27)49(75)58-34-20-38(70)52(78)62-54(80)45-46(72)25(2)23-65(45)56(82)43(37(69)22-41(57)71)60-53(79)44(48(74)47(73)30-13-16-36(68)40(18-30)88-89(83,84)85)61-51(77)35-19-31(67)24-64(35)55(81)42(26(3)66)59-50(34)76/h7-16,18,21,25-26,31,34-35,37-38,42-48,52,66-70,72-74,78H,4-6,17,19-20,22-24H2,1-3H3,(H2,57,71)(H,58,75)(H,59,76)(H,60,79)(H,61,77)(H,62,80)(H,83,84,85)

smiles:
CCCCCOc1ccc(cc1)-c1cc(no1)-c1ccc(cc1)C(=O)NC1CC(O)C(O)NC(=O)C2C(O)C(C)CN2C(=O)C(NC(=O)C(NC(=O)C2CC(O)CN2C(=O)C(NC1=O)C(C)O)C(O)C(O)c1ccc(O)c(OS(O)(=O)=O)c1)C(O)CC(N)=O


name: (6)-Gingerol
cas: 23513-14-6
chebiid: CHEBI:10136
chemspiderid: 391126
dtxsid: DTXSID3041035
formula: C17H26O4
inchikey: NLDDIKRKFXEWBK-AWEZNQCLSA-N
norman_susdat_id: NS00027445
pubchem_cid: 442793
smiles: CCCCC[C@H](O)CC(=O)CCc1cc(OC)c(O)cc1
inchi:
InChI=1S/C17H26O4/c1-3-4-5-6-14(18)12-15(19)9-7-13-8-10-16(20)17(11-13)21-2/h8,10-11,14,18,20H,3-7,9,12H2,1-2H3/t14-/m0/s1


name: 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)tetradecan-3-one
cas: 23513-15-7
chebiid: CHEBI:175490
formula: C21H34O4
inchikey: AIULWNKTYPZYAN-UHFFFAOYSA-N
norman_susdat_id: NS00097289
smiles: CCCCCCCCCC(CC(=O)CCC1=CC(=C(C=C1)O)OC)O
inchi:
InChI=1S/C21H34O4/c1-3-4-5-6-7-8-9-10-18(22)16-19(23)13-11-17-12-14-20(24)21(15-17)25-2/h12,14-15,18,22,24H,3-11,13,16H2,1-2H3


cas: 23515-59-5
formula: C22H26N2O4S.ClH
inchikey: HDRXZJPWHTXQRI-UHFFFAOYSA-N
norman_susdat_id: NS00085187
smiles: Cl.COc1ccc(cc1)C2Sc3ccccc3N(CCN(C)C)C(=O)C2OC(=O)C
name:
3-acetoxy-5-[2-(dimethylamino)ethyl]-2,3-dihydro-2-(4-methoxyphenyl)-1,5-benzothiazepin-4(5H)-one monohydrochloride

inchi:
InChI=1/C22H26N2O4S.ClH/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;/h5-12,20-21H,13-14H2,1-4H3;1H


name: (-)-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-methoxy-1H-benzotriazole-5-carboxamide dihydrochloride
cas: 23519-20-2
formula: C15H21N5O2.2ClH
inchikey: AEPQMVYWWGIIJE-UHFFFAOYSA-N
norman_susdat_id: NS00084560
smiles: Cl.Cl.CCN1CCCC1CNC(=O)c2cc3[nH]nnc3cc2OC
inchi:
InChI=1/C15H21N5O2.2ClH/c1-3-20-6-4-5-10(20)9-16-15(21)11-7-12-13(18-19-17-12)8-14(11)22-2;;/h7-8,10H,3-6,9H2,1-2H3,(H,16,21)(H,17,18,19);2*1H


name: 2-((Bis(2-((1-oxooctadecyl)amino)ethyl)amino)carbonyl)benzoic acid
cas: 2352-88-7
chemspiderid: 67910
dtxsid: DTXSID80178110
formula: C48H85N3O5
inchikey: CJMFXGGZYSIPRT-UHFFFAOYSA-N
norman_susdat_id: NS00027447
pubchem_cid: 75375
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCN(CCNC(=O)CCCCCCCCCCCCCCCCC)C(=O)c1c(cccc1)C(=O)O
inchi:
InChI=1S/C48H85N3O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-45(52)49-39-41-51(47(54)43-35-33-34-36-44(43)48(55)56)42-40-50-46(53)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-36H,3-32,37-42H2,1-2H3,(H,49,52)(H,50,53)(H,55,56)


name: butanedioic acid, 2-sulfo-, 1,4-didecyl ester
cas: 23524-64-3
chemspiderid: 82125
dtxsid: DTXSID80275875
formula: C24H46O7S1
inchikey: HWJHLQSSWFHRQU-UHFFFAOYSA-N
norman_susdat_id: NS00013571
pubchem_cid: 90944
smiles: [Na+].CCCCCCCCCCOC(=O)CC(C(=O)OCCCCCCCCCC)[S]([O-])(=O)=O
inchi:
InChI=1S/C24H46O7S.Na/c1-3-5-7-9-11-13-15-17-19-30-23(25)21-22(32(27,28)29)24(26)31-20-18-16-14-12-10-8-6-4-2;/h22H,3-21H2,1-2H3,(H,27,28,29);/q;+1/p-1


name: FD&amp;C Green No. 3
cas: 2353-45-9
chebiid: CHEBI:82468
dtxsid: DTXSID3020673
formula: C37H37N2O10S3
inchikey: RZSYLLSAWYUBPE-UHFFFAOYSA-L
norman_susdat_id: NS00048130
pubchem_cid: 16888
inchi:
InChI=1/C37H36N2O10S3.2Na/c1-3-38(24-26-7-5-9-33(21-26)50(41,42)43)30-15-11-28(12-16-30)37(35-20-19-32(40)23-36(35)52(47,48)49)29-13-17-31(18-14-29)39(4-2)25-27-8-6-10-34(22-27)51(44,45)46;;/h5-23H,3-4,24-25H2,1-2H3,(H3,41,42,43,44,45,46,47,48,49);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(C1)CN(C2=CC=C(C=C2)C(=C3C=CC(C=C3)=[N+](CC4=CC=CC(=C4)S(=O)(=O)[O-])CC)C5=CC=C(O)C=C5S(=O)(=O)[O-])CC


name: 6ß-fluoro-3ß,5a,17,21-tetrahydroxy-16a-methylpregnan-20-one 21-acetate
cas: 2353-58-4
formula: C24H37FO6
inchikey: KQTAJQABUFCAQB-HRXZAKAYSA-N
norman_susdat_id: NS00049511
pubchem_cid: 102245
smiles: O=C(OCC(=O)C1(O)C(C)CC2C3CC(F)C4(O)CC(O)CCC4(C)C3CCC21C)C
inchi:
InChI=1/C24H37FO6/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/h13,15-19,27,29-30H,5-12H2,1-4H3


cas: 23531-54-6
dtxsid: DTXSID60946293
formula: C13H34O7SSi3
inchikey: MRGYRDHLFUIMCN-UHFFFAOYSA-M
norman_susdat_id: NS00051871
pubchem_cid: 53437989
smiles: [Na+].O=S(=O)([O-])CC(O)COCCC[Si](O[Si](C)(C)C)(O[Si](C)(C)C)C
name:
Sodium 2-hydroxy-3-[3-[1,3,3,3-tetramethyl-1-[(trimethylsilyl)oxy]disiloxanyl]propoxy]propane-1-sulphonate

inchi:
InChI=1/C13H34O7SSi3.Na/c1-22(2,3)19-24(7,20-23(4,5)6)10-8-9-18-11-13(14)12-21(15,16)17;/h13-14H,8-12H2,1-7H3,(H,15,16,17);/q;+1/p-1


name: 5-[[4-(diethylamino)phenyl]azo]-1,4-dimethyl-1H-1,2,4-triazolium methyl sulphate
cas: 23532-28-7
dtxsid: DTXSID00904357
formula: C14H22N6
inchikey: MIQCPUZBYVPWIJ-UHFFFAOYSA-N
norman_susdat_id: NS00051118
pubchem_cid: 161100
smiles: O=S(=O)([O-])OC.N(=NC1N(C=N[NH+]1C)C)C2=CC=C(C=C2)N(CC)CC
inchi:
InChI=1/C14H22N6.CH4O4S/c1-5-20(6-2)13-9-7-12(8-10-13)16-17-14-18(3)11-15-19(14)4;1-5-6(2,3)4/h7-11,14H,5-6H2,1-4H3;1H3,(H,2,3,4)


cas: 23532-29-8
dtxsid: DTXSID50889685
formula: C25H18ClN7O10S3
inchikey: OLUKDHJHJDYLGN-UHFFFAOYSA-K
norman_susdat_id: NS00050650
pubchem_cid: 161424
name:
Trisodium 7-[[4-chloro-6-[(3-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C25H18ClN7O10S3.3Na/c26-23-29-24(27-14-4-3-5-16(12-14)44(35,36)37)31-25(30-23)28-15-8-9-17-13(10-15)11-20(46(41,42)43)21(22(17)34)33-32-18-6-1-2-7-19(18)45(38,39)40;;;/h1-12,34H,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H2,27,28,29,30,31);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(C1)NC=2N=C(Cl)N=C(N2)NC=3C=CC=4C(C3)=CC(=C(N=NC=5C=CC=CC5S(=O)(=O)[O-])C4O)S(=O)(=O)[O-]


name: Rugulosin
cas: 23537-16-8
chemspiderid: 56511
dtxsid: DTXSID40891838
formula: C30H22O10
inchikey: QFDPVUTXKUGISP-NVWQCAADSA-N
norman_susdat_id: NS00094913
pubchem_cid: 10053075
inchi:
InChI=1S/C30H22O10/c1-7-3-9-13(11(31)5-7)21(33)17-25(37)20-23(35)15-16-24(36)19(29(15,17)27(9)39)26(38)18-22(34)14-10(28(40)30(16,18)20)4-8(2)6-12(14)32/h3-6,15-16,19-20,23-24,31-36H,1-2H3/t15?,16?,19-,20-,23?,24?,29-,30-/m1/s1

smiles:
CC1=CC(=C2C(=C1)C(=O)[C@]34[C@@H]5C(C6C3C([C@@H]([C@]67C(=C(C8=C(C=C(C=C8C7=O)C)O)O)C5=O)C(=O)C4=C2O)O)O)O


name: L-arginine, compound with (R)-N-(2,4-dihydroxy-3,3-dimethylbutyryl)-ß-alanine (1:1)
cas: 23541-09-5
formula: C9H17NO5.C6H14N4O2
inchikey: GRDKQKZEPLXLTJ-JXJGXUGVSA-N
norman_susdat_id: NS00084293
smiles: CC(C)(CO)[C@@H](O)C(=O)NCCC(=O)O.N[C@@H](CCCNC(=N)N)C(=O)O
inchi:
InChI=1/C9H17NO5.C6H14N4O2/c1-9(2,5-11)7(14)8(15)10-4-3-6(12)13;7-4(5(11)12)2-1-3-10-6(8)9/h7,11,14H,3-5H2,1-2H3,(H,10,15)(H,12,13);4H,1-3,7H2,(H,11,12)(H4,8,9,10)


name: Barium N-formimidoyl-L-glutamate (1:2)
cas: 23541-42-6
formula: C6H10N2O4.1/2Ba
inchikey: RHMPAHWRPPVTNF-SCGRZTRASA-J
norman_susdat_id: NS00084571
smiles: [Ba].[O-]C(=O)CC[C@H](NC=N)C(=O)[O-].[O-]C(=O)CC[C@H](NC=N)C(=O)[O-]
inchi:
InChI=1/2C6H10N2O4.Ba/c2*7-3-8-4(6(11)12)1-2-5(9)10;/h2*3-4H,1-2H2,(H2,7,8)(H,9,10)(H,11,12);/q;;+2/p-4


name: Daunorubicin hydrochloride
cas: 23541-50-6
chebiid: CHEBI:31456
formula: C27H29NO10.ClH
inchikey: GUGHGUXZJWAIAS-QQYBVWGSSA-N
norman_susdat_id: NS00084572
smiles: Cl.COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)C
inchi:
InChI=1/C27H29NO10.ClH/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33;/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3;1H


name: Benzenamine, 3-methyl-N-[3-[(3-methylphenyl)amino]-2-propenylidene]-
cas: 23545-77-9
chemspiderid: 21172907
dtxsid: DTXSID5066904
formula: C17H18N2
inchikey: YLFXCOHVYROVSG-UHFFFAOYSA-N
norman_susdat_id: NS00027448
pubchem_cid: 90951
smiles: Cc1cccc(N/C=C/C=Nc2cc(C)ccc2)c1
inchi:
InChI=1S/C17H18N2/c1-14-6-3-8-16(12-14)18-10-5-11-19-17-9-4-7-15(2)13-17/h3-13,18H,1-2H3/b10-5+,19-11+


name: 2-(N-Methylperfluorooctanesulfonamido)acetic acid (MeFOSAA)
cas: 2355-31-9
chebiid: CHEBI:83506
chemspiderid: 11316301
dtxsid: DTXSID10624392
formula: C11H6F17N1O4S1
inchikey: QNDHIRFIMVNHBN-UHFFFAOYSA-N
norman_susdat_id: NS00000427
pubchem_cid: 22286931
smiles: FC(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)S(=O)(=O)N(C)CC(O)=O
inchi:
InChI=1S/C11H6F17NO4S/c1-29(2-3(30)31)34(32,33)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h2H2,1H3,(H,30,31)


name: Bis-(1H,1H,7H-perfluoroheptyl) (1S,3R)-camphorate
cas: 2355-57-9
chemspiderid: 16737179
dtxsid: DTXSID80880180
formula: C24H20F24O4
inchikey: VPEPXOMYWDUPOA-RMLUDKJBSA-N
norman_susdat_id: NS00018864
pubchem_cid: NA
inchi:
InChI=1S/C24H20F24O4/c1-13(2)8(9(49)51-6-15(29,30)19(37,38)23(45,46)21(41,42)17(33,34)10(25)26)4-5-14(13,3)12(50)52-7-16(31,32)20(39,40)24(47,48)22(43,44)18(35,36)11(27)28/h8,10-11H,4-7H2,1-3H3

smiles:
CC1(C)[C@@H](CC[C@]1(C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F


name: Drocinonide
cas: 2355-59-1
formula: C24H35FO6
inchikey: GZBONOYGBJSTHF-QLRNAMTQSA-N
norman_susdat_id: NS00049512
pubchem_cid: 20055479
smiles: O=C1CCC2(C)C(C1)CCC3C4CC5OC(OC5(C(=O)CO)C4(C)CC(O)C32F)(C)C
inchi:
InChI=1/C24H35FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h13,15-17,19,26,28H,5-12H2,1-4H3


cas: 23552-74-1
chemspiderid: 81391
dtxsid: DTXSID5066906
formula: C44H52N4O6S2
inchikey: AYYCRXDSCYPSRP-UHFFFAOYSA-N
norman_susdat_id: NS00002517
pubchem_cid: 90157
name:
Benzenesulfonamide, 3,3'-[(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)diimino]bis[N-cyclohexyl-2,4,6-trimethyl-

inchi:
InChI=1S/C44H52N4O6S2/c1-25-23-27(3)43(55(51,52)47-31-15-9-7-10-16-31)29(5)39(25)45-35-21-22-36(38-37(35)41(49)33-19-13-14-20-34(33)42(38)50)46-40-26(2)24-28(4)44(30(40)6)56(53,54)48-32-17-11-8-12-18-32/h13-14,19-24,31-32,45-48H,7-12,15-18H2,1-6H3

smiles:
Cc1cc(C)c(c(C)c1Nc1ccc(Nc2c(C)cc(C)c(c2C)S(=O)(=O)NC2CCCCC2)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)NC1CCCCC1


name: 3-[(9,10-dihydro-4-hydroxy-9,10-dioxoanthryl)amino]-2-methylpropiononitrile
cas: 23552-75-2
dtxsid: DTXSID40885237
formula: C18H14N2O3
inchikey: QTQLGVMGVQNRMC-UHFFFAOYSA-N
norman_susdat_id: NS00050651
pubchem_cid: 90953
smiles: N#CC(C)CNC1=CC=C(O)C=2C(=O)C=3C=CC=CC3C(=O)C12
inchi:
InChI=1/C18H14N2O3/c1-10(8-19)9-20-13-6-7-14(21)16-15(13)17(22)11-4-2-3-5-12(11)18(16)23/h2-7,10,20-21H,9H2,1H3


name: 9,10-Anthracenedione, 1-hydroxy-4-[(4-methoxyphenyl)amino]-
cas: 23552-76-3
chemspiderid: 81392
dtxsid: DTXSID0066907
formula: C21H15N1O4
inchikey: RUUQNDPKAFJWBM-UHFFFAOYSA-N
norman_susdat_id: NS00027449
pubchem_cid: 90158
smiles: COc1ccc(Nc2ccc(O)c3c2C(=O)c2c(cccc2)C3=O)cc1
inchi:
InChI=1S/C21H15NO4/c1-26-13-8-6-12(7-9-13)22-16-10-11-17(23)19-18(16)20(24)14-4-2-3-5-15(14)21(19)25/h2-11,22-23H,1H3


name: 4-amino-6-[(6-amino-2-hydroxy-4-sulpho-1-naphthyl)azo]-5-hydroxynaphthalene-1,3-disulphonic acid
cas: 23554-16-7
formula: C20H16N4O11S3
inchikey: DTCBDSOJBSDRPZ-UHFFFAOYSA-N
norman_susdat_id: NS00050652
pubchem_cid: 90159
smiles: O=S(=O)(O)C1=CC(=C2C=CC(N=NC3=C(O)C=C(C4=CC(N)=CC=C34)S(=O)(=O)O)=C(O)C2=C1N)S(=O)(=O)O
inchi:
InChI=1/C20H16N4O11S3/c21-8-1-2-9-11(5-8)14(36(27,28)29)6-13(25)19(9)24-23-12-4-3-10-15(37(30,31)32)7-16(38(33,34)35)18(22)17(10)20(12)26/h1-7,25-26H,21-22H2,(H,27,28,29)(H,30,31,32)(H,33,34,35)


name: Sodium 5-allyl-5-isobutylbarbiturate
cas: 23554-70-3
formula: C11H16N2O3.Na
inchikey: LIZXGILRVOONMO-UHFFFAOYSA-M
norman_susdat_id: NS00085205
smiles: [Na+].CC(C)CC1(CC=C)C(=O)NC(=NC1=O)[O-]
inchi:
InChI=1/C11H16N2O3.Na/c1-4-5-11(6-7(2)3)8(14)12-10(16)13-9(11)15;/h4,7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16);/q;+1/p-1


name: Lagochilline
cas: 23554-81-6
chebiid: CHEBI:167853
chemspiderid: 5417062
dtxsid: DTXSID30392905
formula: C20H36O5
inchikey: XYPPDQHBNJURHU-IPOQXWOTSA-N
norman_susdat_id: NS00017351
pubchem_cid: 7061097
smiles: CC1CCC2C(C13CCC(O3)(CCO)CO)(CCC(C2(C)CO)O)C
inchi:
InChI=1S/C20H36O5/c1-14-4-5-15-17(2,12-22)16(24)6-7-18(15,3)20(14)9-8-19(13-23,25-20)10-11-21/h14-16,21-24H,4-13H2,1-3H3/t14-,15+,16+,17+,18+,19+,20-/m1/s1


cas: 23555-00-2
dtxsid: DTXSID40332276
formula: C27H29N7
inchikey: VMCOQLKKSNQANE-UHFFFAOYSA-N
norman_susdat_id: NS00068892
pubchem_cid: 448202
smiles: CN1CCN(c2ccc3nc(-c4ccc5nc(-c6ccc(N(C)C)cc6)[nH]c5c4)[nH]c3c2)CC1
name:
N,n-dimethyl-4-{6-[6-(4-methylpiperazin-1-yl)-1h-1,3-benzodiazol-2-yl]-1h-1,3-benzodiazol-2-yl}aniline

inchi:
InChI=1S/C27H29N7/c1-32(2)20-7-4-18(5-8-20)26-28-22-10-6-19(16-24(22)30-26)27-29-23-11-9-21(17-25(23)31-27)34-14-12-33(3)13-15-34/h4-11,16-17H,12-15H2,1-3H3,(H,28,30)(H,29,31)


name: D-Fructose, 1,6-bis(dihydrogen phosphate), sodium salt
cas: 23558-08-9
formula: C6H14O12P2.xNa
inchikey: LIDHWAYSXPENIT-UHFFFAOYSA-M
norman_susdat_id: NS00084561
smiles: OC1C(O)C(O)(COP(=O)(O)O)OC1COP(=O)(O)O[Na]
inchi:
InChI=1/C6H14O12P2.Na/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15;/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15);/q;+1/p-1/rC6H13NaO12P2/c7-19-21(14,15)16-1-3-4(8)5(9)6(10,18-3)2-17-20(11,12)13/h3-5,8-10H,1-2H2,(H,14,15)(H2,11,12,13)


name: Exo-2-(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl)-p-cresol
cas: 23559-40-2
dtxsid: DTXSID10946329
formula: C17H24O
inchikey: ZRCLPBCDJUWMRD-UHFFFAOYSA-N
norman_susdat_id: NS00051126
pubchem_cid: 21116586
smiles: OC1=CC=C(C=C1C2CC3CCC2(C)C3(C)C)C
inchi:
InChI=1/C17H24O/c1-11-5-6-15(18)13(9-11)14-10-12-7-8-17(14,4)16(12,2)3/h5-6,9,12,14,18H,7-8,10H2,1-4H3


name: Thiophanate-methyl
cas: 23564-05-8
chebiid: CHEBI:35014
chemspiderid: 2297683
dtxsid: DTXSID1024338
formula: C12H14N4O4S2
inchikey: QGHREAKMXXNCOA-UHFFFAOYSA-N
norman_susdat_id: NS00004932
pubchem_cid: 3032791
smiles: COC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OC
eea_notation: CAS_23564-05-8
inchi:
InChI=1S/C12H14N4O4S2/c1-19-11(17)15-9(21)13-7-5-3-4-6-8(7)14-10(22)16-12(18)20-2/h3-6H,1-2H3,(H2,13,15,17,21)(H2,14,16,18,22)


name: Thiophanate
cas: 23564-06-9
chebiid: CHEBI:82060
chemspiderid: 2297684
dtxsid: DTXSID3034531
formula: C14H18N4O4S2
inchikey: YFNCATAIYKQPOO-UHFFFAOYSA-N
norman_susdat_id: NS00005194
pubchem_cid: 3032792
smiles: CCOC(=O)NC(=S)Nc1ccccc1NC(=S)NC(=O)OCC
inchi:
InChI=1S/C14H18N4O4S2/c1-3-21-13(19)17-11(23)15-9-7-5-6-8-10(9)16-12(24)18-14(20)22-4-2/h5-8H,3-4H2,1-2H3,(H2,15,17,19,23)(H2,16,18,20,24)


name: Salicylic acid, compound with 2-(diethylamino)ethyl salicylate (1:1)
cas: 23565-36-8
dtxsid: DTXSID70946345
formula: C13H19NO3
inchikey: YYNGLQIOTDSHAZ-UHFFFAOYSA-N
norman_susdat_id: NS00051120
pubchem_cid: 57376073
smiles: O=C(O)C=1C=CC=CC1O.O=C(OCCN(CC)CC)C=1C=CC=CC1O
inchi:
InChI=1/C13H19NO3.C7H6O3/c1-3-14(4-2)9-10-17-13(16)11-7-5-6-8-12(11)15;8-6-4-2-1-3-5(6)7(9)10/h5-8,15H,3-4,9-10H2,1-2H3;1-4,8H,(H,9,10)


name: Procyanidin B3
cas: 23567-23-9
chebiid: CHEBI:75630
chemspiderid: 129476
dtxsid: DTXSID60178193
formula: C30H26O12
inchikey: XFZJEEAOWLFHDH-AVFWISQGSA-N
norman_susdat_id: NS00094744
pubchem_cid: 146798
inchi:
InChI=1S/C30H26O12/c31-13-7-20(37)24-23(8-13)41-29(12-2-4-16(33)19(36)6-12)27(40)26(24)25-21(38)10-17(34)14-9-22(39)28(42-30(14)25)11-1-3-15(32)18(35)5-11/h1-8,10,22,26-29,31-40H,9H2/t22-,26-,27-,28+,29+/m0/s1

smiles:
O[C@H]1CC2=C(O[C@@H]1C1=CC(O)=C(O)C=C1)C([C@H]1[C@H](O)[C@H](OC3=CC(O)=CC(O)=C13)C1=CC(O)=C(O)C=C1)=C(O)C=C2O


name: 8-bromoadenosine 5'-monophosphate
cas: 23567-96-6
dtxsid: DTXSID50946348
formula: C10H13BrN5O7P
inchikey: DNPIJKNXFSPNNY-UUOKFMHZSA-N
norman_susdat_id: NS00070890
pubchem_cid: 168120
smiles: Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O
inchi:
InChI=1S/C10H13BrN5O7P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(18)5(17)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,17-18H,1H2,(H2,12,13,14)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1


name: 1,1,1,2,2,3,3,10,10,11,11,12,12,12-Tetradecafluoro-5,8-diiodododecane
cas: 2357-30-4
dtxsid: DTXSID20895298
formula: C12H10F14I2
inchikey: WJNIYEZAXUFEOA-UHFFFAOYSA-N
norman_susdat_id: NS00109668
smiles: FC(F)(F)C(F)(F)C(F)(F)CC(I)CCC(I)CC(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C12H10F14I2/c13-7(14,9(17,18)11(21,22)23)3-5(27)1-2-6(28)4-8(15,16)10(19,20)12(24,25)26/h5-6H,1-4H2


name: Perfluorooctylsulfonylpropylaminoethyl acrylate
cas: 2357-60-0
chemspiderid: 92375
dtxsid: DTXSID40880181
formula: C16H14F17N1O4S1
inchikey: CZDIKJOTAVHOTJ-UHFFFAOYSA-N
norman_susdat_id: NS00011339
pubchem_cid: 102246
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)CCOC(=O)C=C)CC
inchi:
InChI=1S/C16H14F17NO4S/c1-3-5-34(6-7-38-8(35)4-2)39(36,37)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31/h4H,2-3,5-7H2,1H3


cas: 235775-81-2
dtxsid: DTXSID90882650
norman_susdat_id: NS00111999
name:
Copolymer of crotonic acid, 2-methylpropene, tetrafluoroethylene, vinyl benzoate, vinyl pivalate, 4-vinyloxy-1-butanol (insoluble in water, acid, alkali, and the contents of the component having molecular weight less than 1,000 is not more than 1%)


cas: 235775-84-5
dtxsid: DTXSID40882620
norman_susdat_id: NS00110288
name:
2-Propenoic acid, butyl ester, polymer with ethenyl chloroacetate, ethyl 2-propenoate, 2,2,3,3,4,4,5,5-octafluoropentyl 2-propenoate and 2,2,3,3-tetrafluoropropyl 2-propenoate (9CI)


cas: 235775-93-6
dtxsid: DTXSID20882688
norman_susdat_id: NS00109608
name:
Copolymer of perfluoroethylene, perfluoropropene, perfluoro2-(propoxy)propoxyethylene (insoluble in water, acid, alkali, and the contents of the component having molecular weight less than 1,000 is not more than 1%)


name: Bb-3497
cas: 235784-88-0
dtxsid: DTXSID80178216
formula: C16H31N3O4
inchikey: AVDLWYHBABSSHC-CHWSQXEVSA-N
norman_susdat_id: NS00069486
pubchem_cid: 159596
smiles: CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N(C)C)C(C)(C)C
inchi:
InChI=1S/C16H31N3O4/c1-7-8-9-12(10-19(23)11-20)14(21)17-13(16(2,3)4)15(22)18(5)6/h11-13,23H,7-10H2,1-6H3,(H,17,21)/t12-,13-/m1/s1


name: (carboxymethyl)trimethylammonium a-ethyl-1-hydroxycyclohexaneacetate
cas: 23579-12-6
formula: C10H17O3.C5H12NO2
inchikey: IZDWFXDNLQBVBJ-UHFFFAOYSA-N
norman_susdat_id: NS00084586
smiles: CCC(C(=O)[O-])C1(O)CCCCC1.C[N+](C)(C)CC(=O)O
inchi:
InChI=1/C10H18O3.C5H11NO2/c1-2-8(9(11)12)10(13)6-4-3-5-7-10;1-6(2,3)4-5(7)8/h8,13H,2-7H2,1H3,(H,11,12);4H2,1-3H3


name: Bis[2-(diphenylphosphino)ethyl]phenylphosphine
cas: 23582-02-7
dtxsid: DTXSID70178220
formula: C34H33P3
inchikey: AXVOAMVQOCBPQT-UHFFFAOYSA-N
norman_susdat_id: NS00051139
pubchem_cid: 90192
smiles: C=1C=CC(=CC1)P(C=2C=CC=CC2)CCP(C=3C=CC=CC3)CCP(C=4C=CC=CC4)C=5C=CC=CC5
inchi:
InChI=1/C34H33P3/c1-6-16-30(17-7-1)35(26-28-36(31-18-8-2-9-19-31)32-20-10-3-11-21-32)27-29-37(33-22-12-4-13-23-33)34-24-14-5-15-25-34/h1-25H,26-29H2


name: Tris(2-(diphenylphosphino)ethyl)phosphine
cas: 23582-03-8
chemspiderid: 89215
dtxsid: DTXSID30178221
formula: C42H42P4
inchikey: TVLNGWSWPKIYAO-UHFFFAOYSA-N
norman_susdat_id: NS00027455
pubchem_cid: 98777
smiles: C(CP(c1ccccc1)c1ccccc1)P(CCP(c1ccccc1)c1ccccc1)CCP(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C42H42P4/c1-7-19-37(20-8-1)44(38-21-9-2-10-22-38)34-31-43(32-35-45(39-23-11-3-12-24-39)40-25-13-4-14-26-40)33-36-46(41-27-15-5-16-28-41)42-29-17-6-18-30-42/h1-30H,31-36H2


name: 1,1,4,7,10,10-hexaphenyl-1,4,7,10-tetraphosphadecane
cas: 23582-04-9
dtxsid: DTXSID70946380
formula: C42H42P4
inchikey: TXFNTLLEAYZBGV-UHFFFAOYSA-N
norman_susdat_id: NS00051181
pubchem_cid: 90193
smiles: C=1C=CC(=CC1)P(C=2C=CC=CC2)CCP(C=3C=CC=CC3)CCP(C=4C=CC=CC4)CCP(C=5C=CC=CC5)C=6C=CC=CC6
inchi:
InChI=1/C42H42P4/c1-7-19-37(20-8-1)43(33-35-45(39-23-11-3-12-24-39)40-25-13-4-14-26-40)31-32-44(38-21-9-2-10-22-38)34-36-46(41-27-15-5-16-28-41)42-29-17-6-18-30-42/h1-30H,31-36H2


name: Bis[(2-diphenylarsinoethyl)phenyl]phosphine
cas: 23582-05-0
formula: C34H33As2P
inchikey: PIIYLMAKWDEVKK-UHFFFAOYSA-N
norman_susdat_id: NS00084628
smiles: C(Cc1ccccc1Pc2ccccc2CC[As](c3ccccc3)c4ccccc4)[As](c5ccccc5)c6ccccc6
inchi:
InChI=1/C40H37As2P/c1-5-19-35(20-6-1)41(36-21-7-2-8-22-36)31-29-33-17-13-15-27-39(33)43-40-28-16-14-18-34(40)30-32-42(37-23-9-3-10-24-37)38-25-11-4-12-26-38/h1-28,43H,29-32H2


name: [2-(diphenylarsino)ethyl]diphenylphosphine
cas: 23582-06-1
formula: C26H24AsP
inchikey: NIPPJMSKAOITEK-UHFFFAOYSA-N
norman_susdat_id: NS00084339
smiles: C(C[As](c1ccccc1)c2ccccc2)P(c3ccccc3)c4ccccc4
inchi:
InChI=1/C26H24AsP/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H,21-22H2


name: 8-bromoadenosine cyclic 3',5'-(hydrogen phosphate)
cas: 23583-48-4
chebiid: CHEBI:93872
dtxsid: DTXSID1040403
formula: C10H11BrN5O6P
inchikey: DVKQVRZMKBDMDH-UHFFFAOYSA-N
norman_susdat_id: NS00051200
pubchem_cid: 1913
smiles: O=P1(O)OCC2OC(N3C(Br)=NC=4C(=NC=NC43)N)C(O)C2O1
inchi:
InChI=1/C10H11BrN5O6P/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-5(17)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,17H,1H2,(H,18,19)(H2,12,13,14)


name: 2-[(4-chloro-1-naphthyl)methyl]-4,5-dihydroimidazolium chloride
cas: 23593-08-0
dtxsid: DTXSID60946394
formula: C14H13ClN2
inchikey: JOJMOKBPTKPWER-UHFFFAOYSA-N
norman_susdat_id: NS00051961
pubchem_cid: 194702
smiles: [Cl-].ClC1=CC=C(C=2C=CC=CC12)CC3=NCC[NH2+]3
inchi:
InChI=1/C14H13ClN2.ClH/c15-13-6-5-10(9-14-16-7-8-17-14)11-3-1-2-4-12(11)13;/h1-6H,7-9H2,(H,16,17);1H


name: Clotrimazole
cas: 23593-75-1
chebiid: CHEBI:3764
chemspiderid: 2710
dtxsid: DTXSID7029871
formula: C22H17Cl1N2
inchikey: VNFPBHJOKIVQEB-UHFFFAOYSA-N
norman_susdat_id: NS00000282
pubchem_cid: 2812
smiles: ClC1=C(C=CC=C1)C(N1C=CN=C1)(C1=CC=CC=C1)C1=CC=CC=C1
eea_notation: CAS_23593-75-1
inchi:
InChI=1S/C22H17ClN2/c23-21-14-8-7-13-20(21)22(25-16-15-24-17-25,18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-17H


name: 8-Bromo-9-{5-O-[hydroxy(phosphonooxy)phosphoryl]pentofuranosyl}-9H-purin-6-amine
cas: 23600-16-0
dtxsid: DTXSID30946422
formula: C10H14BrN5O10P2
inchikey: KVVVTFSHHQCHNZ-UUOKFMHZSA-N
norman_susdat_id: NS00070918
pubchem_cid: 447236
smiles: Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O)(O)O)[C@@H](O)[C@H]1O
inchi:
InChI=1S/C10H14BrN5O10P2/c11-10-15-4-7(12)13-2-14-8(4)16(10)9-6(18)5(17)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t3-,5-,6-,9-/m1/s1


name: Benfluorex
cas: 23602-78-0
chebiid: CHEBI:93826
chemspiderid: 2228
dtxsid: DTXSID5048471
formula: C19H20F3N1O2
inchikey: CJAVTWRYCDNHSM-UHFFFAOYSA-N
norman_susdat_id: NS00009247
pubchem_cid: 2318
smiles: CC(Cc1cccc(c1)C(F)(F)F)NCCOC(=O)c1ccccc1
inchi:
InChI=1S/C19H20F3NO2/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16/h2-9,13-14,23H,10-12H2,1H3


name: Octadecylguanidine monohydrochloride
cas: 23604-21-9
dtxsid: DTXSID10946425
formula: C19H41N3
inchikey: WPUFMGPAQNCUGT-UHFFFAOYSA-N
norman_susdat_id: NS00051962
pubchem_cid: 32023
smiles: Cl.N=C(N)NCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C19H41N3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21;/h2-18H2,1H3,(H4,20,21,22);1H


name: 4-amino-6-(2-amino-1,6-dimethyl-4-pyrimidinioamino)-1,2-dimethylquinolinium dichloride
cas: 23609-65-6
dtxsid: DTXSID20946431
formula: C17H21N6
inchikey: KMJWBVJQFGRCEB-UHFFFAOYSA-O
norman_susdat_id: NS00051201
pubchem_cid: NA
smiles: N=C1N=C(C=C(N1C)C)NC=2C=CC=3C(C2)=C(N)C=C([N+]3C)C
inchi:
InChI=1/C17H20N6/c1-10-7-14(18)13-9-12(5-6-15(13)22(10)3)20-16-8-11(2)23(4)17(19)21-16/h5-9,18H,1-4H3,(H2,19,20,21)/p+1


name: Benzyltributylammonium chloride
cas: 23616-79-7
formula: C19H34N.Cl
inchikey: VJGNLOIQCWLBJR-UHFFFAOYSA-M
norman_susdat_id: NS00084641
smiles: [Cl-].CCCC[N+](CCCC)(CCCC)Cc1ccccc1
inchi:
InChI=1/C19H34N.ClH/c1-4-7-15-20(16-8-5-2,17-9-6-3)18-19-13-11-10-12-14-19;/h10-14H,4-9,15-18H2,1-3H3;1H/q+1;/p-1


name: Phenol, 4,4'-cyclohexylidenebis[2-methyl-
cas: 2362-14-3
chemspiderid: 67921
dtxsid: DTXSID2074954
formula: C20H24O2
inchikey: SVOBELCYOCEECO-UHFFFAOYSA-N
norman_susdat_id: NS00004306
pubchem_cid: 75386
smiles: Cc1cc(ccc1O)C1(CCCCC1)c1ccc(O)c(C)c1
inchi:
InChI=1S/C20H24O2/c1-14-12-16(6-8-18(14)21)20(10-4-3-5-11-20)17-7-9-19(22)15(2)13-17/h6-9,12-13,21-22H,3-5,10-11H2,1-2H3


name: N,N-diethyl-N'-(3-phenyl-1,2,4-oxadiazol-5-yl)ethylenediamine monohydrochloride
cas: 23622-25-5
dtxsid: DTXSID70946441
formula: C14H20N4O
inchikey: IICLQAJULMEIPY-UHFFFAOYSA-N
norman_susdat_id: NS00051171
pubchem_cid: 87882
smiles: Cl.N=1OC(=NC1C=2C=CC=CC2)NCCN(CC)CC
inchi:
InChI=1/C14H20N4O.ClH/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);1H


cas: 23622-54-0
formula: C21H21N3O15S4
inchikey: VZLZQCMLVISMIY-UHFFFAOYSA-N
norman_susdat_id: NS00085263
smiles: COc1ccc(cc1S(=O)(=O)CCOS(O)(=O)=O)N=Nc3c(cc2cc(cc(NC(C)=O)c2c3O)S(O)(=O)=O)S(O)(=O)=O
name:
5-(acetylamino)-4-hydroxy-3-[[4-methoxy-3-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C21H21N3O15S4/c1-11(25)22-15-10-14(41(29,30)31)7-12-8-18(42(32,33)34)20(21(26)19(12)15)24-23-13-3-4-16(38-2)17(9-13)40(27,28)6-5-39-43(35,36)37/h3-4,7-10,26H,5-6H2,1-2H3,(H,22,25)(H,29,30,31)(H,32,33,34)(H,35,36,37)


name: Ethyl 5-oxo-1-phenyl-4-[[p-(phenylcarbamoyl)phenyl]azo]-2-pyrazoline-3-carboxylate
cas: 23622-57-3
formula: C25H21N5O4
inchikey: BOEYUOOSUXSRCQ-UHFFFAOYSA-N
norman_susdat_id: NS00051963
pubchem_cid: 46829427
smiles: O=C(OCC)C1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)NC=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C25H21N5O4/c1-2-34-25(33)22-21(24(32)30(29-22)20-11-7-4-8-12-20)28-27-19-15-13-17(14-16-19)23(31)26-18-9-5-3-6-10-18/h3-16,21H,2H2,1H3,(H,26,31)


name: (17ß).-hydroxyandrosta-1,4-dien-3-one acetate
cas: 2363-59-9
dtxsid: DTXSID60946450
formula: C21H28O3
inchikey: KPCDGGNHYODURF-UHFFFAOYSA-N
norman_susdat_id: NS00049386
pubchem_cid: 578831
smiles: O=C1C=CC2(C(=C1)CCC3C2CCC4(C)C(OC(=O)C)CCC34)C
inchi:
InChI=1/C21H28O3/c1-13(22)24-19-7-6-17-16-5-4-14-12-15(23)8-10-20(14,2)18(16)9-11-21(17,19)3/h8,10,12,16-19H,4-7,9,11H2,1-3H3


name: Heneicosanoic acid
cas: 2363-71-5
chebiid: CHEBI:39248
chemspiderid: 16012
dtxsid: DTXSID0021595
formula: C21H42O2
inchikey: CKDDRHZIAZRDBW-UHFFFAOYSA-N
norman_susdat_id: NS00021068
pubchem_cid: 16898
smiles: CCCCCCCCCCCCCCCCCCCCC(=O)O
inchi:
InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23/h2-20H2,1H3,(H,22,23)


name: 4-[[4-(diethylamino)-2-methylphenyl]imino]naphthalen-1(4H)-one
cas: 2363-97-5
formula: C21H22N2O
inchikey: BJKWNGBNEAYVDW-UHFFFAOYSA-N
norman_susdat_id: NS00049387
pubchem_cid: 75390
smiles: O=C1C=CC(=NC2=CC=C(C=C2C)N(CC)CC)C=3C=CC=CC13
inchi:
InChI=1/C21H22N2O/c1-4-23(5-2)16-10-11-19(15(3)14-16)22-20-12-13-21(24)18-9-7-6-8-17(18)20/h6-14H,4-5H2,1-3H3


name: 4-[[4-(diethylamino)phenyl]imino]naphthalen-1(4H)-one
cas: 2363-99-7
formula: C20H20N2O
inchikey: GFZAEDHEVXNEEA-UHFFFAOYSA-N
norman_susdat_id: NS00050047
pubchem_cid: 75391
smiles: O=C1C=CC(=NC2=CC=C(C=C2)N(CC)CC)C=3C=CC=CC13
inchi:
InChI=1/C20H20N2O/c1-3-22(4-2)16-11-9-15(10-12-16)21-19-13-14-20(23)18-8-6-5-7-17(18)19/h5-14H,3-4H2,1-2H3


cas: 23631-95-0
formula: C19H21NO4
inchikey: DJMNUGJBYYILNA-ZOWNYOTGSA-N
norman_susdat_id: NS00051202
pubchem_cid: 14039205
smiles: O=C(OC(C=1C=CC(=CC1)C=2C=CC=CC2)(C)C)NC(C(=O)O)C.N(C1CCCCC1)C2CCCCC2
name:
N-[(1-[1,1'-biphenyl]-4-yl-1-methylethoxy)carbonyl]-L-alanine, compound with dicyclohexylamine (1:1)

inchi:
InChI=1/C19H21NO4.C12H23N/c1-13(17(21)22)20-18(23)24-19(2,3)16-11-9-15(10-12-16)14-7-5-4-6-8-14;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-13H,1-3H3,(H,20,23)(H,21,22);11-13H,1-10H2


name: 4-tert-butyl hydrogen N-[(benzyloxy)carbonyl]-L-aspartate, compound with dicyclohexylamine (1:1)
cas: 23632-70-4
formula: C16H21NO6.C12H23N
inchikey: JEGXFHMMFLKBBW-YDALLXLXSA-N
norman_susdat_id: NS00085264
smiles: CC(C)(C)OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)O.C2CCC(CC2)NC3CCCCC3
inchi:
InChI=1/C16H21NO6.C12H23N/c1-16(2,3)23-13(18)9-12(14(19)20)17-15(21)22-10-11-7-5-4-6-8-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,12H,9-10H2,1-3H3,(H,17,21)(H,19,20);11-13H,1-10H2


name: Acetic acid, 2-(1-oxopropoxy)-, 1-(3,3-dimethylcyclohexyl)ethyl ester
cas: 236391-76-7
chemspiderid: 10688094
dtxsid: DTXSID0051360
formula: C15H26O4
inchikey: PDUFSBFWOJELLV-UHFFFAOYNA-N
norman_susdat_id: NS00019515
pubchem_cid: NA
smiles: CCC(=O)OCC(=O)OC(C)C1CCCC(C)(C)C1
inchi:
InChI=1S/C15H26O4/c1-5-13(16)18-10-14(17)19-11(2)12-7-6-8-15(3,4)9-12/h11-12H,5-10H2,1-4H3/t11-,12+/m0/s1


name: Eslicarbazepine acetate
cas: 236395-14-5
chebiid: CHEBI:87016
chemspiderid: 156110
dtxsid: DTXSID90178308
formula: C17H16N2O3
inchikey: QIALRBLEEWJACW-INIZCTEOSA-N
norman_susdat_id: NS00010246
pubchem_cid: 179344
smiles: CC(=O)O[C@H]1Cc2ccccc2N(C(N)=O)c2ccccc12
inchi:
InChI=1S/C17H16N2O3/c1-11(20)22-16-10-12-6-2-4-8-14(12)19(17(18)21)15-9-5-3-7-13(15)16/h2-9,16H,10H2,1H3,(H2,18,21)/t16-/m0/s1


name: 6a,9-difluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 17-butyrate
cas: 23640-96-2
chebiid: CHEBI:168977
dtxsid: DTXSID00178314
formula: C25H32F2O6
inchikey: BQEJAAIPKDQEPV-MXHGPKCJSA-N
norman_susdat_id: NS00050731
pubchem_cid: 12986413
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CCC(OC(=O)CCC)(C(=O)CO)C4(C)CC(O)C32F)C
inchi:
InChI=1/C25H32F2O6/c1-4-5-21(32)33-24(20(31)13-28)9-7-15-16-11-18(26)17-10-14(29)6-8-22(17,2)25(16,27)19(30)12-23(15,24)3/h6,8,10,15-16,18-19,28,30H,4-5,7,9,11-13H2,1-3H3


name: 6a,9-difluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)
cas: 23641-05-6
dtxsid: DTXSID10946460
formula: C25H30F2O7
inchikey: RWKMFNKALGKSFN-QWYWQECLSA-N
norman_susdat_id: NS00051203
pubchem_cid: 21116678
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CCC(OC(=O)C)(C(=O)COC(=O)C)C4(C)CC(O)C32F)C
inchi:
InChI=1/C25H30F2O7/c1-13(28)33-12-21(32)24(34-14(2)29)8-6-16-17-10-19(26)18-9-15(30)5-7-22(18,3)25(17,27)20(31)11-23(16,24)4/h5,7,9,16-17,19-20,31H,6,8,10-12H2,1-4H3


name: 2-[[1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl benzoate hydrochloride
cas: 23642-66-2
formula: C19H20F3NO2.ClH
inchikey: NLOALSPYZIIXEO-UHFFFAOYSA-N
norman_susdat_id: NS00084607
smiles: Cl.CC(Cc1cccc(c1)C(F)(F)F)NCCOC(=O)c2ccccc2
inchi:
InChI=1/C19H20F3NO2.ClH/c1-14(12-15-6-5-9-17(13-15)19(20,21)22)23-10-11-25-18(24)16-7-3-2-4-8-16;/h2-9,13-14,23H,10-12H2,1H3;1H


name: Deglucocyclamin
cas: 23643-61-0
chemspiderid: 44566607
formula: C52H84O22
inchikey: JXTOWLUQSHIIDP-TYIURIOSSA-N
norman_susdat_id: NS00093702
pubchem_cid: 23339336
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[C@H]9[C@@H]([C@H]([C@H](CO9)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C=O


name: Cyclamin
cas: 23643-76-7
chebiid: CHEBI:3987
chemspiderid: 441916
formula: C58H94O27
inchikey: JPEQATLMKATGAQ-JOONIPAFSA-N
norman_susdat_id: NS00093701
pubchem_cid: 390491
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[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)C)C=O


name: Trisodium 4,5-dihydroxy-3-(4-sulphonatophenylazo)naphthalene-2,7-disulphonate
cas: 23647-14-5
dtxsid: DTXSID3066920
formula: C16H12N2O11S3
inchikey: AEHGQXKBQBMQEK-UHFFFAOYSA-K
norman_susdat_id: NS00051522
pubchem_cid: 90222
inchi:
InChI=1/C16H12N2O11S3.3Na/c19-12-7-11(31(24,25)26)5-8-6-13(32(27,28)29)15(16(20)14(8)12)18-17-9-1-3-10(4-2-9)30(21,22)23;;;/h1-7,19-20H,(H,21,22,23)(H,24,25,26)(H,27,28,29);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC=2C(O)=C3C(O)=CC(=CC3=CC2S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1


name: N,N'-Bis(salicyl)hydrazine
cas: 23647-78-1
chemspiderid: 58791
dtxsid: DTXSID80178317
formula: C14H12N2O4
inchikey: UORSDGBOJHYJLV-UHFFFAOYSA-N
norman_susdat_id: NS00027466
pubchem_cid: 65303
smiles: Oc1ccccc1C(=O)NNC(=O)c1c(O)cccc1
inchi:
InChI=1S/C14H12N2O4/c17-11-7-3-1-5-9(11)13(19)15-16-14(20)10-6-2-4-8-12(10)18/h1-8,17-18H,(H,15,19)(H,16,20)


name: Tributylthiocyanatostannane
cas: 23654-14-0
dtxsid: DTXSID60178330
formula: C13H27NSSn
inchikey: UNZLNUJIVSVHRQ-UHFFFAOYSA-M
norman_susdat_id: NS00050748
pubchem_cid: NA
smiles: N#CS[Sn](CCCC)(CCCC)CCCC
inchi:
InChI=1/3C4H9.CHNS.Sn/c3*1-3-4-2;2-1-3;/h3*1,3-4H2,2H3;3H;/q;;;;+1/p-1/rC13H27NSSn/c1-4-7-10-16(15-13-14,11-8-5-2)12-9-6-3/h4-12H2,1-3H3


name: 4,4-[(3,20-dioxopregn-4-ene-14,17-diyl)dioxy]butyric acid
cas: 23655-69-8
dtxsid: DTXSID20946471
formula: C25H34O6
inchikey: VZLXYXZEJOLKSG-PQIHNAKHSA-N
norman_susdat_id: NS00050718
pubchem_cid: NA
smiles: O=C(O)CCC1OOC23CCC1(C(=O)C)C3(C)CCC4C2CCC5=CC(=O)CCC54C
inchi:
InChI=1/C25H34O6/c1-15(26)24-12-13-25(31-30-20(24)6-7-21(28)29)19-5-4-16-14-17(27)8-10-22(16,2)18(19)9-11-23(24,25)3/h14,18-20H,4-13H2,1-3H3,(H,28,29)


name: 2-ethoxy-4'-methoxy-2-(p-methoxyphenyl)acetophenone
cas: 23659-80-5
dtxsid: DTXSID60885239
formula: C18H20O4
inchikey: XGDJUIWMIKCXJN-UHFFFAOYSA-N
norman_susdat_id: NS00051558
pubchem_cid: 90964
smiles: O=C(C1=CC=C(OC)C=C1)C(OCC)C2=CC=C(OC)C=C2
inchi:
InChI=1/C18H20O4/c1-4-22-18(14-7-11-16(21-3)12-8-14)17(19)13-5-9-15(20-2)10-6-13/h5-12,18H,4H2,1-3H3


name: Vicenin 2
cas: 23666-13-9
formula: C27H30O15
inchikey: FIAAVMJLAGNUKW-UHFFFAOYSA-N
norman_susdat_id: NS00097670
smiles: C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C(=C3O)C4C(C(C(C(O4)CO)O)O)O)O)C5C(C(C(C(O5)CO)O)O)O)O
inchi:
InChI=1S/C27H30O15/c28-6-12-17(32)21(36)23(38)26(41-12)15-19(34)14-10(31)5-11(8-1-3-9(30)4-2-8)40-25(14)16(20(15)35)27-24(39)22(37)18(33)13(7-29)42-27/h1-5,12-13,17-18,21-24,26-30,32-39H,6-7H2


name: 5'-O-[bis(4-methoxyphenyl)benzyl]-2'-deoxyuridine
cas: 23669-79-6
dtxsid: DTXSID90946483
formula: C30H30N2O7
inchikey: BYGKUWPLEGHFKX-UHFFFAOYSA-N
norman_susdat_id: NS00050291
pubchem_cid: 4546071
smiles: O=C1C=CN(C(=O)N1)C2OC(COC(C=3C=CC=CC3)(C4=CC=C(OC)C=C4)C5=CC=C(OC)C=C5)C(O)C2
inchi:
InChI=1/C30H30N2O7/c1-36-23-12-8-21(9-13-23)30(20-6-4-3-5-7-20,22-10-14-24(37-2)15-11-22)38-19-26-25(33)18-28(39-26)32-17-16-27(34)31-29(32)35/h3-17,25-26,28,33H,18-19H2,1-2H3,(H,31,34,35)


name: Levosulpiride
cas: 23672-07-3
chebiid: CHEBI:64119
dtxsid: DTXSID0042583
formula: C15H23N3O4S
inchikey: BGRJTUBHPOOWDU-NSHDSACASA-N
norman_susdat_id: NS00076154
smiles: CCN1CCC[C@H]1CNC(=O)C1=C(OC)C=CC(=C1)S(N)(=O)=O
inchi:
InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1


name: Difluprednate
cas: 23674-86-4
chebiid: CHEBI:31485
dtxsid: DTXSID0046773
formula: C27H34F2O7
inchikey: WYQPLTPSGFELIB-JTQPXKBDSA-N
norman_susdat_id: NS00050777
pubchem_cid: 443936
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CCC(OC(=O)CCC)(C(=O)COC(=O)C)C4(C)CC(O)C32F)C
inchi:
InChI=1/C27H34F2O7/c1-5-6-23(34)36-26(22(33)14-35-15(2)30)10-8-17-18-12-20(28)19-11-16(31)7-9-24(19,3)27(18,29)21(32)13-25(17,26)4/h7,9,11,17-18,20-21,32H,5-6,8,10,12-14H2,1-4H3


name: N-[(1,1-dimethylethoxy)carbonyl]-O-(phenylmethyl)-L-serine
cas: 23680-31-1
dtxsid: DTXSID70885240
formula: C15H21NO5
inchikey: DMBKPDOAQVGTST-LBPRGKRZSA-N
norman_susdat_id: NS00050778
pubchem_cid: 90234
smiles: O=C(OC(C)(C)C)NC(C(=O)O)COCC=1C=CC=CC1
inchi:
InChI=1/C15H21NO5/c1-15(2,3)21-14(19)16-12(13(17)18)10-20-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)


name: Benzenemethanol, 4-(phenylamino)-.alpha.,.alpha.-bis[4-(phenylamino)phenyl]-
cas: 23681-60-9
chemspiderid: 81462
dtxsid: DTXSID8027828
formula: C37H31N3O1
inchikey: QIVYWOAVUUJDEC-UHFFFAOYSA-N
norman_susdat_id: NS00027471
pubchem_cid: 90236
smiles: OC(c1ccc(Nc2ccccc2)cc1)(c1ccc(Nc2ccccc2)cc1)c1ccc(Nc2ccccc2)cc1
inchi:
InChI=1S/C37H31N3O/c41-37(28-16-22-34(23-17-28)38-31-10-4-1-5-11-31,29-18-24-35(25-19-29)39-32-12-6-2-7-13-32)30-20-26-36(27-21-30)40-33-14-8-3-9-15-33/h1-27,38-41H


name: 5-(aminosulphonyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxybenzamide monohydrochloride
cas: 23694-14-6
formula: C15H23N3O4S.ClH
inchikey: PFHZICSPLHQCDZ-UHFFFAOYSA-N
norman_susdat_id: NS00084880
smiles: Cl.CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)N
inchi:
InChI=1/C15H23N3O4S.ClH/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2;/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21);1H


name: N-[(1-ethylpyrrolidin-2-yl)methyl]-5-(ethylthio)-2-methoxybenzamide phosphate
cas: 23694-15-7
dtxsid: DTXSID40946498
formula: C17H26N2O2S
inchikey: TVUDHJIMDCAZEW-UHFFFAOYSA-N
norman_susdat_id: NS00050779
pubchem_cid: 3015164
smiles: O=C(NCC1N(CC)CCC1)C2=CC(SCC)=CC=C2OC.O=P(O)(O)O
inchi:
InChI=1/C17H26N2O2S.H3O4P/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(22-5-2)8-9-16(15)21-3;1-5(2,3)4/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20);(H3,1,2,3,4)


name: N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-(ethylsulphonyl)-2-methoxybenzamide monohydrochloride
cas: 23694-17-9
formula: C17H26N2O4S.ClH
inchikey: IGOWMQPOGQYFFM-UHFFFAOYSA-N
norman_susdat_id: NS00084071
smiles: Cl.CCN1CCCC1CNC(=O)c2cc(ccc2OC)S(=O)(=O)CC
inchi:
InChI=1/C17H26N2O4S.ClH/c1-4-19-10-6-7-13(19)12-18-17(20)15-11-14(24(21,22)5-2)8-9-16(15)23-3;/h8-9,11,13H,4-7,10,12H2,1-3H3,(H,18,20);1H


name: 1-[(2-Methyl-1H-indol-4-yl)oxy]-3-[(propan-2-yl)amino]propan-2-ol
cas: 23694-81-7
chebiid: CHEBI:135082
chemspiderid: NA
dtxsid: DTXSID40865110
formula: C15H22N2O2
inchikey: NXWGWUVGUSFQJC-UHFFFAOYSA-N
norman_susdat_id: NS00040876
pubchem_cid: 71698
smiles: CC(C)NCC(O)COc1cccc2[nH]c(C)cc12
inchi:
InChI=1S/C15H22N2O2/c1-10(2)16-8-12(18)9-19-15-6-4-5-14-13(15)7-11(3)17-14/h4-7,10,12,16-18H,8-9H2,1-3H3


name: Olaquindox
cas: 23696-28-8
chemspiderid: 64916
dtxsid: DTXSID3040726
formula: C12H13N3O4
inchikey: TURHTASYUMWZCC-UHFFFAOYSA-N
norman_susdat_id: NS00001828
pubchem_cid: 71905
smiles: Cc1c(C(=O)NCCO)[n+]([O-])c2ccccc2[n+]1[O-]
inchi:
InChI=1S/C12H13N3O4/c1-8-11(12(17)13-6-7-16)15(19)10-5-3-2-4-9(10)14(8)18/h2-5,16H,6-7H2,1H3,(H,13,17)


name: 2,6-di-tert-butyl-a-(3,5-di-tert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)-p-tolyloxy
cas: 2370-18-5
formula: C29H42O2
inchikey: HRLDHROCDBYHAU-UHFFFAOYSA-N
norman_susdat_id: NS00049389
pubchem_cid: 96613
smiles: O=C1C(=CC(=CC=2C=C(C(O)=C(C2)C(C)(C)C)C(C)(C)C)C=C1C(C)(C)C)C(C)(C)C
inchi:
InChI=1/C29H42O2/c1-26(2,3)20-14-18(15-21(24(20)30)27(4,5)6)13-19-16-22(28(7,8)9)25(31)23(17-19)29(10,11)12/h13-17,30H,1-12H3


name: 17-Hydroxy-3,6,9,12,15-pentaoxaheptadec-1-yl dodecanoate
cas: 2370-64-1
chemspiderid: 67936
dtxsid: DTXSID10178365
formula: C24H48O8
inchikey: IDTQVQPVUYLMJJ-UHFFFAOYSA-N
norman_susdat_id: NS00013957
pubchem_cid: 75403
smiles: CCCCCCCCCCCC(=O)OCCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C24H48O8/c1-2-3-4-5-6-7-8-9-10-11-24(26)32-23-22-31-21-20-30-19-18-29-17-16-28-15-14-27-13-12-25/h25H,2-23H2,1H3


name: N-(2-Amino-4-carboxy-1-hydroxybutylidene)tryptophan
cas: 237068-57-4
chebiid: CHEBI:73512
dtxsid: DTXSID10924324
formula: C16H19N3O5
inchikey: LLEUXCDZPQOJMY-AAEUAGOBSA-N
norman_susdat_id: NS00068679
pubchem_cid: 100094
smiles: N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O
inchi:
InChI=1S/C16H19N3O5/c17-11(5-6-14(20)21)15(22)19-13(16(23)24)7-9-8-18-12-4-2-1-3-10(9)12/h1-4,8,11,13,18H,5-7,17H2,(H,19,22)(H,20,21)(H,23,24)/t11-,13-/m0/s1


name: Mevinolinic Acid
cas: 237073-64-2
chebiid: CHEBI:82985
dtxsid: DTXSID20873334
formula: C24H38O6
inchikey: QLJODMDSTUBWDW-BXMDZJJMSA-N
norman_susdat_id: NS00069831
pubchem_cid: 64727
smiles: CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O)[C@H]21
inchi:
InChI=1S/C24H38O6/c1-5-15(3)24(29)30-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-18(25)12-19(26)13-22(27)28/h6-7,10,14-16,18-21,23,25-26H,5,8-9,11-13H2,1-4H3,(H,27,28)/t14-,15-,16-,18+,19+,20-,21-,23-/m0/s1


cas: 23725-15-7
formula: C42H22N2O24S6
inchikey: XABCJASGDSNUFB-UHFFFAOYSA-H
norman_susdat_id: NS00051560
pubchem_cid: NA
name:
Hexasodium naphth[2',3':6,7]indolo[2,3-c]dinaphtho[2,3-a:2',3'-i]carbazole-5,10,15,17,22,24-hexyl hexasulphate

inchi:
InChI=1/C42H22N2O24S6.6Na/c45-69(46,47)63-20-11-9-17-15-26-18(13-19(17)14-20)10-12-25-29-32-31-28(64-70(48,49)50)16-27-30(40(66-72(54,55)56)22-6-2-1-5-21(22)39(27)65-71(51,52)53)37(31)44-38(32)34-33(36(29)43-35(25)26)41(67-73(57,58)59)23-7-3-4-8-24(23)42(34)68-74(60,61)62;;;;;;/h1-16H,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;;;/q;6*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])OC=1C=CC2=CC=3C(=CC=C4C3N=C5C=6C(OS(=O)(=O)[O-])=C7C=CC=CC7=C(OS(=O)(=O)[O-])C6C8=NC9=C(C(OS(=O)(=O)[O-])=CC=%10C(OS(=O)(=O)[O-])=C%11C=CC=CC%11=C(OS(=O)(=O)[O-])C9%10)C8=C54)C=C2C1


name: Disodium 4,4'-bis[[4,6-bis(p-chloroanilino)-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate
cas: 23729-34-2
formula: C44H32Cl4N12O6S2
inchikey: CSXOJWAXPIZZPA-SEPHDYHBSA-L
norman_susdat_id: NS00050789
pubchem_cid: NA
inchi:
InChI=1/C44H32Cl4N12O6S2.2Na/c45-27-5-15-31(16-6-27)49-39-55-40(50-32-17-7-28(46)8-18-32)58-43(57-39)53-35-13-3-25(37(23-35)67(61,62)63)1-2-26-4-14-36(24-38(26)68(64,65)66)54-44-59-41(51-33-19-9-29(47)10-20-33)56-42(60-44)52-34-21-11-30(48)12-22-34;;/h1-24H,(H,61,62,63)(H,64,65,66)(H3,49,50,53,55,57,58)(H3,51,52,54,56,59,60);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(=CC=C1C=CC2=CC=C(C=C2S(=O)(=O)[O-])NC=3N=C(N=C(N3)NC4=CC=C(Cl)C=C4)NC5=CC=C(Cl)C=C5)NC=6N=C(N=C(N6)NC7=CC=C(Cl)C=C7)NC8=CC=C(Cl)C=C8


name: 1,4-Bis(octyloxy)-1,4-dioxo-2-butanesulfonic acid
cas: 2373-23-1
inchikey: OXLXSOPFNVKUMU-UHFFFAOYSA-N
norman_susdat_id: NS00073872
smiles: CCCCCCCCOC(=O)CC(C(=O)OCCCCCCCC)S(=O)(=O)O
inchi:
InChI=1S/C20H38O7S/c1-3-5-7-9-11-13-15-26-19(21)17-18(28(23,24)25)20(22)27-16-14-12-10-8-6-4-2/h18H,3-17H2,1-2H3,(H,23,24,25)


name: N6-(1-oxooctyl)-L-lysine
cas: 23735-96-8
chebiid: CHEBI:172138
chemspiderid: 35032089
formula: C14H28N2O3
inchikey: DUZODDYGMSCYMJ-UHFFFAOYSA-N
norman_susdat_id: NS00006136
pubchem_cid: 13783498
smiles: CCCCCCCC(=O)NCCCCC(N)C(O)=O
inchi:
InChI=1S/C14H28N2O3/c1-2-3-4-5-6-10-13(17)16-11-8-7-9-12(15)14(18)19/h12H,2-11,15H2,1H3,(H,16,17)(H,18,19)


name: 2-[(4-chloro-2-nitrophenyl)azo]-N-(4-methoxyphenyl)-3-oxobutyramide
cas: 23739-66-4
dtxsid: DTXSID50885243
formula: C17H16ClN4O5
inchikey: OFVGYSFBEXROII-UHFFFAOYSA-N
norman_susdat_id: NS00050790
pubchem_cid: NA
smiles: O=C(NC1=CC=C(OC)C=C1)C(N=NC2=CC=C(Cl)C=C2[N+](=O)[O-])C(=O)C
inchi:
InChI=1/C17H15ClN4O5/c1-10(23)16(17(24)19-12-4-6-13(27-2)7-5-12)21-20-14-8-3-11(18)9-15(14)22(25)26/h3-9,16H,1-2H3,(H,19,24)


name: 2,4,6-trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)cyclotrisiloxane
cas: 2374-14-3
dtxsid: DTXSID7051892
formula: C12H21F9O3Si3
inchikey: URZHQOCYXDNFGN-UHFFFAOYSA-N
norman_susdat_id: NS00050113
pubchem_cid: 75410
smiles: FC(F)(F)CC[Si]1(O[Si](O[Si](O1)(C)CCC(F)(F)F)(C)CCC(F)(F)F)C
inchi:
InChI=1/C12H21F9O3Si3/c1-25(7-4-10(13,14)15)22-26(2,8-5-11(16,17)18)24-27(3,23-25)9-6-12(19,20)21/h4-9H2,1-3H3


name: Disodium 4,4'-bis(4-phenyl-2H-1,2,3-triazol-2-yl)stilbene-2,2'-disulphonate
cas: 23743-28-4
dtxsid: DTXSID10889686
formula: C30H22N6O6S2
inchikey: TVMXXLUFDNBORP-YHPRVSEPSA-L
norman_susdat_id: NS00050305
pubchem_cid: 148568
inchi:
InChI=1/C30H22N6O6S2.2Na/c37-43(38,39)29-17-25(35-31-19-27(33-35)21-7-3-1-4-8-21)15-13-23(29)11-12-24-14-16-26(18-30(24)44(40,41)42)36-32-20-28(34-36)22-9-5-2-6-10-22;;/h1-20H,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(=CC=C1C=CC2=CC=C(C=C2S(=O)(=O)[O-])N3N=CC(=N3)C4=CC=CC=C4)N5N=CC(=N5)C6=CC=CC=C6


name: Dimethyl 2,2'-(naphthalene-1,4-diyl)bis(benzoxazole-5-carboxylate)
cas: 23743-30-8
dtxsid: DTXSID8066927
formula: C28H18N2O6
inchikey: GHSQUTFRTKIVBU-UHFFFAOYSA-N
norman_susdat_id: NS00051574
pubchem_cid: 90244
smiles: O=C(OC)C1=CC=C2OC(=NC2=C1)C3=CC=C(C4=NC5=CC(=CC=C5O4)C(=O)OC)C=6C=CC=CC36
inchi:
InChI=1/C28H18N2O6/c1-33-27(31)15-7-11-23-21(13-15)29-25(35-23)19-9-10-20(18-6-4-3-5-17(18)19)26-30-22-14-16(28(32)34-2)8-12-24(22)36-26/h3-14H,1-2H3


name: Alsterpaullone
cas: 237430-03-4
chebiid: CHEBI:138488
dtxsid: DTXSID50407444
formula: C16H11N3O3
inchikey: OLUKILHGKRVDCT-UHFFFAOYSA-N
norman_susdat_id: NS00068170
pubchem_cid: 5005498
smiles: O=C1Cc2c([nH]c3ccc([N+](=O)[O-])cc23)-c2ccccc2N1
inchi:
InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)


name: pipoxolan
cas: 23744-24-3
chebiid: CHEBI:135483
chemspiderid: 26912
formula: C22H25N1O3
inchikey: DXSUDONPFZKWOO-UHFFFAOYSA-N
norman_susdat_id: NS00008114
pubchem_cid: 28932
smiles: O=C1OC(CCN2CCCCC2)OC1(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C22H25NO3/c24-21-22(18-10-4-1-5-11-18,19-12-6-2-7-13-19)26-20(25-21)14-17-23-15-8-3-9-16-23/h1-2,4-7,10-13,20H,3,8-9,14-17H2


name: 1-(1H-Benzimidazol-2-yl)-7,7,8,8,9,9,10,10,11,11,12,12,12-tridecafluorododecan-6-one
cas: 237738-71-5
dtxsid: DTXSID90896156
formula: C19H15F13N2O
inchikey: MITMTPJIARYTDP-UHFFFAOYSA-N
norman_susdat_id: NS00112145
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)CCCCCc1Nc2ccccc2n1
inchi:
InChI=1S/C19H15F13N2O/c20-14(21,15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32)12(35)8-2-1-3-9-13-33-10-6-4-5-7-11(10)34-13/h4-7H,1-3,8-9H2,(H,33,34)


name: Sodium o-(bis(3,5-dibromo-4-hydroxy-o-tolyl)hydroxymethyl)benzenesulphonate
cas: 23778-59-8
chemspiderid: 81482
dtxsid: DTXSID90178464
formula: C21H16Br4O6S1
inchikey: ROLZRPVMBQFMKB-UHFFFAOYSA-N
norman_susdat_id: NS00005367
pubchem_cid: 90257
smiles: Cc1c(Br)c(O)c(Br)cc1C(O)(c1cc(Br)c(O)c(Br)c1C)c1ccccc1S(O)(=O)=O
inchi:
InChI=1S/C21H16Br4O6S/c1-9-12(7-14(22)19(26)17(9)24)21(28,11-5-3-4-6-16(11)32(29,30)31)13-8-15(23)20(27)18(25)10(13)2/h3-8,26-28H,1-2H3,(H,29,30,31)


name: Floctafenine
cas: 23779-99-9
chebiid: CHEBI:31612
chemspiderid: 3243
dtxsid: DTXSID8057695
formula: C20H17F3N2O4
inchikey: APQPGQGAWABJLN-UHFFFAOYSA-N
norman_susdat_id: NS00006030
pubchem_cid: 3360
smiles: OCC(O)COC(=O)c1ccccc1Nc1ccnc2c(cccc12)C(F)(F)F
inchi:
InChI=1S/C20H17F3N2O4/c21-20(22,23)15-6-3-5-13-17(8-9-24-18(13)15)25-16-7-2-1-4-14(16)19(28)29-11-12(27)10-26/h1-9,12,26-27H,10-11H2,(H,24,25)


name: (4-methylbenzyl)triphenylphosphonium bromide
cas: 2378-86-1
dtxsid: DTXSID80946578
formula: C26H24P
inchikey: CEEKCHGNKYVTTM-UHFFFAOYSA-M
norman_susdat_id: NS00049430
pubchem_cid: 11797662
smiles: [Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CC4=CC=C(C=C4)C
inchi:
InChI=1/C26H24P.BrH/c1-22-17-19-23(20-18-22)21-27(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: L-Glutamic acid, N-[4-(methylamino)benzoyl]-, 1,5-diethyl ester
cas: 2378-95-2
chemspiderid: 241826
dtxsid: DTXSID20883832
formula: C17H24N2O5
inchikey: WBYNXAAEBPJETG-UHFFFAOYSA-N
norman_susdat_id: NS00002220
pubchem_cid: 274863
smiles: CCOC(=O)CCC(NC(=O)c1ccc(NC)cc1)C(=O)OCC
inchi:
InChI=1S/C17H24N2O5/c1-4-23-15(20)11-10-14(17(22)24-5-2)19-16(21)12-6-8-13(18-3)9-7-12/h6-9,14,18H,4-5,10-11H2,1-3H3,(H,19,21)


name: D-Fructose, 1,6-bis(dihydrogen phosphate), tetrasodium salt
cas: 23784-19-2
formula: C6H14O12P2.4Na
inchikey: VSXKSSGRLOGHFH-UHFFFAOYSA-J
norman_susdat_id: NS00084104
smiles: OC1C(O)C(O)(COP(=O)(O[Na])O[Na])OC1COP(=O)(O[Na])O[Na]
inchi:
InChI=1/C6H14O12P2.4Na/c7-4-3(1-16-19(10,11)12)18-6(9,5(4)8)2-17-20(13,14)15;;;;/h3-5,7-9H,1-2H2,(H2,10,11,12)(H2,13,14,15);;;;/q;4*+1/p-4/rC6H10Na4O12P2/c7-19-23(14,20-8)16-1-3-4(11)5(12)6(13,18-3)2-17-24(15,21-9)22-10/h3-5,11-13H,1-2H2


name: 1-Piperazineethanol, 4-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulfonyl]-
cas: 23786-20-1
chemspiderid: 81492
dtxsid: DTXSID2066931
formula: C21H25Cl1N4O3S1
inchikey: WXKJQQTYGXGVQD-UHFFFAOYSA-N
norman_susdat_id: NS00027484
pubchem_cid: 90267
smiles: OCCN1CCN(CC1)S(=O)(=O)c1ccc(cc1)N1CCC(=N1)c1ccc(Cl)cc1
inchi:
InChI=1S/C21H25ClN4O3S/c22-18-3-1-17(2-4-18)21-9-10-26(23-21)19-5-7-20(8-6-19)30(28,29)25-13-11-24(12-14-25)15-16-27/h1-8,27H,9-16H2


name: D&C Red No. 30
cas: 2379-74-0
chemspiderid: 2121281
dtxsid: DTXSID9058735
formula: C18H10Cl2O2S2
inchikey: NDDLLTAIKYHPOD-UHFFFAOYSA-N
norman_susdat_id: NS00006100
pubchem_cid: 16926
smiles: Cc1cc(Cl)cc2SC(C(=O)c12)=C1Sc2cc(Cl)cc(C)c2C1=O
inchi:
InChI=1S/C18H10Cl2O2S2/c1-7-3-9(19)5-11-13(7)15(21)17(23-11)18-16(22)14-8(2)4-10(20)6-12(14)24-18/h3-6H,1-2H3


cas: 2379-75-1
chemspiderid: 2298638
dtxsid: DTXSID9062356
formula: C20H14Cl2O2S2
inchikey: WNQYKPVIXDBBAO-UHFFFAOYSA-N
norman_susdat_id: NS00020771
pubchem_cid: 75414
smiles: Cc1cc(Cl)c(C)c2c1S/C(=C/1Sc3c(C)cc(Cl)c(C)c3C1=O)/C2=O
name:
Benzo[b]thiophen-3(2H)-one, 5-chloro-2-(5-chloro-4,7-dimethyl-3-oxobenzo[b]thien-2(3H)-ylidene)-4,7-dimethyl-

inchi:
InChI=1S/C20H14Cl2O2S2/c1-7-5-11(21)9(3)13-15(23)19(25-17(7)13)20-16(24)14-10(4)12(22)6-8(2)18(14)26-20/h5-6H,1-4H3/b20-19-


name: 4',4'''-azobis[N-[5-(benzoylamino)-9,10-dihydro-9,10-dioxo-1-anthryl][1,1'-biphenyl]-4-carboxamide]
cas: 2379-76-2
dtxsid: DTXSID80883833
formula: C68H42N6O8
inchikey: WXNSNFJLYJBMBT-UHFFFAOYSA-N
norman_susdat_id: NS00050114
pubchem_cid: NA
inchi:
InChI=1/C68H42N6O8/c75-61-51-17-9-21-55(59(51)63(77)49-15-7-19-53(57(49)61)69-65(79)43-11-3-1-4-12-43)71-67(81)45-27-23-39(24-28-45)41-31-35-47(36-32-41)73-74-48-37-33-42(34-38-48)40-25-29-46(30-26-40)68(82)72-56-22-10-18-52-60(56)64(78)50-16-8-20-54(58(50)62(52)76)70-66(80)44-13-5-2-6-14-44/h1-38H,(H,69,79)(H,70,80)(H,71,81)(H,72,82)

smiles:
O=C(NC1=CC=CC=2C(=O)C=3C(=CC=CC3C(=O)C12)NC(=O)C4=CC=C(C=C4)C5=CC=C(N=NC6=CC=C(C=C6)C7=CC=C(C=C7)C(=O)NC8=CC=CC=9C(=O)C=%10C(=CC=CC%10C(=O)C89)NC(=O)C=%11C=CC=CC%11)C=C5)C=%12C=CC=CC%12


name: C.I. Pigment Red 189
cas: 2379-77-3
chemspiderid: 67947
dtxsid: DTXSID4062357
formula: C36H16Cl2N2O4
inchikey: ILYBWLBYEIZMCE-UHFFFAOYSA-N
norman_susdat_id: NS00020772
pubchem_cid: 75415
smiles: Clc1ccc(cc1)n1c(=O)c2ccc3c4c5c(ccc6c(=O)n(c7ccc(Cl)cc7)c(=O)c(cc4)c56)c4c3c2c(cc4)c1=O
inchi:
InChI=1S/C36H16Cl2N2O4/c37-17-1-5-19(6-2-17)39-33(41)25-13-9-21-23-11-15-27-32-28(36(44)40(35(27)43)20-7-3-18(38)4-8-20)16-12-24(30(23)32)22-10-14-26(34(39)42)31(25)29(21)22/h1-16H


cas: 2379-78-4
chemspiderid: 67948
dtxsid: DTXSID9062358
formula: C42H23N3O6
inchikey: WZSLDJBBPHUGJT-UHFFFAOYSA-N
norman_susdat_id: NS00020773
pubchem_cid: 75416
smiles: O=C(Nc1cccc2c1C(=O)c1c(c3c(cc1)c1ccc4C(=O)c5c(NC(=O)c6ccccc6)cccc5C(=O)c4c1[nH]3)C2=O)c1ccccc1
name:
Benzamide, N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-4,11-diyl)bis-

inchi:
InChI=1S/C42H23N3O6/c46-37-27-19-17-23-24-18-20-28-34(40(49)26-14-8-16-30(32(26)38(28)47)44-42(51)22-11-5-2-6-12-22)36(24)45-35(23)33(27)39(48)25-13-7-15-29(31(25)37)43-41(50)21-9-3-1-4-10-21/h1-20,45H,(H,43,50)(H,44,51)


name: Anthra[2,3-d]oxazole-5,10-dione, 2-(1-amino-9,10-dihydro-9,10-dioxo-2-anthracenyl)-
cas: 2379-79-5
chemspiderid: 67949
dtxsid: DTXSID4062359
formula: C29H14N2O5
inchikey: RHEVAQGXLUQWBM-UHFFFAOYSA-N
norman_susdat_id: NS00020066
pubchem_cid: 75417
smiles: Nc1c(ccc2c1C(=O)c1c(cccc1)C2=O)c1nc2cc3c(cc2o1)C(=O)c1c(cccc1)C3=O
inchi:
InChI=1S/C29H14N2O5/c30-24-18(10-9-17-23(24)28(35)16-8-4-3-7-15(16)25(17)32)29-31-21-11-19-20(12-22(21)36-29)27(34)14-6-2-1-5-13(14)26(19)33/h1-12H,30H2


cas: 2379-81-9
dtxsid: DTXSID70862910
formula: C42H23N3O6
inchikey: OXEFCDNMUKTKDV-UHFFFAOYSA-N
norman_susdat_id: NS00048805
pubchem_cid: NA
name:
N,N'-(10,15,16,17-tetrahydro-5,10,15,17-tetraoxo-5H-dinaphtho[2,3-a:2',3'-i]carbazole-6,9-diyl)bis(benzamide)

inchi:
InChI=1/C42H23N3O6/c46-37-23-15-7-9-17-25(23)39(48)33-31(37)29(43-41(50)21-11-3-1-4-12-21)19-27-28-20-30(44-42(51)22-13-5-2-6-14-22)32-34(36(28)45-35(27)33)40(49)26-18-10-8-16-24(26)38(32)47/h1-20,45H,(H,43,50)(H,44,51)

smiles:
O=C(NC=1C=C2C=3C=C(NC(=O)C=4C=CC=CC4)C=5C(=O)C=6C=CC=CC6C(=O)C5C3NC2=C7C(=O)C=8C=CC=CC8C(=O)C17)C=9C=CC=CC9


name: 1,1'-Methylenebis(naphthalene-2-sulfonic acid) disodium salt
cas: 2379-92-2
chemspiderid: 67950
dtxsid: DTXSID8062361
formula: C21H16O6S2
inchikey: SPDUFLWDSCKGPG-UHFFFAOYSA-L
norman_susdat_id: NS00019961
pubchem_cid: 75418
smiles: [Na+].[Na+].[O-]S(=O)(=O)c1ccc2ccccc2c1Cc1c(ccc2ccccc12)S(=O)(=O)[O-]
inchi:
InChI=1S/C21H16O6S2/c22-28(23,24)20-11-9-14-5-1-3-7-16(14)18(20)13-19-17-8-4-2-6-15(17)10-12-21(19)29(25,26)27/h1-12H,13H2,(H,22,23,24)(H,25,26,27)


name: 2,4,6-Tris(undecafluoropentyl)-1,3,5-triazine
cas: 23790-50-3
dtxsid: DTXSID50896071
formula: C18F33N3
inchikey: MHDMAFIFHRRKPR-UHFFFAOYSA-N
norman_susdat_id: NS00110757
inchi:
InChI=1S/C18F33N3/c19-4(20,7(25,26)10(31,32)13(37,38)16(43,44)45)1-52-2(5(21,22)8(27,28)11(33,34)14(39,40)17(46,47)48)54-3(53-1)6(23,24)9(29,30)12(35,36)15(41,42)18(49,50)51

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nc(nc(n1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


cas: 23807-28-5
chemspiderid: 81495
dtxsid: DTXSID7066934
formula: C20H20Cl1N7O7
inchikey: WECQKZZOBBSHPK-UHFFFAOYSA-N
norman_susdat_id: NS00027489
pubchem_cid: 90270
smiles: COc1c(cc(NC(=O)C)c(c1)N=Nc1c(Cl)cc(cc1[N+](=O)[O-])[N+](=O)[O-])N(CCO)CCC#N
name:
Acetamide, N-[2-[(2-chloro-4,6-dinitrophenyl)azo]-5-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]-

inchi:
InChI=1S/C20H20ClN7O7/c1-12(30)23-15-10-17(26(6-7-29)5-3-4-22)19(35-2)11-16(15)24-25-20-14(21)8-13(27(31)32)9-18(20)28(33)34/h8-11,29H,3,5-7H2,1-2H3,(H,23,30)/b25-24+


name: 3-hydroxy-20-oxo-5-pregnen-17a-yl acetate
cas: 2381-45-5
formula: C23H34O4
inchikey: KRBMZSYRIJAAMS-ZMQCHCKPSA-N
norman_susdat_id: NS00048826
pubchem_cid: 21117707
smiles: O=C(OC1(C(=O)C)CCC2C3CC=C4CC(O)CCC4(C)C3CCC21C)C
inchi:
InChI=1/C23H34O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h5,17-20,26H,6-13H2,1-4H3


name: 5-amino-9-(diethylamino)benzo[a]phenoxazin-7-ium chloride
cas: 2381-85-3
chebiid: CHEBI:52163
dtxsid: DTXSID40883834
formula: C20H20N3O
inchikey: XJCPMUIIBDVFDM-UHFFFAOYSA-M
norman_susdat_id: NS00048827
pubchem_cid: NA
smiles: [Cl-].N=1C=2C=CC(=CC2[O+]=C3C=C(N)C=4C=CC=CC4C13)N(CC)CC
inchi:
InChI=1/C20H20N3O.ClH/c1-3-23(4-2)13-9-10-17-18(11-13)24-19-12-16(21)14-7-5-6-8-15(14)20(19)22-17;/h5-12H,3-4,21H2,1-2H3;1H/q+1;/p-1


name: Diethylammonium (2,4,5-trichlorophenoxy)acetate
cas: 23819-11-6
formula: C8H5Cl3O3.C4H11N
inchikey: CFIABBBIDUBPQY-UHFFFAOYSA-N
norman_susdat_id: NS00084423
smiles: CC[NH2+]CC.[O-]C(=O)COc1cc(Cl)c(Cl)cc1Cl
inchi:
InChI=1/C8H5Cl3O3.C4H11N/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13;1-3-5-4-2/h1-2H,3H2,(H,12,13);5H,3-4H2,1-2H3


name: Cytidylyl-(3'<U+2192>5')-uridine
cas: 2382-64-1
formula: C18H24N5O13P
inchikey: VSIFECIDUDPNRC-UHFFFAOYSA-N
norman_susdat_id: NS00049448
pubchem_cid: 273123
smiles: O=C1N=C(N)C=CN1C2OC(CO)C(OP(=O)(O)OCC3OC(N4C=CC(=O)NC4=O)C(O)C3O)C2O
inchi:
InChI=1/C18H24N5O13P/c19-9-1-3-22(17(29)20-9)16-13(28)14(7(5-24)34-16)36-37(31,32)33-6-8-11(26)12(27)15(35-8)23-4-2-10(25)21-18(23)30/h1-4,7-8,11-16,24,26-28H,5-6H2,(H,31,32)(H2,19,20,29)(H,21,25,30)


name: Cytidylyl-(3',5')-guanosine
cas: 2382-65-2
formula: C19H25N8O12P
inchikey: CTMZLDSMFCVUNX-UHFFFAOYSA-N
norman_susdat_id: NS00050116
pubchem_cid: NA
smiles: O=C1N=C(N)C=CN1C2OC(CO)C(OP(=O)(O)OCC3OC(N4C=NC=5C(=O)NC(=NC54)N)C(O)C3O)C2O
inchi:
InChI=1/C19H25N8O12P/c20-8-1-2-26(19(33)23-8)17-12(31)13(6(3-28)37-17)39-40(34,35)36-4-7-10(29)11(30)16(38-7)27-5-22-9-14(27)24-18(21)25-15(9)32/h1-2,5-7,10-13,16-17,28-31H,3-4H2,(H,34,35)(H2,20,23,33)(H3,21,24,25,32)


name: Cytidylyl(3'<U+2192>5')adenosine
cas: 2382-66-3
formula: C19H25N8O11P
inchikey: ZLVJWOGZEAIPAO-UHFFFAOYSA-N
norman_susdat_id: NS00050117
pubchem_cid: 260395
smiles: O=C1N=C(N)C=CN1C2OC(CO)C(OP(=O)(O)OCC3OC(N4C=NC=5C(=NC=NC54)N)C(O)C3O)C2O
inchi:
InChI=1/C19H25N8O11P/c20-9-1-2-26(19(32)25-9)18-13(31)14(7(3-28)36-18)38-39(33,34)35-4-8-11(29)12(30)17(37-8)27-6-24-10-15(21)22-5-23-16(10)27/h1-2,5-8,11-14,17-18,28-31H,3-4H2,(H,33,34)(H2,20,25,32)(H2,21,22,23)


name: N-acetyl-L-tryptophanamide
cas: 2382-79-8
dtxsid: DTXSID60946617
formula: C13H15N3O2
inchikey: KVVNHTMDRVYYII-NSHDSACASA-N
norman_susdat_id: NS00049449
pubchem_cid: 23615524
smiles: CC(=O)NC(=O)[C@@H](N)Cc2cnc1ccccc12
inchi:
InChI=1/C13H15N3O2/c1-8(17)16-13(18)11(14)6-9-7-15-12-5-3-2-4-10(9)12/h2-5,7,11,15H,6,14H2,1H3,(H,16,17,18)


name: Ethyl N-acetyl-L-tryptophanate
cas: 2382-80-1
dtxsid: DTXSID20946618
formula: C15H18N2O3
inchikey: KQGQONPKSKUHHT-AWEZNQCLSA-N
norman_susdat_id: NS00050133
pubchem_cid: 2724382
smiles: O=C(OCC)C(NC(=O)C)CC1=CNC=2C=CC=CC21
inchi:
InChI=1/C15H18N2O3/c1-3-20-15(19)14(17-10(2)18)8-11-9-16-13-7-5-4-6-12(11)13/h4-7,9,14,16H,3,8H2,1-2H3,(H,17,18)


name: trans-4-[[(2-amino-3,5-dibromophenyl)methyl]amino]cyclohexan-1-ol hydrochloride
cas: 23828-92-4
formula: C13H18Br2N2O.ClH
inchikey: QNVKOSLOVOTXKF-PFWPSKEQSA-N
norman_susdat_id: NS00084420
smiles: Cl.Nc1c(Br)cc(Br)cc1CN[C@@H]2CC[C@@H](O)CC2
inchi:
InChI=1/C13H18Br2N2O.ClH/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;1H


name: Cholest-5-en-3ß-yl p-nitrobenzoate
cas: 23838-12-2
dtxsid: DTXSID70946643
formula: C34H50NO4
inchikey: MCSXGHLTXBACQB-AESKLMAPSA-N
norman_susdat_id: NS00050360
pubchem_cid: 13725437
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)C5=CC=C(C=C5)[N+](=O)[O-]
inchi:
InChI=1/C34H49NO4/c1-22(2)7-6-8-23(3)29-15-16-30-28-14-11-25-21-27(17-19-33(25,4)31(28)18-20-34(29,30)5)39-32(36)24-9-12-26(13-10-24)35(37)38/h9-13,22-23,27-31H,6-8,14-21H2,1-5H3


name: 5,12-diethyl-5,12-dihydroquinoxalino[2,3-b]phenazine
cas: 23838-74-6
dtxsid: DTXSID2066935
formula: C22H20N4
inchikey: DMZLKMCVHCHAHT-UHFFFAOYSA-N
norman_susdat_id: NS00050844
pubchem_cid: 90276
smiles: N=1C=2C=CC=CC2N(C3=CC4=NC=5C=CC=CC5N(C4=CC13)CC)CC
inchi:
InChI=1/C22H20N4/c1-3-25-19-11-7-5-9-15(19)23-17-14-22-18(13-21(17)25)24-16-10-6-8-12-20(16)26(22)4-2/h5-14H,3-4H2,1-2H3


name: Perfluoro-3,5,5-trimethylhexanoic acid
cas: 238403-51-5
chemspiderid: 2056713
dtxsid: DTXSID10380042
formula: C9H1F17O2
inchikey: HVTQXQHCPONZQV-UHFFFAOYSA-N
norman_susdat_id: NS00018865
pubchem_cid: 2776395
smiles: OC(=O)C(F)(F)C(F)(C(F)(F)F)C(F)(F)C(C(F)(F)F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C9HF17O2/c10-2(11,1(27)28)4(12,9(24,25)26)5(13,14)3(6(15,16)17,7(18,19)20)8(21,22)23/h(H,27,28)


cas: 238420-80-9
dtxsid: DTXSID40883071
norman_susdat_id: NS00110326
name:
Propanedioic acid, mono(.gamma.-.omega.-perfluoro-C8-12-alkyl) derivs., bis[4-(ethenyloxy)butyl] esters


name: Methyl hydrogen 4-[(3-aminophenyl)hydroxymethyl]phthalate
cas: 23843-86-9
dtxsid: DTXSID30885246
formula: C16H15NO5
inchikey: SZMFFXCNDCWPND-UHFFFAOYSA-N
norman_susdat_id: NS00050845
pubchem_cid: 90987
smiles: O=C(O)C1=CC(=CC=C1C(=O)OC)C(O)C=2C=CC=C(N)C2
inchi:
InChI=1/C16H15NO5/c1-22-16(21)12-6-5-10(8-13(12)15(19)20)14(18)9-3-2-4-11(17)7-9/h2-8,14,18H,17H2,1H3,(H,19,20)


name: Furethidine
cas: 2385-81-1
formula: C21H31NO4
inchikey: NNCOZXNZFLUYGG-UHFFFAOYSA-N
norman_susdat_id: NS00049450
pubchem_cid: 61306
smiles: O=C(OCC)C1(C=2C=CC=CC2)CCN(CCOCC3OCCC3)CC1
inchi:
InChI=1/C21H31NO4/c1-2-25-20(23)21(18-7-4-3-5-8-18)10-12-22(13-11-21)14-16-24-17-19-9-6-15-26-19/h3-5,7-8,19H,2,6,9-17H2,1H3


name: Butyltris[(2-ethyl-1-oxohexyl)oxy]stannane
cas: 23850-94-4
dtxsid: DTXSID2051893
formula: C28H54O6Sn
inchikey: GVKORIDPEBYOFR-UHFFFAOYSA-K
norman_susdat_id: NS00050896
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)C(CC)CCCC)(OC(=O)C(CC)CCCC)CCCC)C(CC)CCCC
inchi:
InChI=1/3C8H16O2.C4H9.Sn/c3*1-3-5-6-7(4-2)8(9)10;1-3-4-2;/h3*7H,3-6H2,1-2H3,(H,9,10);1,3-4H2,2H3;/q;;;;+3/p-3/rC28H54O6Sn/c1-8-15-19-23(12-5)26(29)32-35(22-18-11-4,33-27(30)24(13-6)20-16-9-2)34-28(31)25(14-7)21-17-10-3/h23-25H,8-22H2,1-7H3


name: Ethyl 4-hydroxy-8-(trifluoromethyl)quinoline-3-carboxylate
cas: 23851-84-5
dtxsid: DTXSID80946654
formula: C13H10F3NO3
inchikey: XSNJFNKOHAUNPO-UHFFFAOYSA-N
norman_susdat_id: NS00050897
pubchem_cid: 266337
smiles: O=C(OCC)C1=CN=C2C(C=CC=C2C(F)(F)F)=C1O
inchi:
InChI=1/C13H10F3NO3/c1-2-20-12(19)8-6-17-10-7(11(8)18)4-3-5-9(10)13(14,15)16/h3-6H,2H2,1H3,(H,17,18)


name: 9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium perchlorate
cas: 23857-51-4
formula: C28H31N2O3.ClO4
inchikey: JYOBKLDILFTWJN-UHFFFAOYSA-M
norman_susdat_id: NS00084144
smiles: CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC.[O-]Cl(=O)(=O)=O
inchi:
InChI=1/C28H30N2O3.ClHO4/c1-5-29(6-2)19-13-15-23-25(17-19)33-26-18-20(30(7-3)8-4)14-16-24(26)27(23)21-11-9-10-12-22(21)28(31)32;2-1(3,4)5/h9-18H,5-8H2,1-4H3;(H,2,3,4,5)


name: monoxerutin
cas: 23869-24-1
chemspiderid: 11599609
dtxsid: DTXSID70905139
formula: C29H34O17
inchikey: MBHXKZDTQCSVPM-UHFFFAOYSA-N
norman_susdat_id: NS00001976
pubchem_cid: 13713195
smiles: CC1OC(OCC2OC(Oc3c(oc4cc(OCCO)cc(O)c4c3=O)-c3ccc(O)c(O)c3)C(O)C(O)C2O)C(O)C(O)C1O
inchi:
InChI=1S/C29H34O17/c1-10-19(34)22(37)24(39)28(43-10)42-9-17-20(35)23(38)25(40)29(45-17)46-27-21(36)18-15(33)7-12(41-5-4-30)8-16(18)44-26(27)11-2-3-13(31)14(32)6-11/h2-3,6-8,10,17,19-20,22-25,28-35,37-40H,4-5,9H2,1H3


name: 2-hydroxynaphthalene-1-carbaldehyde [(2-hydroxy-1-naphthyl)methylene]hydrazone
cas: 2387-03-3
dtxsid: DTXSID70862915
formula: C22H16N2O2
inchikey: SYRBOMODLUADBZ-UHFFFAOYSA-N
norman_susdat_id: NS00048894
pubchem_cid: 75433
smiles: OC=1C=CC=2C=CC=CC2C1C=NN=CC3=C(O)C=CC=4C=CC=CC43
inchi:
InChI=1/C22H16N2O2/c25-21-11-9-15-5-1-3-7-17(15)19(21)13-23-24-14-20-18-8-4-2-6-16(18)10-12-22(20)26/h1-14,25-26H


name: Argininosuccinic acid
cas: 2387-71-5
chemspiderid: 16059
dtxsid: DTXSID80178574
formula: C10H18N4O6
inchikey: KDZOASGQNOPSCU-WDSKDSINSA-N
norman_susdat_id: NS00014794
pubchem_cid: 16950
smiles: O=C(O)C(N)CCC/N=C(/NC(C(=O)O)CC(=O)O)N
inchi:
InChI=1S/C10H18N4O6/c11-5(8(17)18)2-1-3-13-10(12)14-6(9(19)20)4-7(15)16/h5-6H,1-4,11H2,(H,15,16)(H,17,18)(H,19,20)(H3,12,13,14)/t5-,6-/m0/s1


name: C.I. Disperse violet 46
cas: 23873-10-1
chemspiderid: 23350427
formula: C24H18Cl1N3O3
inchikey: BUBSAYORVKRGPI-UHFFFAOYSA-N
norman_susdat_id: NS00021071
pubchem_cid: 59858273
smiles: Cc1c(Oc2c(Cl)c(N)c3C(=O)c4ccccc4C(=O)c3c2N)ccc(CCC#N)c1
inchi:
InChI=1S/C24H18ClN3O3/c1-12-11-13(5-4-10-26)8-9-16(12)31-24-19(25)20(27)17-18(21(24)28)23(30)15-7-3-2-6-14(15)22(17)29/h2-3,6-9,11H,4-5,27-28H2,1H3


name: 4,4'-(Ethylenediimino)bis(4-oxobutyric) acid
cas: 23873-27-0
chemspiderid: 81512
dtxsid: DTXSID40178575
formula: C10H16N2O6
inchikey: LMGPYVMSTVLFIS-UHFFFAOYSA-N
norman_susdat_id: NS00027496
pubchem_cid: 90288
smiles: OC(=O)CCC(=O)NCCNC(=O)CCC(=O)O
inchi:
InChI=1S/C10H16N2O6/c13-7(1-3-9(15)16)11-5-6-12-8(14)2-4-10(17)18/h1-6H2,(H,11,13)(H,12,14)(H,15,16)(H,17,18)


name: Proligestone
cas: 23873-85-0
formula: C23H32O4
inchikey: YDVNWTDVKVVFKN-HHRDFERRSA-N
norman_susdat_id: NS00051677
pubchem_cid: NA
smiles: O=C1C=C2CCC3C(CCC4(C)C5(OC(OC34CC5)CC)C(=O)C)C2CC1
inchi:
InChI=1/C23H32O4/c1-4-20-26-22(14(2)24)11-12-23(27-20)19-8-5-15-13-16(25)6-7-17(15)18(19)9-10-21(22,23)3/h13,17-20H,4-12H2,1-3H3


name: Bis[2-iodo-3-(perfluorooctyl)propyl] adipate
cas: 238742-84-2
dtxsid: DTXSID50371095
formula: C28H18F34I2O4
inchikey: XLQJVLIZYYUBIL-UHFFFAOYSA-N
norman_susdat_id: NS00110530
inchi:
InChI=1S/C28H18F34I2O4/c29-13(30,15(33,34)17(37,38)19(41,42)21(45,46)23(49,50)25(53,54)27(57,58)59)5-9(63)7-67-11(65)3-1-2-4-12(66)68-8-10(64)6-14(31,32)16(35,36)18(39,40)20(43,44)22(47,48)24(51,52)26(55,56)28(60,61)62/h9-10H,1-8H2

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC(I)COC(=O)CCCCC(=O)OCC(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)F


name: Tosedostat
cas: 238750-77-1
chebiid: CHEBI:95044
dtxsid: DTXSID60178577
formula: C21H30N2O6
inchikey: FWFGIHPGRQZWIW-SQNIBIBYSA-N
norman_susdat_id: NS00071015
pubchem_cid: 15547703
smiles: CC(C)C[C@@H](C(=O)N[C@H](C(=O)OC1CCCC1)c1ccccc1)[C@H](O)C(=O)NO
inchi:
InChI=1S/C21H30N2O6/c1-13(2)12-16(18(24)20(26)23-28)19(25)22-17(14-8-4-3-5-9-14)21(27)29-15-10-6-7-11-15/h3-5,8-9,13,15-18,24,28H,6-7,10-12H2,1-2H3,(H,22,25)(H,23,26)/t16-,17+,18+/m1/s1


name: Clorazepate
cas: 23887-31-2
chebiid: CHEBI:3761
chemspiderid: 2707
dtxsid: DTXSID20863674
formula: C16H11Cl1N2O3
inchikey: XDDJGVMJFWAHJX-UHFFFAOYSA-N
norman_susdat_id: NS00004505
pubchem_cid: 2809
smiles: OC(=O)C1N=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)


name: Cinepazet
cas: 23887-41-4
dtxsid: DTXSID20878521
formula: C20H28N2O6
inchikey: XDUOTWNXVDBCDY-UHFFFAOYSA-N
norman_susdat_id: NS00051678
pubchem_cid: 39758
smiles: O=C(OCC)CN1CCN(C(=O)C=CC2=CC(OC)=C(OC)C(OC)=C2)CC1
inchi:
InChI=1/C20H28N2O6/c1-5-28-19(24)14-21-8-10-22(11-9-21)18(23)7-6-15-12-16(25-2)20(27-4)17(13-15)26-3/h6-7,12-13H,5,8-11,14H2,1-4H3


name: Cinepazide
cas: 23887-46-9
dtxsid: DTXSID5048261
formula: C22H31N3O5
inchikey: RCUDFXMNPQNBDU-UHFFFAOYSA-N
norman_susdat_id: NS00050424
pubchem_cid: 2759
smiles: O=C(C=CC1=CC(OC)=C(OC)C(OC)=C1)N2CCN(CC(=O)N3CCCC3)CC2
inchi:
InChI=1/C22H31N3O5/c1-28-18-14-17(15-19(29-2)22(18)30-3)6-7-20(26)25-12-10-23(11-13-25)16-21(27)24-8-4-5-9-24/h6-7,14-15H,4-5,8-13,16H2,1-3H3


name: Cinpropazide
cas: 23887-47-0
formula: C21H31N3O5
inchikey: SGDDXBVRZYARLT-UHFFFAOYSA-N
norman_susdat_id: NS00084145
smiles: O=C(CN1CCN(CC1)C(=O)C=Cc2cc(OC)c(OC)c(OC)c2)NC(C)C
inchi:
InChI=1/C21H31N3O5/c1-15(2)22-19(25)14-23-8-10-24(11-9-23)20(26)7-6-16-12-17(27-3)21(29-5)18(13-16)28-4/h6-7,12-13,15H,8-11,14H2,1-5H3,(H,22,25)


name: N2-[(1,1-dimethylethoxy)carbonyl]-N6-[(phenylmethoxy)carbonyl]-L-lysine
cas: 2389-45-9
dtxsid: DTXSID50883840
formula: C19H28N2O6
inchikey: BDHUTRNYBGWPBL-HNNXBMFYSA-N
norman_susdat_id: NS00050187
pubchem_cid: 2724765
smiles: O=C(OCC=1C=CC=CC1)NCCCCC(NC(=O)OC(C)(C)C)C(=O)O
inchi:
InChI=1/C19H28N2O6/c1-19(2,3)27-18(25)21-15(16(22)23)11-7-8-12-20-17(24)26-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)


name: Methyl N6-[(1,1-dimethylethoxy)carbonyl]-N2-[(phenylmethoxy)carbonyl]-L-lysinate
cas: 2389-49-3
dtxsid: DTXSID40946670
formula: C20H30N2O6
inchikey: ZJWQKFBUQSKZOS-INIZCTEOSA-N
norman_susdat_id: NS00050188
pubchem_cid: 13943124
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)OC)CCCCNC(=O)OC(C)(C)C
inchi:
InChI=1/C20H30N2O6/c1-20(2,3)28-18(24)21-13-9-8-12-16(17(23)26-4)22-19(25)27-14-15-10-6-5-7-11-15/h5-7,10-11,16H,8-9,12-14H2,1-4H3,(H,21,24)(H,22,25)


name: IN2-(benzyloxycarbonyl)-N6-(tert-butoxycarbonyl)-L-lysine
cas: 2389-60-8
chemspiderid: 260181
dtxsid: DTXSID30178589
formula: C19H28N2O6
inchikey: DYSBKEOCHROEGX-HNNXBMFYSA-N
norman_susdat_id: NS00027505
pubchem_cid: 98765
smiles: CC(C)(C)OC(=O)NCCCCC(NC(=O)OCc1ccccc1)C(=O)O
inchi:
InChI=1S/C19H28N2O6/c1-19(2,3)27-17(24)20-12-8-7-11-15(16(22)23)21-18(25)26-13-14-9-5-4-6-10-14/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)/t15-/m0/s1


name: Quino[2,3-b]acridine-6,7,13,14(5H,12H)-tetrone, 4,11-dichloro-
cas: 2389-75-5
chemspiderid: 67970
dtxsid: DTXSID3062368
formula: C20H8Cl2N2O4
inchikey: QNOGVEMFYBHBED-UHFFFAOYSA-N
norman_susdat_id: NS00021903
pubchem_cid: 75440
smiles: Clc1cccc2c1[nH]c1c(c(=O)c3c(c1=O)c(=O)c1cccc(Cl)c1[nH]3)c2=O
inchi:
InChI=1S/C20H8Cl2N2O4/c21-9-5-1-3-7-13(9)23-15-11(17(7)25)19(27)16-12(20(15)28)18(26)8-4-2-6-10(22)14(8)24-16/h1-6H,(H,23,25)(H,24,26)


name: Anhydro-Erythromycin
cas: 23893-13-2
chemspiderid: 30988539
formula: C37H65N1O12
inchikey: YKAVHPRGGAUFDN-JTQLBUQXSA-N
norman_susdat_id: NS00009474
pubchem_cid: 83949
inchi:
InChI=1S/C37H65NO12/c1-14-25-36(10)29(40)22(6)37(50-36)18(2)16-35(9,49-37)31(48-33-27(39)24(38(11)12)15-19(3)44-33)20(4)28(21(5)32(42)46-25)47-26-17-34(8,43-13)30(41)23(7)45-26/h18-31,33,39-41H,14-17H2,1-13H3/t18-,19-,20+,21-,22-,23+,24+,25-,26+,27-,28+,29-,30+,31-,33+,34-,35-,36-,37+/m1/s1

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


name: 6-Hydroxyhexyl 1-amino-9,10-dihydro-4-hydroxy-9,10-dioxoanthracene-2-carboxylate
cas: 23893-98-3
chemspiderid: 81518
dtxsid: DTXSID00178591
formula: C21H21N1O6
inchikey: LYPUAMVCOPJRES-UHFFFAOYSA-N
norman_susdat_id: NS00027503
pubchem_cid: 90294
smiles: Nc1c2C(=O)c3c(cccc3)C(=O)c2c(O)cc1C(=O)OCCCCCCO
inchi:
InChI=1S/C21H21NO6/c22-18-14(21(27)28-10-6-2-1-5-9-23)11-15(24)16-17(18)20(26)13-8-4-3-7-12(13)19(16)25/h3-4,7-8,11,23-24H,1-2,5-6,9-10,22H2


name: Ammonium trihydrogen ethylenediaminetetraacetate
cas: 238-99-4
formula: C10H16N2O8.H3N
inchikey: FVCHPLIQTBSXKX-UHFFFAOYSA-K
norman_susdat_id: NS00081157
smiles: [NH4+].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]
inchi:
InChI=1/C10H16N2O8.H3N/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);1H3/p-3


name: Benzo[a]pentacene
cas: 239-98-5
dtxsid: DTXSID50178602
formula: C26H16
inchikey: PLKNNIMJRPBOSW-UHFFFAOYSA-N
norman_susdat_id: NS00041798
pubchem_cid: 67482
smiles: C=1C=CC2=CC3=CC=4C=C5C(C=CC=6C=CC=CC65)=CC4C=C3C=C2C1
inchi:
InChI=1/C26H16/c1-2-7-19-12-22-15-24-16-26-20(10-9-17-5-3-4-8-25(17)26)13-23(24)14-21(22)11-18(19)6-1/h1-16H


name: Methyl cis-icos-11-enoate
cas: 2390-09-2
chebiid: CHEBI:143583
formula: C21H40O2
inchikey: RBKMRGOHCLRTLZ-KHPPLWFESA-N
norman_susdat_id: NS00050189
pubchem_cid: 5463047
smiles: O=C(OC)CCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C21H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h10-11H,3-9,12-20H2,1-2H3


name: Hetolin
cas: 2390-22-9
chemspiderid: 67336
dtxsid: DTXSID70178604
formula: C26H25Cl3N2O1
inchikey: SWDPECKACXBPCX-UHFFFAOYSA-N
norman_susdat_id: NS00027506
pubchem_cid: 74764
smiles: CN1CCN(CC1)C(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
inchi:
InChI=1S/C26H25Cl3N2O/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


name: 2-[4-(dimethylamino)phenyl]-3,6-dimethylbenzothiazolium chloride
cas: 2390-54-7
chebiid: CHEBI:76023
dtxsid: DTXSID10883841
formula: C17H19N2S
inchikey: JADVWWSKYZXRGX-UHFFFAOYSA-M
norman_susdat_id: NS00049463
pubchem_cid: 16954
smiles: [Cl-].S1C=2C=C(C=CC2[N+](=C1C3=CC=C(C=C3)N(C)C)C)C
inchi:
InChI=1/C17H19N2S.ClH/c1-12-5-10-15-16(11-12)20-17(19(15)4)13-6-8-14(9-7-13)18(2)3;/h5-11H,1-4H3;1H/q+1;/p-1


name: 3-amino-7-(dimethylamino)-5-phenylphenazinium chloride
cas: 2390-56-9
dtxsid: DTXSID00946696
formula: C20H19N4
inchikey: SQHWUYVHKRVCMD-UHFFFAOYSA-N
norman_susdat_id: NS00050190
pubchem_cid: 75443
smiles: [Cl-].N=1C=2C=CC(N)=CC2[N+](C=3C=CC=CC3)=C4C=C(C=CC14)N(C)C
inchi:
InChI=1/C20H18N4.ClH/c1-23(2)16-9-11-18-20(13-16)24(15-6-4-3-5-7-15)19-12-14(21)8-10-17(19)22-18;/h3-13,21H,1-2H3;1H


name: [4-[bis[4-(diethylamino)phenyl]methylene]-2,5-cyclohexadien-1-ylidene]diethylammonium chloride
cas: 2390-59-2
chebiid: CHEBI:88010
formula: C31H42N3.Cl
inchikey: JVICFMRAVNKDOE-UHFFFAOYSA-M
norman_susdat_id: NS00083352
smiles: [Cl-].CCN(CC)c1ccc(cc1)C(=C2C=CC(=[N+](CC)CC)C=C2)c3ccc(cc3)N(CC)CC
inchi:
InChI=1/C31H42N3.ClH/c1-7-32(8-2)28-19-13-25(14-20-28)31(26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6;/h13-24H,7-12H2,1-6H3;1H/q+1;/p-1


name: Basic Blue 7
cas: 2390-60-5
chemspiderid: 84306
dtxsid: DTXSID5038888
formula: C33H41N3
inchikey: XSUHEJOQTJYXBD-UHFFFAOYSA-N
norman_susdat_id: NS00013376
pubchem_cid: 20027027
smiles: [Cl-].CCNc1ccc([C+](c2ccc(cc2)N(CC)CC)c3ccc(cc3)N(CC)CC)c4ccccc14
inchi:
InChI=1S/C33H40N3.ClH/c1-6-34-32-24-23-31(29-13-11-12-14-30(29)32)33(25-15-19-27(20-16-25)35(7-2)8-3)26-17-21-28(22-18-26)36(9-4)10-5;/h11-24,34H,6-10H2,1-5H3;1H/q+1;/p-1


name: C.I.Basic Violet 11
cas: 2390-63-8
chemspiderid: 55247
dtxsid: DTXSID5051737
formula: C30H35N2O3
inchikey: UOKMUTMXUMSRKM-UHFFFAOYSA-M
norman_susdat_id: NS00019885
pubchem_cid: 61308
smiles: [Cl-].CCOC(=O)c1c(cccc1)c1c2ccc(cc2[o+]c2c1ccc(c2)N(CC)CC)N(CC)CC
inchi:
InChI=1S/C30H35N2O3/c1-6-31(7-2)21-15-17-25-27(19-21)35-28-20-22(32(8-3)9-4)16-18-26(28)29(25)23-13-11-12-14-24(23)30(33)34-10-5/h11-20H,6-10H2,1-5H3/q+1


name: Didecyldimethylammonium bromide
cas: 2390-68-3
formula: C22H48N.Br
inchikey: UMGXUWVIJIQANV-UHFFFAOYSA-M
norman_susdat_id: NS00083353
smiles: [Br-].CCCCCCCCCC[N+](C)(C)CCCCCCCCCC
inchi:
InChI=1/C22H48N.BrH/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;/h5-22H2,1-4H3;1H/q+1;/p-1


name: a-glycyltryptophan
cas: 2390-74-1
formula: C13H15N3O3
inchikey: WQTAHVHDFZAPQB-UHFFFAOYSA-N
norman_susdat_id: NS00050191
pubchem_cid: NA
smiles: O=C(O)C(N)(C(=O)CN)CC1=CNC=2C=CC=CC21
inchi:
InChI=1/C13H15N3O3/c14-6-11(17)13(15,12(18)19)5-8-7-16-10-4-2-1-3-9(8)10/h1-4,7,16H,5-6,14-15H2,(H,18,19)


name: Chanoclavine
cas: 2390-99-0
chebiid: CHEBI:3576
chemspiderid: 4444739
dtxsid: DTXSID50893242
formula: C16H20N2O
inchikey: SAHHMCVYMGARBT-HEESEWQSSA-N
norman_susdat_id: NS00094740
pubchem_cid: 5281381
smiles: CN[C@@H]1CC2=CNC3=CC=CC([C@H]1C=C(/C)CO)=C23
inchi:
InChI=1S/C16H20N2O/c1-10(9-19)6-13-12-4-3-5-14-16(12)11(8-18-14)7-15(13)17-2/h3-6,8,13,15,17-19H,7,9H2,1-2H3/b10-6+/t13-,15-/m1/s1


name: Tetraoctylphosphonium bromide
cas: 23906-97-0
dtxsid: DTXSID5047900
formula: C32H68P
inchikey: QVBRLOSUBRKEJW-UHFFFAOYSA-M
norman_susdat_id: NS00051679
pubchem_cid: 3015167
smiles: [Br-].CCCCCCCC[P+](CCCCCCCC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/C32H68P.BrH/c1-5-9-13-17-21-25-29-33(30-26-22-18-14-10-6-2,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4;/h5-32H2,1-4H3;1H/q+1;/p-1


name: 1-benzyl-1,2,5,6-tetrahydro-2-[(4-methoxyphenyl)methyl]-3,4-dimethylpyridine
cas: 23909-52-6
dtxsid: DTXSID40946731
formula: C22H27NO
inchikey: FGVXHUJLIAKCEK-UHFFFAOYSA-N
norman_susdat_id: NS00050889
pubchem_cid: 91057
smiles: O(C1=CC=C(C=C1)CC2C(=C(C)CCN2CC=3C=CC=CC3)C)C
inchi:
InChI=1/C22H27NO/c1-17-13-14-23(16-20-7-5-4-6-8-20)22(18(17)2)15-19-9-11-21(24-3)12-10-19/h4-12,22H,13-16H2,1-3H3


name: 9-(4-aminophenyl)-2-methylacridin-3-amine nitrate
cas: 2391-28-8
dtxsid: DTXSID10178623
formula: C20H17N3
inchikey: ICISKFRDNHZCKS-UHFFFAOYSA-N
norman_susdat_id: NS00050192
pubchem_cid: 164958
smiles: O=[N+]([O-])O.N=1C=2C=CC=CC2C(C=3C=CC(N)=CC3)=C4C=C(C(N)=CC14)C
inchi:
InChI=1/C20H17N3.HNO3/c1-12-10-16-19(11-17(12)22)23-18-5-3-2-4-15(18)20(16)13-6-8-14(21)9-7-13;2-1(3)4/h2-11H,21-22H2,1H3;(H,2,3,4)


name: Sodium 6-amino-2,3-dihydro-1,3-dioxo-2-(p-tolyl)-1H-benz[de]isoquinoline-5-sulphonate
cas: 2391-30-2
chebiid: CHEBI:87226
dtxsid: DTXSID70883842
formula: C19H14N2O5S
inchikey: HYLDLLCHFLSKAG-UHFFFAOYSA-M
norman_susdat_id: NS00048913
pubchem_cid: 75447
smiles: [Na+].O=C1C2=CC=CC=3C(N)=C(C=C(C(=O)N1C4=CC=C(C=C4)C)C23)S(=O)(=O)[O-]
inchi:
InChI=1/C19H14N2O5S.Na/c1-10-5-7-11(8-6-10)21-18(22)13-4-2-3-12-16(13)14(19(21)23)9-15(17(12)20)27(24,25)26;/h2-9H,20H2,1H3,(H,24,25,26);/q;+1/p-1


name: Adenylyl-(3'<U+2192>5')-adenosine
cas: 2391-46-0
formula: C20H25N10O10P
inchikey: UYSXBCQACJTYFS-UHFFFAOYSA-N
norman_susdat_id: NS00048914
pubchem_cid: 260398
smiles: O=P(O)(OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O)OC4C(O)C(OC4CO)N5C=NC=6C(=NC=NC65)N
inchi:
InChI=1/C20H25N10O10P/c21-15-9-17(25-3-23-15)29(5-27-9)19-12(33)11(32)8(39-19)2-37-41(35,36)40-14-7(1-31)38-20(13(14)34)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H2,21,23,25)(H2,22,24,26)


name: Dibutylammonium dibutyldithiocarbamate
cas: 2391-80-2
formula: C9H19NS2.C8H19N
inchikey: YPQOCKOIFRNBQW-UHFFFAOYSA-N
norman_susdat_id: NS00083701
smiles: CCCC[NH2+]CCCC.CCCCN(CCCC)C(=S)[S-]
inchi:
InChI=1/C9H19NS2.C8H19N/c1-3-5-7-10(9(11)12)8-6-4-2;1-3-5-7-9-8-6-4-2/h3-8H2,1-2H3,(H,11,12);9H,3-8H2,1-2H3


name: Cyclic dtpa anhydride
cas: 23911-26-4
chemspiderid: 91101
dtxsid: DTXSID30178625
formula: C14H19N3O8
inchikey: RAZLJUXJEOEYAM-UHFFFAOYSA-N
norman_susdat_id: NS00027508
pubchem_cid: 16760401
smiles: OC(=O)CN(CCN1CC(=O)OC(=O)C1)CCN1CC(=O)OC(=O)C1
inchi:
InChI=1S/C14H19N3O8/c18-10(19)5-15(1-3-16-6-11(20)24-12(21)7-16)2-4-17-8-13(22)25-14(23)9-17/h1-9H2,(H,18,19)


name: Fluopicolide
cas: 239110-15-7
chebiid: CHEBI:81764
chemspiderid: 9334122
dtxsid: DTXSID7034624
formula: C14H8Cl3F3N2O1
inchikey: GBOYJIHYACSLGN-UHFFFAOYSA-N
norman_susdat_id: NS00004383
pubchem_cid: 11159021
smiles: FC(F)(F)c1cnc(CNC(=O)c2c(Cl)cccc2Cl)c(Cl)c1
inchi:
InChI=1S/C14H8Cl3F3N2O/c15-8-2-1-3-9(16)12(8)13(23)22-6-11-10(17)4-7(5-21-11)14(18,19)20/h1-5H,6H2,(H,22,23)


name: Eritadenine
cas: 23918-98-1
dtxsid: DTXSID00178632
formula: C9H11N5O4
inchikey: LIEMBEWXEZJEEZ-INEUFUBQSA-N
norman_susdat_id: NS00068883
pubchem_cid: 159961
smiles: Nc1ncnc2c1ncn2C[C@@H](O)[C@@H](O)C(=O)O
inchi:
InChI=1S/C9H11N5O4/c10-7-5-8(12-2-11-7)14(3-13-5)1-4(15)6(16)9(17)18/h2-4,6,15-16H,1H2,(H,17,18)(H2,10,11,12)/t4-,6-/m1/s1


name: Dexamethasone 21-(disodium phosphate)
cas: 2392-39-4
chebiid: CHEBI:4462
formula: C22H30FO8P.2Na
inchikey: PLCQGRYPOISRTQ-FCJDYXGNSA-L
norman_susdat_id: NS00083368
inchi:
InChI=1/C22H30FO8P.2Na/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;2*+1/p-2

smiles:
[Na+].[Na+].C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COP(=O)([O-])[O-]


name: Alphaxalone
cas: 23930-19-0
chebiid: CHEBI:34531
dtxsid: DTXSID9022576
formula: C21H32O3
inchikey: DUHUCHOQIDJXAT-OLVMNOGESA-N
norman_susdat_id: NS00067930
smiles: CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](O)CC[C@]4(C)[C@H]3C(=O)C[C@]12C
inchi:
InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1


name: Alfadolone acetate
cas: 23930-37-2
chebiid: CHEBI:92901
chemspiderid: 23124
dtxsid: DTXSID7045443
formula: C23H34O5
inchikey: QRJOQYLXZPQQMX-FWROMSNXSA-N
norman_susdat_id: NS00027510
pubchem_cid: 24733
smiles: CC(=O)OCC(=O)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C
inchi:
InChI=1S/C23H34O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h14-18,21,25H,4-12H2,1-3H3/t14-,15-,16+,17-,18-,21+,22+,23-/m1/s1


name: Pentasodium 2-(2-oxido-3,5-disulphonatophenoxy)-1,3,2-benzodioxastibole-4,6-disulphonate
cas: 23940-36-5
formula: C12H4O16S4Sb.5Na
inchikey: OHTHQYRXGHLVTE-UHFFFAOYSA-F
norman_susdat_id: NS00084733
smiles: Oc1c(O[Sb]2Oc3cc(cc(c3O2)S(=O)(=O)O[Na])S(=O)(=O)O[Na])c(O[Na])c(cc1S(=O)(=O)O[Na])S(=O)(=O)O[Na]
inchi:
InChI=1/C6H6O9S2.C6H6O8S2.5Na.Sb/c7-4-2(16(10,11)12)1-3(17(13,14)15)5(8)6(4)9;7-4-1-3(15(9,10)11)2-5(6(4)8)16(12,13)14;;;;;;/h1,7-9H,(H,10,11,12)(H,13,14,15);1-2,7-8H,(H,9,10,11)(H,12,13,14);;;;;;/q;;5*+1;+3/p-8/rC6H4Na2O9S2.C6H4Na2O8S2.Na.Sb/c7-16-18(12,13)2-1-3(19(14,15)17-8)5(10)6(11)4(2)9;7-15-17(11,12)3-1-4(9)6(10)5(2-3)18(13,14)16-8;;/h1,9-11H;1-2,9-10H;;/q;;+1;+3/p-4


name: 9,10-Anthracenedione, 1,4-dihydroxy-5,8-bis[(4-methylphenyl)amino]-
cas: 23941-48-2
chemspiderid: 81334
dtxsid: DTXSID6066941
formula: C28H22N2O4
inchikey: OZQQAZPMNWJRDQ-UHFFFAOYSA-N
norman_susdat_id: NS00027513
pubchem_cid: 90299
smiles: Cc1ccc(Nc2ccc(Nc3ccc(C)cc3)c3c2C(=O)c2c(c(O)ccc2O)C3=O)cc1
inchi:
InChI=1S/C28H22N2O4/c1-15-3-7-17(8-4-15)29-19-11-12-20(30-18-9-5-16(2)6-10-18)24-23(19)27(33)25-21(31)13-14-22(32)26(25)28(24)34/h3-14,29-32H,1-2H3


cas: 23942-99-6
dtxsid: DTXSID30946765
formula: C22H27NO7
inchikey: BHLLOBXLOWXZDQ-UHFFFAOYSA-N
norman_susdat_id: NS00050934
pubchem_cid: 98447
smiles: OCC1=C(OC)C(OC)=CC=C1C(O)C2C3=C(OC)C=4OCOC4C=C3CCN2C
name:
[S-(R*,S*)]-3,4-dimethoxy-a1-(5,6,7,8-tetrahydro-4-methoxy-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-o-xylene-a,a'-diol

inchi:
InChI=1/C22H27NO7/c1-23-8-7-12-9-16-21(30-11-29-16)22(28-4)17(12)18(23)19(25)13-5-6-15(26-2)20(27-3)14(13)10-24/h5-6,9,18-19,24-25H,7-8,10-11H2,1-4H3


name: Ethanediamide, N-(2-ethoxyphenyl)-N'-(2-ethylphenyl)-
cas: 23949-66-8
chemspiderid: 81525
dtxsid: DTXSID1066944
formula: C18H20N2O3
inchikey: YIMHRDBSVCPJOV-UHFFFAOYSA-N
norman_susdat_id: NS00009918
pubchem_cid: 90303
smiles: CCOc1ccccc1NC(=O)C(=O)Nc1ccccc1CC
inchi:
InChI=1S/C18H20N2O3/c1-3-13-9-5-6-10-14(13)19-17(21)18(22)20-15-11-7-8-12-16(15)23-4-2/h5-12H,3-4H2,1-2H3,(H,19,21)(H,20,22)


name: Potassium perfluorooctanoate
cas: 2395-00-8
dtxsid: DTXSID00880026
formula: C8F15KO2
inchikey: WPDDXKNWUVLZMQ-UHFFFAOYSA-M
norman_susdat_id: NS00108851
smiles: [K+].[O-]C(=O)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/C8HF15O2.K/c9-2(10,1(24)25)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)23;/h(H,24,25);/q;+1/p-1


name: 2-chloro-6a,9-difluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-acetate
cas: 23961-22-0
dtxsid: DTXSID60178673
formula: C24H29ClF2O6
inchikey: RHQJBSYFEXTDNK-JKGZCGFNSA-N
norman_susdat_id: NS00050936
pubchem_cid: 21116681
smiles: O=C1C=C2C(F)CC3C4CC(C)C(O)(C(=O)COC(=O)C)C4(C)CC(O)C3(F)C2(C=C1Cl)C
inchi:
InChI=1/C24H29ClF2O6/c1-11-5-13-14-6-17(26)15-7-18(29)16(25)8-21(15,3)23(14,27)19(30)9-22(13,4)24(11,32)20(31)10-33-12(2)28/h7-8,11,13-14,17,19,30,32H,5-6,9-10H2,1-4H3


name: 9ß,11ß-epoxy-6a-fluoro-17,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione
cas: 23961-95-7
dtxsid: DTXSID90946807
formula: C22H27FO5
inchikey: NMNNKCZINHXRCS-LWQOSQCCSA-N
norman_susdat_id: NS00052157
pubchem_cid: 13023341
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(O)(C(=O)CO)C4(C)CC5OC532)C
inchi:
InChI=1/C22H27FO5/c1-11-6-13-14-8-16(23)15-7-12(25)4-5-19(15,2)22(14)18(28-22)9-20(13,3)21(11,27)17(26)10-24/h4-5,7,11,13-14,16,18,24,27H,6,8-10H2,1-3H3


name: Articaine
cas: 23964-58-1
chebiid: CHEBI:91834
chemspiderid: 29837
dtxsid: DTXSID7048536
formula: C13H20N2O3S1
inchikey: QTGIAADRBBLJGA-UHFFFAOYSA-N
norman_susdat_id: NS00006488
pubchem_cid: 32170
smiles: CCCNC(C)C(=O)Nc1c(C)csc1C(=O)OC
inchi:
InChI=1S/C13H20N2O3S/c1-5-6-14-9(3)12(16)15-10-8(2)7-19-11(10)13(17)18-4/h7,9,14H,5-6H2,1-4H3,(H,15,16)


cas: 23969-24-6
formula: C16H13ClN5O7S
inchikey: LKEVQWMUALHPNS-UHFFFAOYSA-N
norman_susdat_id: NS00051350
pubchem_cid: 90319
smiles: O=C1N(N=C(C)C1N=NC=2C=C(C=C(C2O)[N+](=O)[O-])S(=O)(=O)O)C=3C=CC=C(Cl)C3
name:
3-[[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-hydroxy-5-nitrobenzenesulphonic acid

inchi:
InChI=1/C16H12ClN5O7S/c1-8-14(16(24)21(20-8)10-4-2-3-9(17)5-10)19-18-12-6-11(30(27,28)29)7-13(15(12)23)22(25)26/h2-7,14,23H,1H3,(H,27,28,29)


name: Benzoxazole, 2,2'-(1,2-ethenediyldi-4,1-phenylene)bis[5-methyl-
cas: 2397-00-4
chemspiderid: 21159632
dtxsid: DTXSID2062379
formula: C30H22N2O2
inchikey: OKEZAUMKBWTTCR-UHFFFAOYSA-N
norman_susdat_id: NS00027520
pubchem_cid: 102253
smiles: Cc1cc2c(oc(n2)c2ccc(/C=C/c3ccc(cc3)c3nc4c(o3)ccc(C)c4)cc2)cc1
inchi:
InChI=1S/C30H22N2O2/c1-19-3-15-27-25(17-19)31-29(33-27)23-11-7-21(8-12-23)5-6-22-9-13-24(14-10-22)30-32-26-18-20(2)4-16-28(26)34-30/h3-18H,1-2H3/b6-5+


name: 2,2'-(vinylenedi-p-phenylene)bis[5-tert-butylbenzoxazole]
cas: 2397-01-5
formula: C36H34N2O2
inchikey: PSVDQOKAQPGOLT-UHFFFAOYSA-N
norman_susdat_id: NS00048646
pubchem_cid: NA
smiles: N1=C(OC2=CC=C(C=C12)C(C)(C)C)C3=CC=C(C=CC4=CC=C(C=C4)C5=NC6=CC(=CC=C6O5)C(C)(C)C)C=C3
inchi:
InChI=1/C36H34N2O2/c1-35(2,3)27-17-19-31-29(21-27)37-33(39-31)25-13-9-23(10-14-25)7-8-24-11-15-26(16-12-24)34-38-30-22-28(36(4,5)6)18-20-32(30)40-34/h7-22H,1-6H3


name: 2-Naphthalenesulfonic acid, 6-[(2,6-dimethylphenyl)amino]-4-hydroxy-
cas: 23973-67-3
chemspiderid: 81541
dtxsid: DTXSID6066945
formula: C18H17N1O4S1
inchikey: GYBJEFAGISHFTI-UHFFFAOYSA-N
norman_susdat_id: NS00027521
pubchem_cid: 90320
smiles: Cc1cccc(C)c1Nc1cc2c(cc1)cc(cc2O)S(=O)(=O)O
inchi:
InChI=1S/C18H17NO4S/c1-11-4-3-5-12(2)18(11)19-14-7-6-13-8-15(24(21,22)23)10-17(20)16(13)9-14/h3-10,19-20H,1-2H3,(H,21,22,23)


name: Cryptating agent 222
cas: 23978-09-8
chemspiderid: 65637
dtxsid: DTXSID00178697
formula: C18H36N2O6
inchikey: AUFVJZSDSXXFOI-UHFFFAOYSA-N
norman_susdat_id: NS00020283
pubchem_cid: 72801
smiles: C1COCCN2CCOCCOCCN(CCO1)CCOCCOCC2
inchi:
InChI=1S/C18H36N2O6/c1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20/h1-18H2


name: beta-Peltatin A methyl ether
cas: 23978-65-6
chebiid: CHEBI:10437
chemspiderid: 140629
dtxsid: DTXSID70178700
formula: C23H24O8
inchikey: BFKORKXLSJUYSS-RQUSPXKASA-N
norman_susdat_id: NS00094770
pubchem_cid: 159962
smiles: COC1=CC(=CC(OC)=C1OC)[C@H]1[C@@H]2[C@H](COC2=O)CC2=C(OC)C3=C(OCO3)C=C12
inchi:
InChI=1S/C23H24O8/c1-25-15-6-11(7-16(26-2)21(15)28-4)18-13-8-17-22(31-10-30-17)20(27-3)14(13)5-12-9-29-23(24)19(12)18/h6-8,12,18-19H,5,9-10H2,1-4H3/t12-,18+,19-/m0/s1


cas: 23978-84-9
chemspiderid: 24665272
dtxsid: DTXSID70677021
formula: C22H30O4
inchikey: VITZNDKHSIWPSR-HZPDHXFCSA-N
norman_susdat_id: NS00094787
pubchem_cid: 46889976
smiles: CCCCCC1=CC(O)=C2[C@@H]3C=C(C)CC[C@H]3C(C)(C)OC2=C1C(O)=O
name:
(6aR,10aR)-1-Hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydro-6H-dibenzo[b,d]pyran-4-carboxylic acid

inchi:
InChI=1S/C22H30O4/c1-5-6-7-8-14-12-17(23)19-15-11-13(2)9-10-16(15)22(3,4)26-20(19)18(14)21(24)25/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25)/t15-,16-/m1/s1


name: delta(9)-Tetrahydrocannabinolic acid
cas: 23978-85-0
chemspiderid: 8220
dtxsid: DTXSID30178701
formula: C22H30O4
inchikey: UCONUSSAWGCZMV-UHFFFAOYSA-N
norman_susdat_id: NS00040715
pubchem_cid: 98523
smiles: CCCCCc1cc2OC(C)(C)C3CCC(C)=CC3c2c(O)c1C(O)=O
inchi:
InChI=1S/C22H30O4/c1-5-6-7-8-14-12-17-19(20(23)18(14)21(24)25)15-11-13(2)9-10-16(15)22(3,4)26-17/h11-12,15-16,23H,5-10H2,1-4H3,(H,24,25)


name: 3ß-hydroxyandrost-5-en-17-one heptanoate
cas: 23983-43-9
dtxsid: DTXSID00946833
formula: C26H40O3
inchikey: HHENOUDBWKNPAB-BNCSLUSBSA-N
norman_susdat_id: NS00051444
pubchem_cid: 163331
smiles: O=C(OC1CC2=CCC3C4CCC(=O)C4(C)CCC3C2(C)CC1)CCCCCC
inchi:
InChI=1/C26H40O3/c1-4-5-6-7-8-24(28)29-19-13-15-25(2)18(17-19)9-10-20-21-11-12-23(27)26(21,3)16-14-22(20)25/h9,19-22H,4-8,10-17H2,1-3H3


name: (-)-Germacrene D
cas: 23986-74-5
chebiid: CHEBI:49044
chemspiderid: 4941209
dtxsid: DTXSID70881247
formula: C15H24
inchikey: GAIBLDCXCZKKJE-RXJOXMPGSA-N
norman_susdat_id: NS00094791
pubchem_cid: 6436582
smiles: CC(C)[C@@H]1CCC(C)=CCCC(=C)C=C1
inchi:
InChI=1S/C15H24/c1-12(2)15-10-8-13(3)6-5-7-14(4)9-11-15/h7-8,10,12,15H,3,5-6,9,11H2,1-2,4H3/b10-8+,14-7+/t15-/m0/s1


name: Barbituric acid, sodium salt
cas: 24012-01-9
formula: C4H4N2O3.xNa
inchikey: MHQHHBYRYFICDV-UHFFFAOYSA-M
norman_susdat_id: NS00084503
smiles: [Na]N1C(=O)CC(=O)NC1=O
inchi:
InChI=1/C4H4N2O3.Na/c7-2-1-3(8)6-4(9)5-2;/h1H2,(H2,5,6,7,8,9);/q;+1/p-1/rC4H3N2NaO3/c7-6-3(9)1-2(8)5-4(6)10/h1H2,(H,5,8,10)


name: 7,7,8,8,9,9,10,10,11,11,12,12,12-Tridecafluoro-1-(1H-naphtho[2,3-d]imidazol-2-yl)dodecan-6-one
cas: 240121-57-7
dtxsid: DTXSID50896197
formula: C23H17F13N2O
inchikey: POKRZDJIXMSAAM-UHFFFAOYSA-N
norman_susdat_id: NS00110770
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)CCCCCc1Nc2cc3ccccc3cc2n1
inchi:
InChI=1S/C23H17F13N2O/c24-18(25,19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)36)16(39)8-2-1-3-9-17-37-14-10-12-6-4-5-7-13(12)11-15(14)38-17/h4-7,10-11H,1-3,8-9H2,(H,37,38)


name: (3β,5α,6α)-5,6-Epoxy-25,26,26,26,27,27,27-heptafluorocholestan-3-ol
cas: 240129-21-9
dtxsid: DTXSID20897499
formula: C27H39F7O2
inchikey: HYKMGIMCEAITDZ-YGWWPRODSA-N
norman_susdat_id: NS00109817
inchi:
InChI=1S/C27H39F7O2/c1-15(5-4-10-25(28,26(29,30)31)27(32,33)34)18-6-7-19-17-13-21-24(36-21)14-16(35)8-12-23(24,3)20(17)9-11-22(18,19)2/h15-21,35H,4-14H2,1-3H3/t15-,16+,17+,18-,19+,20+,21+,22-,23-,24+/m1/s1

smiles:
[H]C(C)(CCCC(F)(C(F)(F)F)C(F)(F)F)[C@@]1([H])CC[C@@]2([H])[C@]3([H])C[C@]4([H])O[C@@]44C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C


name: (3β,5β,6β)-5,6-Epoxy-25,26,26,26,27,27,27-heptafluorocholestan-3-ol
cas: 240129-24-2
dtxsid: DTXSID70897500
formula: C27H39F7O2
inchikey: HYKMGIMCEAITDZ-LYHHUVSJSA-N
norman_susdat_id: NS00111530
inchi:
InChI=1S/C27H39F7O2/c1-15(5-4-10-25(28,26(29,30)31)27(32,33)34)18-6-7-19-17-13-21-24(36-21)14-16(35)8-12-23(24,3)20(17)9-11-22(18,19)2/h15-21,35H,4-14H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-,22-,23-,24-/m1/s1

smiles:
[H]C(C)(CCCC(F)(C(F)(F)F)C(F)(F)F)[C@@]1([H])CC[C@@]2([H])[C@]3([H])C[C@@]4([H])O[C@]44C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C


name: (3β,7α)-25,26,26,26,27,27,27-Heptafluorocholest-5-ene-3,7-diol
cas: 240129-40-2
dtxsid: DTXSID40897496
formula: C27H39F7O2
inchikey: QWJXJQBUJMOZHY-IUXBHNFPSA-N
norman_susdat_id: NS00110498
inchi:
InChI=1S/C27H39F7O2/c1-15(5-4-10-25(28,26(29,30)31)27(32,33)34)18-6-7-19-22-20(9-12-24(18,19)3)23(2)11-8-17(35)13-16(23)14-21(22)36/h14-15,17-22,35-36H,4-13H2,1-3H3/t15-,17+,18-,19+,20+,21-,22+,23+,24-/m1/s1

smiles:
[H]C(C)(CCCC(F)(C(F)(F)F)C(F)(F)F)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@]([H])(O)C=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C


name: (3β,7β)-25,26,26,26,27,27,27-Heptafluorocholest-5-ene-3,7-diol
cas: 240129-42-4
dtxsid: DTXSID00897497
formula: C27H39F7O2
inchikey: QWJXJQBUJMOZHY-LFYMXAFLSA-N
norman_susdat_id: NS00109101
inchi:
InChI=1S/C27H39F7O2/c1-15(5-4-10-25(28,26(29,30)31)27(32,33)34)18-6-7-19-22-20(9-12-24(18,19)3)23(2)11-8-17(35)13-16(23)14-21(22)36/h14-15,17-22,35-36H,4-13H2,1-3H3/t15-,17+,18-,19+,20+,21+,22+,23+,24-/m1/s1

smiles:
[H]C(C)(CCCC(F)(C(F)(F)F)C(F)(F)F)[C@@]1([H])CC[C@@]2([H])[C@]3([H])[C@@]([H])(O)C=C4C[C@@]([H])(O)CC[C@]4(C)[C@@]3([H])CC[C@]12C


name: 3-[(1-butyl-1,2-dihydro-4-hydroxy-2-oxo-3-quinolyl)azo]-5-chloro-2-hydroxybenzenesulphonic acid
cas: 24014-78-6
formula: C19H18ClN3O6S
inchikey: CDBCJUOSCZAERS-UHFFFAOYSA-N
norman_susdat_id: NS00084801
smiles: OS(=O)(=O)c3cc(Cl)cc(N=N\C2=C(/O)c1ccccc1N(CCCC)C2=O)c3O
inchi:
InChI=1/C19H18ClN3O6S/c1-2-3-8-23-14-7-5-4-6-12(14)17(24)16(19(23)26)22-21-13-9-11(20)10-15(18(13)25)30(27,28)29/h4-7,9-10,24-25H,2-3,8H2,1H3,(H,27,28,29)


name: N-Benzyl-3-benzyloxy-2-pyridone
cas: 24016-11-3
chemspiderid: 81555
dtxsid: DTXSID10178749
formula: C19H17N1O2
inchikey: HMLBFYRJCGMNTI-UHFFFAOYSA-N
norman_susdat_id: NS00027537
pubchem_cid: 90335
smiles: O=c1n(Cc2ccccc2)cccc1OCc1ccccc1
inchi:
InChI=1S/C19H17NO2/c21-19-18(22-15-17-10-5-2-6-11-17)12-7-13-20(19)14-16-8-3-1-4-9-16/h1-13H,14-15H2


name: Sodium bis(2-hydroxyethyl) 5-sulphonatoisophthalate
cas: 24019-46-3
formula: C12H14O9S
inchikey: YZLGIRGCZODDCE-UHFFFAOYSA-M
norman_susdat_id: NS00051445
pubchem_cid: 90341
smiles: [Na+].O=C(OCCO)C=1C=C(C=C(C1)S(=O)(=O)[O-])C(=O)OCCO
inchi:
InChI=1/C12H14O9S.Na/c13-1-3-20-11(15)8-5-9(12(16)21-4-2-14)7-10(6-8)22(17,18)19;/h5-7,13-14H,1-4H2,(H,17,18,19);/q;+1/p-1


name: Disodium 4,4'-bis[(4-morpholino-6-o-toluidino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate
cas: 24019-80-5
dtxsid: DTXSID10891825
formula: C42H44N12O8S2
inchikey: NPCQBBQZOWVQDB-YHPRVSEPSA-L
norman_susdat_id: NS00051462
pubchem_cid: 32186
inchi:
InChI=1/C42H44N12O8S2.2Na/c1-27-7-3-5-9-33(27)45-39-47-37(49-41(51-39)53-17-21-61-22-18-53)43-31-15-13-29(35(25-31)63(55,56)57)11-12-30-14-16-32(26-36(30)64(58,59)60)44-38-48-40(46-34-10-6-4-8-28(34)2)52-42(50-38)54-19-23-62-24-20-54;;/h3-16,25-26H,17-24H2,1-2H3,(H,55,56,57)(H,58,59,60)(H2,43,45,47,49,51)(H2,44,46,48,50,52);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(=CC=C1C=CC2=CC=C(C=C2S(=O)(=O)[O-])NC=3N=C(N=C(N3)N4CCOCC4)NC=5C=CC=CC5C)NC=6N=C(N=C(N6)N7CCOCC7)NC=8C=CC=CC8C


name: 1-ethyl-2-((1-ethyl-1,2-dihydro-2-quinolylidene)methyl)quinolinium chloride
cas: 2402-42-8
chebiid: CHEBI:38004
formula: C23H23N2.Cl
inchikey: MHQOURYMHSSLDM-UHFFFAOYSA-M
norman_susdat_id: NS00082937
smiles: [Cl-].CC[n+]3c4ccccc4ccc3C=C2\C=C/c1ccccc1N2CC
inchi:
InChI=1/C23H23N2.ClH/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1


name: Didodecyl fumarate
cas: 2402-58-6
chemspiderid: 4721094
formula: C28H52O4
inchikey: HEJZJSIRBLOWPD-WCWDXBQESA-N
norman_susdat_id: NS00001413
pubchem_cid: 5846714
smiles: CCCCCCCCCCCCOC(=O)C=CC(=O)OCCCCCCCCCCCC
inchi:
InChI=1S/C28H52O4/c1-3-5-7-9-11-13-15-17-19-21-25-31-27(29)23-24-28(30)32-26-22-20-18-16-14-12-10-8-6-4-2/h23-24H,3-22,25-26H2,1-2H3/b24-23+


name: 2',3'-Dideoxyadenosine Triphosphate
cas: 24027-80-3
chebiid: CHEBI:172701
dtxsid: DTXSID90178767
formula: C10H16N5O11P3
inchikey: OAKPWEUQDVLTCN-NKWVEPMBSA-N
norman_susdat_id: NS00070603
pubchem_cid: 65304
smiles: Nc1ncnc2c1ncn2[C@H]1CC[C@@H](CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O1
inchi:
InChI=1S/C10H16N5O11P3/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(24-7)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h4-7H,1-3H2,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t6-,7+/m0/s1


name: (S)-4-amino-5-[(4-nitrophenyl)amino]-5-oxovaleric acid
cas: 24032-35-7
dtxsid: DTXSID10946884
formula: C11H14N3O5
inchikey: JXQXNQKTUGNZLD-VIFPVBQESA-N
norman_susdat_id: NS00050978
pubchem_cid: NA
smiles: O=C(O)CCC(N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-]
inchi:
InChI=1/C11H13N3O5/c12-9(5-6-10(15)16)11(17)13-7-1-3-8(4-2-7)14(18)19/h1-4,9H,5-6,12H2,(H,13,17)(H,15,16)


name: N-[2-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]ethyl]acetamide
cas: 24032-65-3
formula: C19H20ClN3O3S
inchikey: OLAWASSCAKHGDM-UHFFFAOYSA-N
norman_susdat_id: NS00050979
pubchem_cid: 21116609
smiles: O=C(NCCS(=O)(=O)C1=CC=C(C=C1)N2N=C(C=3C=CC(Cl)=CC3)CC2)C
inchi:
InChI=1/C19H20ClN3O3S/c1-14(24)21-11-13-27(25,26)18-8-6-17(7-9-18)23-12-10-19(22-23)15-2-4-16(20)5-3-15/h2-9H,10-13H2,1H3,(H,21,24)


cas: 24035-50-5
dtxsid: DTXSID10881206
formula: C20H28O
inchikey: YCLCHPWRGSDZKL-NRRUETGQSA-N
norman_susdat_id: NS00095894
smiles: CC(C)c1ccc2c(CCC3[C@@](C)(CCC[C@]23C)C=O)c1
name:
1-phenanthrenecarboxaldehyde, 1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-, [1s-(1alpha,4aalpha,10abeta)]-

inchi:
InChI=1S/C20H28O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12-14,18H,5,7,9-11H2,1-4H3/t18?,19-,20+/m0/s1


name: BisOPP-A
cas: 24038-68-4
chemspiderid: 10633445
dtxsid: DTXSID9058654
formula: C27H24O2
inchikey: BKTRENAPTCBBFA-UHFFFAOYSA-N
norman_susdat_id: NS00019380
pubchem_cid: 13059052
smiles: CC(C)(C1=CC(=C(O)C=C1)C1=CC=CC=C1)C1=CC(=C(O)C=C1)C1=CC=CC=C1
inchi:
InChI=1S/C27H24O2/c1-27(2,21-13-15-25(28)23(17-21)19-9-5-3-6-10-19)22-14-16-26(29)24(18-22)20-11-7-4-8-12-20/h3-18,28-29H,1-2H3


name: 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-4-hydroxy-5-nitrobenzenesulphonic acid
cas: 24041-30-3
formula: C16H14N5O7S
inchikey: QUANISJMUGIEPC-UHFFFAOYSA-N
norman_susdat_id: NS00051391
pubchem_cid: 91110
smiles: O=C1N(N=C(C)C1N=NC=2C=C(C=C(C2O)[N+](=O)[O-])S(=O)(=O)O)C=3C=CC=CC3
inchi:
InChI=1/C16H13N5O7S/c1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(29(26,27)28)8-13(15(12)22)21(24)25/h2-8,14,22H,1H3,(H,26,27,28)


name: Metofluthrin
cas: 240494-70-6
chebiid: CHEBI:79396
chemspiderid: 4445408
dtxsid: DTXSID4034738
formula: C18H20F4O3
inchikey: KVIZNNVXXNFLMU-AATRIKPKSA-N
norman_susdat_id: NS00004511
pubchem_cid: 5282227
smiles: COCc1c(F)c(F)c(COC(=O)C2C(C=CC)C2(C)C)c(F)c1F
inchi:
InChI=1S/C18H20F4O3/c1-5-6-11-12(18(11,2)3)17(23)25-8-10-15(21)13(19)9(7-24-4)14(20)16(10)22/h5-6,11-12H,7-8H2,1-4H3/b6-5+


name: Tris(3,3,4,4,5,5,6,6,6-nonafluorohexyl)stannane
cas: 240497-26-1
dtxsid: DTXSID20583360
formula: C18H13F27Sn
inchi: InChI=1S/3C6H4F9.Sn.H/c3*1-2-3(7,8)4(9,10)5(11,12)6(13,14)15;;/h3*1-2H2;;
inchikey: IXGCTPQSODDMDJ-UHFFFAOYSA-N
norman_susdat_id: NS00109537
smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[SnH](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Tris(3,3,4,4,5,5,6,6,6-nonafluorohexyl)(phenyl)stannane
cas: 240497-36-3
dtxsid: DTXSID00895675
formula: C24H17F27Sn
inchi: InChI=1S/3C6H4F9.C6H5.Sn/c3*1-2-3(7,8)4(9,10)5(11,12)6(13,14)15;1-2-4-6-5-3-1;/h3*1-2H2;1-5H;
inchikey: WFZSJBMGELYANT-UHFFFAOYSA-N
norman_susdat_id: NS00108996
smiles:
FC(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)F)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1


name: Bromotris(3,3,4,4,5,5,6,6,6-nonafluorohexyl)stannane
cas: 240497-37-4
dtxsid: DTXSID30583412
formula: C18H12BrF27Sn
inchi: InChI=1S/3C6H4F9.BrH.Sn/c3*1-2-3(7,8)4(9,10)5(11,12)6(13,14)15;;/h3*1-2H2;1H;/q;;;;+1/p-1
inchikey: GHTDTEBNYTUTDL-UHFFFAOYSA-M
norman_susdat_id: NS00109881
smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Sn](Br)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Sodium (2,3-dihydroxypropyl) phthalate
cas: 24066-77-1
dtxsid: DTXSID90946908
formula: C11H12O6
inchikey: NUAKIGIJWXBIBL-UHFFFAOYSA-M
norman_susdat_id: NS00051464
pubchem_cid: 3015171
smiles: [Na+].O=C([O-])C=1C=CC=CC1C(=O)OCC(O)CO
inchi:
InChI=1/C11H12O6.Na/c12-5-7(13)6-17-11(16)9-4-2-1-3-8(9)10(14)15;/h1-4,7,12-13H,5-6H2,(H,14,15);/q;+1/p-1


name: 1-Amino-4,5-dihydroxy-8-nitroanthraquinone
cas: 24069-55-4
chemspiderid: 4588370
dtxsid: DTXSID30178802
formula: C14H8N2O6
inchikey: XHTBQEDDFNUDSX-UHFFFAOYSA-N
norman_susdat_id: NS00027551
pubchem_cid: 101532136
smiles: Nc1c2C(=O)c3c(c(O)ccc3[N+](=O)[O-])C(=O)c2c(O)cc1
inchi:
InChI=1S/C14H8N2O6/c15-5-1-3-7(17)11-9(5)13(19)10-6(16(21)22)2-4-8(18)12(10)14(11)20/h1-4,17-18H,15H2


cas: 2407-13-8
dtxsid: DTXSID50889448
formula: C25H15Cl2N5O11S3
inchikey: XVQVAOMRVPNMNW-UHFFFAOYSA-K
norman_susdat_id: NS00047306
pubchem_cid: 160634
name:
Trisodium 5-[[(2,3-dichloro-6-quinoxalinyl)carbonyl]amino]-4-hydroxy-3-[(2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C25H15Cl2N5O11S3.3Na/c26-23-24(27)29-16-8-11(5-6-14(16)28-23)25(34)30-17-10-13(44(35,36)37)7-12-9-19(46(41,42)43)21(22(33)20(12)17)32-31-15-3-1-2-4-18(15)45(38,39)40;;;/h1-10,33H,(H,30,34)(H,35,36,37)(H,38,39,40)(H,41,42,43);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC(=CC2=CC(=C(N=NC=3C=CC=CC3S(=O)(=O)[O-])C(O)=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C=4C=CC5=NC(Cl)=C(Cl)N=C5C4


cas: 24075-57-8
formula: C12H13N3O3S4
inchikey: BWPACKUSUFELQM-UHFFFAOYSA-N
norman_susdat_id: NS00052218
pubchem_cid: 91118
smiles: O=C(O)CCSC1=NN(C(S1)=C2SC(=S)N(C2=O)CC=C)C
name:
3-[[5-[3-allyl-4-oxo-2-thioxothiazolidin-5-ylidene]-4,5-dihydro-4-methyl-1,3,4-thiadiazol-2-yl]thio]propionic acid

inchi:
InChI=1/C12H13N3O3S4/c1-3-5-15-9(18)8(21-12(15)19)10-14(2)13-11(22-10)20-6-4-7(16)17/h3H,1,4-6H2,2H3,(H,16,17)


cas: 24075-61-4
formula: C10H11N3O3S4
inchikey: DZTXQVVJWODIAX-UHFFFAOYSA-N
norman_susdat_id: NS00051392
pubchem_cid: NA
smiles: O=C(O)CSC1=NN(C(S1)=C2SC(=S)N(C2=O)CC)C
name:
[[5-(3-ethyl-4-oxo-2-thioxothiazolidin-5-ylidene)-4,5-dihydro-4-methyl-1,3,4-thiadiazol-2-yl]thio]acetic acid

inchi:
InChI=1/C10H11N3O3S4/c1-3-13-7(16)6(19-10(13)17)8-12(2)11-9(20-8)18-4-5(14)15/h3-4H2,1-2H3,(H,14,15)


name: Diethylstilbestrol monoglucoronide
cas: 2408-40-4
chemspiderid: 2300296
formula: C24H28O8
inchikey: LJMPVHCKUXKZAV-UHFFFAOYSA-N
norman_susdat_id: NS00040618
pubchem_cid: 10411193
smiles: CCC(=C(CC)c1ccc(OC2OC(C(O)C(O)C2O)C(O)=O)cc1)c1ccc(O)cc1
inchi:
InChI=1S/C24H28O8/c1-3-17(13-5-9-15(25)10-6-13)18(4-2)14-7-11-16(12-8-14)31-24-21(28)19(26)20(27)22(32-24)23(29)30/h5-12,19-22,24-28H,3-4H2,1-2H3,(H,29,30)


name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-N-(2-oxocyclooctyl)octane-1-sulfonamide
cas: 240801-56-3
dtxsid: DTXSID50896253
formula: C16H14F17NO3S
inchikey: IUCCIVARQVPPPQ-UHFFFAOYSA-N
norman_susdat_id: NS00110775
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)S(=O)(=O)NC1CCCCCCC1=O
inchi:
InChI=1/C16H14F17NO3S/c17-9(18,11(21,22)13(25,26)15(29,30)31)10(19,20)12(23,24)14(27,28)16(32,33)38(36,37)34-7-5-3-1-2-4-6-8(7)35/h7,34H,1-6H2


name: N-Benzyl albuterol
cas: 24085-03-8
chemspiderid: 82276
dtxsid: DTXSID80865134
formula: C20H27N1O3
inchikey: NZBXAYHLQSMNQS-UHFFFAOYSA-N
norman_susdat_id: NS00005855
pubchem_cid: 91122
smiles: CC(C)(C)N(CC(O)c1ccc(O)c(CO)c1)Cc1ccccc1
inchi:
InChI=1S/C20H27NO3/c1-20(2,3)21(12-15-7-5-4-6-8-15)13-19(24)16-9-10-18(23)17(11-16)14-22/h4-11,19,22-24H,12-14H2,1-3H3


name: 6-methylergoline-8ß-carboxamide
cas: 2410-19-7
dtxsid: DTXSID60946935
formula: C16H19N3O
inchikey: OEVHDXFBOKGRLN-MPKXVKKWSA-N
norman_susdat_id: NS00048035
pubchem_cid: 21122984
smiles: O=C(N)C1CN(C)C2CC3=CNC4=CC=CC(=C43)C2C1
inchi:
InChI=1/C16H19N3O/c1-19-8-10(16(17)20)5-12-11-3-2-4-13-15(11)9(7-18-13)6-14(12)19/h2-4,7,10,12,14,18H,5-6,8H2,1H3,(H2,17,20)


name: C.I. Pigment Red 123
cas: 24108-89-2
chemspiderid: 81584
dtxsid: DTXSID0066957
formula: C40H26N2O6
inchikey: SUAFEKASGNVLFQ-UHFFFAOYSA-N
norman_susdat_id: NS00020172
pubchem_cid: 90365
smiles: CCOc1ccc(cc1)n1c(=O)c2ccc3c4ccc5c(=O)n(c(=O)c6ccc(c7ccc(c1=O)c2c37)c4c56)c1ccc(OCC)cc1
inchi:
InChI=1S/C40H26N2O6/c1-3-47-23-9-5-21(6-10-23)41-37(43)29-17-13-25-27-15-19-31-36-32(40(46)42(39(31)45)22-7-11-24(12-8-22)48-4-2)20-16-28(34(27)36)26-14-18-30(38(41)44)35(29)33(25)26/h5-20H,3-4H2,1-2H3


cas: 2411-89-4
chemspiderid: 68014
dtxsid: DTXSID5062392
formula: C32H32N2O12
inchikey: IYZPEGVSBUNMBE-UHFFFAOYSA-N
norman_susdat_id: NS00021909
pubchem_cid: 44630186
smiles: Cc1c(O)c(CN(CC(=O)[O-])CC(=O)[O-])cc(c1)C1(OC(=O)c2ccccc12)c1cc(C)c(O)c(CN(CC(=O)[O-])CC(=O)[O-])c1
name:
Glycine, N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-

inchi:
InChI=1S/C32H32N2O12/c1-17-7-21(9-19(29(17)43)11-33(13-25(35)36)14-26(37)38)32(24-6-4-3-5-23(24)31(45)46-32)22-8-18(2)30(44)20(10-22)12-34(15-27(39)40)16-28(41)42/h3-10,43-44H,11-16H2,1-2H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42)


name: 3-[N-(2-hydroxyethyl)-p-[(6-nitrobenzothiazol-2-yl)azo]anilino]propiononitrile
cas: 24112-29-6
formula: C18H17N6O3S
inchikey: LVDNXHCLMAIUDS-UHFFFAOYSA-N
norman_susdat_id: NS00050552
pubchem_cid: 90366
smiles: N#CCCN(C1=CC=C(N=NC2=NC=3C=CC(=CC3S2)[N+](=O)[O-])C=C1)CCO
inchi:
InChI=1/C18H16N6O3S/c19-8-1-9-23(10-11-25)14-4-2-13(3-5-14)21-22-18-20-16-7-6-15(24(26)27)12-17(16)28-18/h2-7,12,25H,1,9-11H2


name: N-[5-(diethylamino)-2-[(2,4-dinitrophenyl)azo]phenyl]acetamide
cas: 24112-48-9
formula: C18H22N6O5
inchikey: WCUXAQAVBINHFZ-UHFFFAOYSA-N
norman_susdat_id: NS00050553
pubchem_cid: 3015172
smiles: O=C(NC1=CC(=CC=C1N=NC2=CC=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N(CC)CC)C
inchi:
InChI=1/C18H20N6O5/c1-4-22(5-2)13-6-8-15(17(10-13)19-12(3)25)20-21-16-9-7-14(23(26)27)11-18(16)24(28)29/h6-11H,4-5H2,1-3H3,(H,19,25)


name: Bis(1H,1H-perfluorobutyl)fumarate
cas: 24120-17-0
dtxsid: DTXSID90380883
formula: C12H6F14O4
inchikey: WVGOKTYQAQEHBO-UHFFFAOYSA-N
norman_susdat_id: NS00111913
smiles: FC(F)(F)C(F)(F)C(F)(F)COC(=O)C=CC(=O)OCC(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H6F14O4/c13-7(14,9(17,18)11(21,22)23)3-29-5(27)1-2-6(28)30-4-8(15,16)10(19,20)12(24,25)26/h1-2H,3-4H2


name: Bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl) (2E)-but-2-enedioate
cas: 24120-18-1
chemspiderid: 2017272
dtxsid: DTXSID10420770
formula: C20H6F30O4
inchikey: PCINQRFLHHIVBS-OWOJBTEDSA-N
norman_susdat_id: NS00018866
pubchem_cid: 5708999
inchi:
InChI=1S/C20H6F30O4/c21-7(22,9(25,26)11(29,30)13(33,34)15(37,38)17(41,42)19(45,46)47)3-53-5(51)1-2-6(52)54-4-8(23,24)10(27,28)12(31,32)14(35,36)16(39,40)18(43,44)20(48,49)50/h1-2H,3-4H2/b2-1+

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


name: 1,4-bis(1H,1H,2H,2H-Perfluorooctyl) fumarate
cas: 24120-19-2
dtxsid: DTXSID40897032
formula: C20H10F26O4
inchikey: KTDHXHZTHVKJGC-OWOJBTEDSA-N
norman_susdat_id: NS00110489
inchi:
InChI=1S/C20H10F26O4/c21-9(22,11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)43)3-5-49-7(47)1-2-8(48)50-6-4-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(44,45)46/h1-2H,3-6H2/b2-1+

smiles:
[H]C(=C([H])C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Diethyl isopropylbenzyloxymalonate
cas: 24124-03-6
chemspiderid: 81386
dtxsid: DTXSID10178845
formula: C17H24O5
inchikey: LRMLTYOJCFBKLZ-UHFFFAOYSA-N
norman_susdat_id: NS00027562
pubchem_cid: 90367
smiles: CCOC(=O)C(OCc1ccccc1)(C(C)C)C(=O)OCC
inchi:
InChI=1S/C17H24O5/c1-5-20-15(18)17(13(3)4,16(19)21-6-2)22-12-14-10-8-7-9-11-14/h7-11,13H,5-6,12H2,1-4H3


name: (Z,Z)-tributyl(octadeca-9,12-dienoyloxy)stannane
cas: 24124-25-2
dtxsid: DTXSID3047506
formula: C30H58O2Sn
inchikey: SFDCESVOFOYWTJ-YLLHCXABSA-M
norman_susdat_id: NS00051347
pubchem_cid: NA
smiles: O=C(O[Sn](CCCC)(CCCC)CCCC)CCCCCCCC=CCC=CCCCCC
inchi:
InChI=1/C18H32O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3*1-3-4-2;/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC30H58O2Sn/c1-5-9-13-14-15-16-17-18-19-20-21-22-23-24-25-26-30(31)32-33(27-10-6-2,28-11-7-3)29-12-8-4/h15-16,18-19H,5-14,17,20-29H2,1-4H3


cas: 24124-40-1
chemspiderid: 81587
dtxsid: DTXSID8074023
formula: C23H21N3O8S2
inchikey: LQWXDEOZWGMSAR-UHFFFAOYSA-N
norman_susdat_id: NS00005066
pubchem_cid: 90368
smiles: Cc1c(N)c(C)c(c(C)c1Nc1cc(c(N)c2C(=O)c3ccccc3C(=O)c12)S(O)(=O)=O)S(O)(=O)=O
name:
2-Anthracenesulfonic acid, 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulfophenyl)amino]-9,10-dihydro-9,10-dioxo-

inchi:
InChI=1S/C23H21N3O8S2/c1-9-18(24)10(2)23(36(32,33)34)11(3)20(9)26-14-8-15(35(29,30)31)19(25)17-16(14)21(27)12-6-4-5-7-13(12)22(17)28/h4-8,26H,24-25H2,1-3H3,(H,29,30,31)(H,32,33,34)


name: 4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]piperazine-1-ethanol dihydrochloride
cas: 2413-38-9
formula: C23H25F3N2OS.2ClH
inchikey: IOVDQEIIMOZNNA-UHFFFAOYSA-N
norman_susdat_id: NS00082966
smiles: Cl.Cl.FC(F)(F)c2cc3C(=CCCN1CCN(CCO)CC1)c4ccccc4Sc3cc2
inchi:
InChI=1/C23H25F3N2OS.2ClH/c24-23(25,26)17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)30-22)5-3-9-27-10-12-28(13-11-27)14-15-29;;/h1-2,4-8,16,29H,3,9-15H2;2*1H


name: Halofenate | Jnj-39659100
cas: 24136-23-0
dtxsid: DTXSID9023120
formula: C19H17ClF3NO4
inchikey: BJBCSGQLZQGGIQ-QGZVFWFLSA-N
norman_susdat_id: NS00068801
pubchem_cid: 12082259
smiles: CC(=O)NCCOC(=O)[C@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1
inchi:
InChI=1S/C19H17ClF3NO4/c1-12(25)24-9-10-27-18(26)17(13-5-7-15(20)8-6-13)28-16-4-2-3-14(11-16)19(21,22)23/h2-8,11,17H,9-10H2,1H3,(H,24,25)/t17-/m1/s1


name: Oxazolam
cas: 24143-17-7
chemspiderid: 4456
dtxsid: DTXSID5023401
formula: C18H17Cl1N2O2
inchikey: VCCZBYPHZRWKFY-XIKOKIGWSA-N
norman_susdat_id: NS00027565
pubchem_cid: 62779
smiles: C[C@@H]1CN2CC(=O)Nc3c(cc(Cl)cc3)[C@@]2(O1)c1ccccc1
inchi:
InChI=1S/C18H17ClN2O2/c1-12-10-21-11-17(22)20-16-8-7-14(19)9-15(16)18(21,23-12)13-5-3-2-4-6-13/h2-9,12H,10-11H2,1H3,(H,20,22)/t12-,18+/m1/s1


name: 9-fluoro-11ß,16a,17,21-tetrahydroxypregna-1,4-diene-3,20-dione 21-(hydrogen succinate)
cas: 241-43-2
formula: C25H31FO9
inchikey: LANLTRZXAVUOPI-UHFFFAOYSA-N
norman_susdat_id: NS00081833
smiles: CC12CC(O)C3(F)C(CCC4=CC(=O)C=CC34C)C1CC(O)C2(O)C(=O)COC(=O)CCC(=O)O
inchi:
InChI=1/C25H31FO9/c1-22-8-7-14(27)9-13(22)3-4-15-16-10-17(28)25(34,23(16,2)11-18(29)24(15,22)26)19(30)12-35-21(33)6-5-20(31)32/h7-9,15-18,28-29,34H,3-6,10-12H2,1-2H3,(H,31,32)


name: 4-Imidazolidinone, 3-heptyl-1-phenyl-2-thioxo-
cas: 24147-50-0
chemspiderid: 81592
dtxsid: DTXSID9066960
formula: C16H22N2O1S1
inchikey: KJGKVKNUHXSXOH-UHFFFAOYSA-N
norman_susdat_id: NS00027566
pubchem_cid: 90374
smiles: CCCCCCCN1C(=O)CN(C1=S)c1ccccc1
inchi:
InChI=1S/C16H22N2OS/c1-2-3-4-5-9-12-17-15(19)13-18(16(17)20)14-10-7-6-8-11-14/h6-8,10-11H,2-5,9,12-13H2,1H3


name: Isavuconazole
cas: 241479-67-4
chebiid: CHEBI:85979
dtxsid: DTXSID2058251
formula: C22H17F2N5OS
inchikey: DDFOUSQFMYRUQK-RCDICMHDSA-N
norman_susdat_id: NS00066825
pubchem_cid: 6918485
smiles: C[C@@H](C1=NC(=CS1)C1=CC=C(C=C1)C#N)[C@](O)(CN1C=NC=N1)C1=CC(F)=CC=C1F
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)18-8-17(23)6-7-19(18)24/h2-8,10,12-14,30H,11H2,1H3/t14-,22+/m0/s1


cas: 24149-26-6
dtxsid: DTXSID10946980
formula: C21H32O5
inchikey: LOONUJJGHHFUCE-UHFFFAOYSA-N
norman_susdat_id: NS00050032
pubchem_cid: 91129
smiles: O=C(C=1C(=O)C(CC=C(C)C)C(O)(C1O)C(O)CC=C(C)C)CC(C)C
name:
3,4-dihydroxy-4-(1-hydroxy-4-methylpent-3-enyl)-5-(3-methylbut-2-enyl)-2-(3-methyl-1-oxobutyl)cyclopent-2-en-1-one

inchi:
InChI=1/C21H32O5/c1-12(2)7-9-15-19(24)18(16(22)11-14(5)6)20(25)21(15,26)17(23)10-8-13(3)4/h7-8,14-15,17,23,25-26H,9-11H2,1-6H3


name: Catalpol
cas: 2415-24-9
chebiid: CHEBI:69797
chemspiderid: 3140410
dtxsid: DTXSID60178850
formula: C15H22O10
inchikey: LHDWRKICQLTVDL-PZYDOOQISA-N
norman_susdat_id: NS00027567
pubchem_cid: 91520
smiles: OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](O)[C@@H]4O[C@]4(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6-,7-,8+,9-,10+,11-,12+,13+,14+,15-/m1/s1


name: Uridylyl-(3'<U+2192>5')-uridine
cas: 2415-43-2
formula: C18H23N4O14P
inchikey: KXSPLNAXPMVUEC-UHFFFAOYSA-N
norman_susdat_id: NS00048728
pubchem_cid: 474409
smiles: O=C1C=CN(C(=O)N1)C2OC(COP(=O)(O)OC3C(O)C(OC3CO)N4C=CC(=O)NC4=O)C(O)C2O
inchi:
InChI=1/C18H23N4O14P/c23-5-7-14(13(28)16(34-7)22-4-2-10(25)20-18(22)30)36-37(31,32)33-6-8-11(26)12(27)15(35-8)21-3-1-9(24)19-17(21)29/h1-4,7-8,11-16,23,26-28H,5-6H2,(H,31,32)(H,19,24,29)(H,20,25,30)


name: Terameprocol
cas: 24150-24-1
dtxsid: DTXSID10972502
formula: C22H30O4
inchikey: ORQFDHFZSMXRLM-IYBDPMFKSA-N
norman_susdat_id: NS00071549
pubchem_cid: 476861
smiles: COc1ccc(C[C@H](C)[C@H](C)Cc2ccc(OC)c(OC)c2)cc1OC
inchi:
InChI=1S/C22H30O4/c1-15(11-17-7-9-19(23-3)21(13-17)25-5)16(2)12-18-8-10-20(24-4)22(14-18)26-6/h7-10,13-16H,11-12H2,1-6H3/t15-,16+


cas: 24151-54-0
dtxsid: DTXSID70946981
formula: C20H23ClN3O4
inchikey: GMCXTHQMFNWPNR-UHFFFAOYSA-N
norman_susdat_id: NS00050033
pubchem_cid: 16205026
smiles: N#[N+]C=1C=C(OCCOC)C(=CC1Cl)N(CC=2C=CC=CC2)CCOC(=O)C.F[B-](F)(F)F
name:
4-[[2-(acetoxy)ethyl](phenylmethyl)amino]-2-chloro-5-(2-methoxyethoxy)benzenediazonium tetrafluoroborate

inchi:
InChI=1/C20H23ClN3O4.BF4/c1-15(25)27-9-8-24(14-16-6-4-3-5-7-16)19-12-17(21)18(23-22)13-20(19)28-11-10-26-2;2-1(3,4)5/h3-7,12-13H,8-11,14H2,1-2H3;/q+1;-1


name: (Z)-7-Hexadecenoic acid
cas: 2416-19-5
chebiid: CHEBI:35465
dtxsid: DTXSID00920496
formula: C16H30O2
inchikey: PJHOFUXBXJNUAC-KTKRTIGZSA-N
norman_susdat_id: NS00096492
smiles: CCCCCCCC/C=CCCCCCC(=O)O
inchi:
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h9-10H,2-8,11-15H2,1H3,(H,17,18)/b10-9-


name: hexadecenoic acid, z-11-
cas: 2416-20-8
chebiid: CHEBI:35464
dtxsid: DTXSID00880900
formula: C16H30O2
inchikey: JGMYDQCXGIMHLL-WAYWQWQTSA-N
norman_susdat_id: NS00095822
smiles: CCCCC=C/CCCCCCCCCC(O)=O
inchi:
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h5-6H,2-4,7-15H2,1H3,(H,17,18)/b6-5-


name: 4,4'-oxydibenzyl di(acetate)
cas: 2416-40-2
dtxsid: DTXSID90946988
formula: C18H18O5
inchikey: WTAFGFANKRIOLT-UHFFFAOYSA-N
norman_susdat_id: NS00048730
pubchem_cid: 75488
smiles: O=C(OCC1=CC=C(OC2=CC=C(C=C2)COC(=O)C)C=C1)C
inchi:
InChI=1/C18H18O5/c1-13(19)21-11-15-3-7-17(8-4-15)23-18-9-5-16(6-10-18)12-22-14(2)20/h3-10H,11-12H2,1-2H3


name: Cloxazolam
cas: 24166-13-0
chebiid: CHEBI:31426
chemspiderid: 2714
dtxsid: DTXSID0022854
formula: C17H14Cl2N2O2
inchikey: ZIXNZOBDFKSQTC-UHFFFAOYSA-N
norman_susdat_id: NS00002585
pubchem_cid: 2816
smiles: OC1=Nc2ccc(Cl)cc2C2(OCCN2C1)c1ccccc1Cl
inchi:
InChI=1S/C17H14Cl2N2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)


name: 1-[2-[(4-chlorophenyl)methoxy]-2-(2,4-dichlorophenyl)ethyl]-1H-imidazolium nitrate
cas: 24169-02-6
formula: C18H15Cl3N2O.HNO3
inchikey: OKHLIYJAUVITMY-UHFFFAOYSA-O
norman_susdat_id: NS00083949
smiles: [O-][N+](=O)[O-].Clc1ccc(COC(C[n+]2cc[nH]c2)c3ccc(Cl)cc3Cl)cc1
inchi:
InChI=1/C18H15Cl3N2O.NO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;/q;-1/p+1


name: 1-Octadecanaminium, N-(carboxymethyl)-N,N-bis(2-hydroxyethyl)-, inner salt
cas: 24170-14-7
chemspiderid: 81599
dtxsid: DTXSID9066962
formula: C24H50N1O4
inchikey: QEJSCTLHIOVBLH-UHFFFAOYSA-O
norman_susdat_id: NS00013585
pubchem_cid: 90381
smiles: CCCCCCCCCCCCCCCCCC[N+](CCO)(CCO)CC([O-])=O
inchi:
InChI=1S/C24H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(19-21-26,20-22-27)23-24(28)29/h26-27H,2-23H2,1H3


name: Propanenitrile, 3-[(2-hydroxyethyl)[4-[[6-(methylsulfonyl)-2-benzothiazolyl]azo]phenyl]amino]-
cas: 24170-48-7
chemspiderid: 81600
dtxsid: DTXSID4066963
formula: C19H19N5O3S2
inchikey: ZDFGMUPYJLPKGD-UHFFFAOYSA-N
norman_susdat_id: NS00027577
pubchem_cid: 90382
smiles: CS(=O)(=O)c1ccc2nc(sc2c1)N=Nc1ccc(cc1)N(CCO)CCC#N
inchi:
InChI=1S/C19H19N5O3S2/c1-29(26,27)16-7-8-17-18(13-16)28-19(21-17)23-22-14-3-5-15(6-4-14)24(11-12-25)10-2-9-20/h3-8,13,25H,2,10-12H2,1H3/b23-22+


name: Acetamide, N-[2-[(2-cyano-4,6-dinitrophenyl)azo]-5-(diethylamino)phenyl]-
cas: 24170-60-3
chemspiderid: 21172935
dtxsid: DTXSID9066964
formula: C19H19N7O5
inchikey: NHBNDXGKNAEBAI-UHFFFAOYSA-N
norman_susdat_id: NS00019964
pubchem_cid: 90383
smiles: CCN(CC)c1cc(NC(=O)C)c(cc1)N=Nc1c(cc(cc1C#N)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C19H19N7O5/c1-4-24(5-2)14-6-7-16(17(9-14)21-12(3)27)22-23-19-13(11-20)8-15(25(28)29)10-18(19)26(30)31/h6-10H,4-5H2,1-3H3,(H,21,27)/b23-22+


name: Aluminium tris[2-[[3-(trifluoromethyl)phenyl]amino]nicotinate]
cas: 24175-05-1
formula: C13H9F3N2O2.1/3Al
inchikey: STHLDTVJWHYDBL-UHFFFAOYSA-K
norman_susdat_id: NS00084238
inchi:
InChI=1/3C13H9F3N2O2.Al/c3*14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11;/h3*1-7H,(H,17,18)(H,19,20);/q;;;+3/p-3

smiles:
[Al+3].[O-]C(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F.[O-]C(=O)c3cccnc3Nc4cccc(c4)C(F)(F)F.[O-]C(=O)c5cccnc5Nc6cccc(c6)C(F)(F)F


name: Ergosta-5,7,22-trien-3-ß-yl acetate
cas: 2418-45-3
formula: C30H46O2
inchikey: NGEVNHYPVVOXPB-RZZBNZQCSA-N
norman_susdat_id: NS00048003
pubchem_cid: 6436903
smiles: O=C(OC1CC2=CC=C3C(CCC4(C)C3CCC4C(C=CC(C)C(C)C)C)C2(C)CC1)C
inchi:
InChI=1/C30H46O2/c1-19(2)20(3)8-9-21(4)26-12-13-27-25-11-10-23-18-24(32-22(5)31)14-16-29(23,6)28(25)15-17-30(26,27)7/h8-11,19-21,24,26-28H,12-18H2,1-7H3


name: 4-benzyl hydrogen N-[(2-nitrophenyl)thio]-L-aspartate, compound with dicyclohexylamine (1:1)
cas: 2418-90-8
dtxsid: DTXSID90178888
formula: C17H17N2O6S
inchikey: AANMHCRRPDNWHF-ZOWNYOTGSA-N
norman_susdat_id: NS00048731
pubchem_cid: 20841573
smiles: O=C(OCC=1C=CC=CC1)CC(NSC=2C=CC=CC2[N+](=O)[O-])C(=O)O.N(C1CCCCC1)C2CCCCC2
inchi:
InChI=1/C17H16N2O6S.C12H23N/c20-16(25-11-12-6-2-1-3-7-12)10-13(17(21)22)18-26-15-9-5-4-8-14(15)19(23)24;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-9,13,18H,10-11H2,(H,21,22);11-13H,1-10H2


name: Strychnidine-10,11-dione, 11-oxime, monohydrochloride
cas: 24180-58-3
dtxsid: DTXSID00946999
formula: C21H21N3O3
inchikey: KNQCFZQEDQZUJM-XOFUHLMYSA-N
norman_susdat_id: NS00050564
pubchem_cid: NA
smiles: Cl.O=C1C(=NO)C2OCC=C3CN4CCC56C=7C=CC=CC7N1C6C2C3CC45
inchi:
InChI=1/C21H21N3O3.ClH/c25-20-17(22-26)18-16-12-9-15-21(6-7-23(15)10-11(12)5-8-27-18)13-3-1-2-4-14(13)24(20)19(16)21;/h1-5,12,15-16,18-19,26H,6-10H2;1H


name: Tris(4-tert-butylphenyl)sulfonium
cas: 241806-75-7
chemspiderid: 4229250
dtxsid: DTXSID10904000
formula: C30H39S
inchikey: ZMOJTPABCOWEOS-UHFFFAOYSA-N
norman_susdat_id: NS00112265
pubchem_cid: 5051737
smiles: CC(C)(C)C1=CC=C(C=C1)[S+](C1=CC=C(C=C1)C(C)(C)C)C1=CC=C(C=C1)C(C)(C)C
inchi:
InChI=1S/C30H39S/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9/h10-21H,1-9H3/q+1


name: (S)-1,3-dihydro-a-(2-methylpropyl)-1,3-dioxo-2H-isoindole-2-acetic acid
cas: 2419-38-7
dtxsid: DTXSID40947006
formula: C14H15NO4
inchikey: RMOSZIHTPMEZAP-NSHDSACASA-N
norman_susdat_id: NS00048732
pubchem_cid: 688554
smiles: O=C(O)C(N1C(=O)C=2C=CC=CC2C1=O)CC(C)C
inchi:
InChI=1/C14H15NO4/c1-8(2)7-11(14(18)19)15-12(16)9-5-3-4-6-10(9)13(15)17/h3-6,8,11H,7H2,1-2H3,(H,18,19)


name: N,N',N''-tris(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
cas: 2420-27-1
dtxsid: DTXSID70947014
formula: C9H18N6O3
inchikey: CZFJRMBYCKMYHU-UHFFFAOYSA-N
norman_susdat_id: NS00048037
pubchem_cid: 75492
smiles: N=1C(=NC(=NC1NCOC)NCOC)NCOC
inchi:
InChI=1/C9H18N6O3/c1-16-4-10-7-13-8(11-5-17-2)15-9(14-7)12-6-18-3/h4-6H2,1-3H3,(H3,10,11,12,13,14,15)


name: C18 Alcohol, predominately linear, 6 EO
cas: 2420-29-3
chemspiderid: 68022
dtxsid: DTXSID5062398
formula: C30H62O7
inchikey: BGTZEQVWUZNMIY-UHFFFAOYSA-N
norman_susdat_id: NS00095679
pubchem_cid: 75493
smiles: OCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C30H62O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-32-21-23-34-25-27-36-29-30-37-28-26-35-24-22-33-20-18-31/h31H,2-30H2,1H3


name: trans-10,cis-12-Conjugated linoleic acid
cas: 2420-56-6
chebiid: CHEBI:44526
chemspiderid: 4508489
dtxsid: DTXSID0040628
formula: C18H32O2
inchikey: GKJZMAHZJGSBKD-NMMTYZSQSA-N
norman_susdat_id: NS00027586
pubchem_cid: 5282800
smiles: CCCCC/C=CC=CCCCCCCCCC(=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/h6-9H,2-5,10-17H2,1H3,(H,19,20)/b7-6-,9-8+


cas: 24209-38-9
formula: C10H12N6O3S2
inchikey: XUTQHTOXGKVJPN-XNCJUZBTSA-N
norman_susdat_id: NS00051044
pubchem_cid: NA
smiles: O=C(O)C1=C(CSC2=NN=NN2C)CSC3N1C(=O)C3N
name:
(6R-trans)-7-amino-3-[[(1-methyl-1H-tetrazol-5-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

inchi:
InChI=1/C10H12N6O3S2/c1-15-10(12-13-14-15)21-3-4-2-20-8-5(11)7(17)16(8)6(4)9(18)19/h5,8H,2-3,11H2,1H3,(H,18,19)


cas: 24209-43-6
formula: C10H10N4O3S3
inchikey: OBZPELDGSNYFTD-XNCJUZBTSA-N
norman_susdat_id: NS00051045
pubchem_cid: 91137
smiles: O=C(O)C1=C(CSC2=NN=CS2)CSC3N1C(=O)C3N
name:
(6R-trans)-7-amino-8-oxo-3-[(1,3,4-thiadiazol-2-ylthio)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

inchi:
InChI=1/C10H10N4O3S3/c11-5-7(15)14-6(9(16)17)4(1-18-8(5)14)2-19-10-13-12-3-20-10/h3,5,8H,1-2,11H2,(H,16,17)


name: (S)-2,3-dihydro-5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4-benzopyrone
cas: 24211-30-1
dtxsid: DTXSID40947026
formula: C17H16O5
inchikey: DYHOLQACRGJEHX-UHFFFAOYSA-N
norman_susdat_id: NS00051046
pubchem_cid: 91144
smiles: O=C1C=2C(O)=C(C(O)=C(C2OC(C3=CC=C(O)C=C3)C1)C)C
inchi:
InChI=1/C17H16O5/c1-8-15(20)9(2)17-14(16(8)21)12(19)7-13(22-17)10-3-5-11(18)6-4-10/h3-6,13,18,20-21H,7H2,1-2H3


name: 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Icosafluoro-12-iodo-2-(trifluoromethyl)dodecane
cas: 242142-80-9
dtxsid: DTXSID00896324
formula: C13H4F23I
inchikey: HDJVNLHEEQBBJS-UHFFFAOYSA-N
norman_susdat_id: NS00109047
smiles: FC(F)(F)C(F)(C(F)(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)CCI
inchi:
InChI=1S/C13H4F23I/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/h1-2H2


name: 1h,1h-perfluorooctadecan-1-ol
cas: 242142-82-1
dtxsid: DTXSID30379938
formula: C18H3F35O
inchikey: FRVXTIVSYJQTRB-UHFFFAOYSA-N
norman_susdat_id: NS00109860
inchi:
InChI=1S/C18H3F35O/c19-2(20,1-54)3(21,22)4(23,24)5(25,26)6(27,28)7(29,30)8(31,32)9(33,34)10(35,36)11(37,38)12(39,40)13(41,42)14(43,44)15(45,46)16(47,48)17(49,50)18(51,52)53/h54H,1H2

smiles:
OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: 3,4-Bis((perfluoro-1-oxooctyl)amino)benzenesulfonyl chloride
cas: 24216-05-5
chemspiderid: 2283363
dtxsid: DTXSID20178912
formula: C22H5Cl1F30N2O4S1
inchikey: PEVCFUGKAIGEMQ-UHFFFAOYSA-N
norman_susdat_id: NS00018867
pubchem_cid: 3015173
inchi:
InChI=1S/C22H5ClF30N2O4S/c23-60(58,59)4-1-2-5(54-7(56)9(24,25)11(28,29)13(32,33)15(36,37)17(40,41)19(44,45)21(48,49)50)6(3-4)55-8(57)10(26,27)12(30,31)14(34,35)16(38,39)18(42,43)20(46,47)22(51,52)53/h1-3H,(H,54,56)(H,55,57)

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NC1=C(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C(C=C1)S(Cl)(=O)=O


name: 1-[2-[N-ethyl-p-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]anilino]ethyl]pyridinium chloride
cas: 24219-23-6
dtxsid: DTXSID60885259
formula: C23H23N6S
inchikey: RAJUOBWEWIXUMN-UHFFFAOYSA-M
norman_susdat_id: NS00051035
pubchem_cid: 90413
smiles: [Cl-].N(=NC1=CC=C(C=C1)N(CC)CC[N+]=2C=CC=CC2)C3=NC(=NS3)C=4C=CC=CC4
inchi:
InChI=1/C23H23N6S.ClH/c1-2-29(18-17-28-15-7-4-8-16-28)21-13-11-20(12-14-21)25-26-23-24-22(27-30-23)19-9-5-3-6-10-19;/h3-16H,2,17-18H2,1H3;1H/q+1;/p-1


name: Dioctylmagnesium
cas: 24219-37-2
formula: C16H34Mg
inchikey: QYDCSHQWDCFHOQ-UHFFFAOYSA-N
norman_susdat_id: NS00084528
smiles: CCCCCCCC[Mg]CCCCCCCC
inchi:
InChI=1/2C8H17.Mg/c2*1-3-5-7-8-6-4-2;/h2*1,3-8H2,2H3;/rC16H34Mg/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3-16H2,1-2H3


name: Mianserin
cas: 24219-97-4
chebiid: CHEBI:51137
chemspiderid: 4040
dtxsid: DTXSID6023317
formula: C18H20N2
inchikey: UEQUQVLFIPOEMF-UHFFFAOYSA-N
norman_susdat_id: NS00010650
pubchem_cid: 4184
smiles: CN1CCN2c3ccccc3Cc4ccccc4C2C1
inchi:
InChI=1S/C18H20N2/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19/h2-9,18H,10-13H2,1H3


name: Benzene, 1,1',1''-methylidynetris[4-isocyanato-
cas: 2422-91-5
chemspiderid: 68028
dtxsid: DTXSID7062401
formula: C22H13N3O3
inchikey: LTIKIBFTASQKMM-UHFFFAOYSA-N
norman_susdat_id: NS00005493
pubchem_cid: 75500
smiles: O=C=Nc1ccc(cc1)C(c1ccc(cc1)N=C=O)c1ccc(cc1)N=C=O
inchi:
InChI=1S/C22H13N3O3/c26-13-23-19-7-1-16(2-8-19)22(17-3-9-20(10-4-17)24-14-27)18-5-11-21(12-6-18)25-15-28/h1-12,22H


cas: 24221-19-0
dtxsid: DTXSID70947039
formula: C26H23N3O9S2
inchikey: JGYGXICGUODKQB-UHFFFAOYSA-M
norman_susdat_id: NS00051036
pubchem_cid: NA
name:
Sodium hydrogen 5-[[2-[4-[[4-(dimethylamino)phenyl]methylene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-4-sulphonatophenyl]sulphonyl]salicylate

inchi:
InChI=1/C26H23N3O9S2.Na.H2/c1-15-20(12-16-4-6-17(7-5-16)28(2)3)25(31)29(27-15)22-14-19(40(36,37)38)9-11-24(22)39(34,35)18-8-10-23(30)21(13-18)26(32)33;;/h4-14,30H,1-3H3,(H,32,33)(H,36,37,38);;1H/q;2*+1/p-2

smiles:
[H+].[Na+].O=C([O-])C1=CC(=CC=C1O)S(=O)(=O)C2=CC=C(C=C2N3N=C(C(=CC4=CC=C(C=C4)N(C)C)C3=O)C)S(=O)(=O)[O-]


name: 4,4'-Bis(2-anilino-4-morpholino-s-triazin-6-ylamino)stilbene-2,2'-disulfonic acid (Tinopal)
cas: 24231-46-7
chemspiderid: 4679133
dtxsid: DTXSID8066971
formula: C40H40N12O8S2
inchikey: YGUMVDWOQQJBGA-VAWYXSNFSA-N
norman_susdat_id: NS00001329
pubchem_cid: 5750263
inchi:
InChI=1S/C40H40N12O8S2/c53-61(54,55)33-25-31(43-37-45-35(41-29-7-3-1-4-8-29)47-39(49-37)51-17-21-59-22-18-51)15-13-27(33)11-12-28-14-16-32(26-34(28)62(56,57)58)44-38-46-36(42-30-9-5-2-6-10-30)48-40(50-38)52-19-23-60-24-20-52/h1-16,25-26H,17-24H2,(H,53,54,55)(H,56,57,58)(H2,41,43,45,47,49)(H2,42,44,46,48,50)/b12-11+

smiles:
OS(=O)(=O)C1=C(C=CC2=C(C=C(NC3=NC(NC4=CC=CC=C4)=NC(=N3)N3CCOCC3)C=C2)S(O)(=O)=O)C=CC(NC2=NC(NC3=CC=CC=C3)=NC(=N2)N2CCOCC2)=C1


name: 3,6,9,12,15,18,21,24-Octaoxatetratriacontan-1-ol
cas: 24233-81-6
chemspiderid: 147095
dtxsid: DTXSID3075208
formula: C26H54O9
inchikey: UJMHIOBAHVUDGS-UHFFFAOYSA-N
norman_susdat_id: NS00021910
pubchem_cid: 168163
smiles: CCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C26H54O9/c1-2-3-4-5-6-7-8-9-11-28-13-15-30-17-19-32-21-23-34-25-26-35-24-22-33-20-18-31-16-14-29-12-10-27/h27H,2-26H2,1H3


name: Tinoridine
cas: 24237-54-5
chebiid: CHEBI:135353
chemspiderid: 5280
dtxsid: DTXSID9023677
formula: C17H20N2O2S1
inchikey: PFENFDGYVLAFBR-UHFFFAOYSA-N
norman_susdat_id: NS00027593
pubchem_cid: 5480
smiles: CCOC(=O)c1c(N)sc2c1CCN(Cc1ccccc1)C2
inchi:
InChI=1S/C17H20N2O2S/c1-2-21-17(20)15-13-8-9-19(11-14(13)22-16(15)18)10-12-6-4-3-5-7-12/h3-7H,2,8-11,18H2,1H3


name: Ethyl 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate hydrochloride
cas: 24237-55-6
chebiid: CHEBI:32228
formula: C17H20N2O2S.xClH
inchikey: LMAQHEGFQZGATE-UHFFFAOYSA-N
norman_susdat_id: NS00084244
smiles: Cl.CCOC(=O)c1c(N)sc2CN(Cc3ccccc3)CCc12
inchi:
InChI=1/C17H20N2O2S.ClH/c1-2-21-17(20)15-13-8-9-19(11-14(13)22-16(15)18)10-12-6-4-3-5-7-12;/h3-7H,2,8-11,18H2,1H3;1H


name: Tetrasodium 4,4'-bis[4-(p-sulphonatophenyl)-2H-1,2,3-triazol-2-yl]stilbene-2,2'-disulphonate
cas: 24239-35-8
dtxsid: DTXSID70889687
formula: C30H22N6O12S4
inchikey: BUZGSYSEJPGACH-MBCFVHIPSA-J
norman_susdat_id: NS00051096
pubchem_cid: 6440972
inchi:
InChI=1/C30H22N6O12S4.4Na/c37-49(38,39)25-11-5-19(6-12-25)27-17-31-35(33-27)23-9-3-21(29(15-23)51(43,44)45)1-2-22-4-10-24(16-30(22)52(46,47)48)36-32-18-28(34-36)20-7-13-26(14-8-20)50(40,41)42;;;;/h1-18H,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C=C1)C2=NN(N=C2)C3=CC=C(C=CC4=CC=C(C=C4S(=O)(=O)[O-])N5N=CC(=N5)C6=CC=C(C=C6)S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-]


name: 2-Butenedioic acid (2Z)-, monododecyl ester
cas: 2424-61-5
chemspiderid: 4517963
dtxsid: DTXSID7062405
formula: C16H28O4
inchikey: IIPCXIGUIPAGQB-UHFFFAOYSA-N
norman_susdat_id: NS00027596
pubchem_cid: 102262
smiles: CCCCCCCCCCCCOC(=O)/C=C/C(=O)O
inchi:
InChI=1S/C16H28O4/c1-2-3-4-5-6-7-8-9-10-11-14-20-16(19)13-12-15(17)18/h12-13H,2-11,14H2,1H3,(H,17,18)/b13-12+


name: 2-Butenedioic acid (2Z)-, monooctadecyl ester
cas: 2424-62-6
chemspiderid: 4941511
dtxsid: DTXSID2062406
formula: C22H40O4
inchikey: MHQJUHSHQGQVTM-UHFFFAOYSA-N
norman_susdat_id: NS00027597
pubchem_cid: 61324
smiles: CCCCCCCCCCCCCCCCCCOC(=O)/C=CC(=O)O
inchi:
InChI=1S/C22H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-22(25)19-18-21(23)24/h18-19H,2-17,20H2,1H3,(H,23,24)/b19-18-


name: Tymazoline
cas: 24243-97-8
chebiid: CHEBI:134947
dtxsid: DTXSID40178939
formula: C14H20N2O
inchikey: QRORCRWSRPKEHR-UHFFFAOYSA-N
norman_susdat_id: NS00068084
pubchem_cid: 34154
smiles: Cc1ccc(C(C)C)c(OCC2=NCCN2)c1
inchi:
InChI=1S/C14H20N2O/c1-10(2)12-5-4-11(3)8-13(12)17-9-14-15-6-7-16-14/h4-5,8,10H,6-7,9H2,1-3H3,(H,15,16)


name: solifenacin
cas: 242478-37-1
chemspiderid: 8060993
formula: C23H26N2O2
inchikey: FBOUYBDGKBSUES-UHFFFAOYSA-N
norman_susdat_id: NS00001978
pubchem_cid: 9885319
smiles: O=C(OC1CN2CCC1CC2)N1CCc2ccccc2C1c1ccccc1
inchi:
InChI=1S/C23H26N2O2/c26-23(27-21-16-24-13-10-18(21)11-14-24)25-15-12-17-6-4-5-9-20(17)22(25)19-7-2-1-3-8-19/h1-9,18,21-22H,10-16H2


name: C.I. Pigment Red 3
cas: 2425-85-6
dtxsid: DTXSID8021226
formula: C17H14N3O3
inchikey: ZLFVRXUOSPRRKQ-UHFFFAOYSA-N
norman_susdat_id: NS00047369
pubchem_cid: 17047
smiles: O=[N+]([O-])C1=CC(=CC=C1N=NC2=C(O)C=CC=3C=CC=CC32)C
inchi:
InChI=1/C17H13N3O3/c1-11-6-8-14(15(10-11)20(22)23)18-19-17-13-5-3-2-4-12(13)7-9-16(17)21/h2-10,21H,1H3


cas: 24256-56-2
formula: C20H18CrN4O11S2.Na
inchikey: RYXLALMZSDKMNH-UHFFFAOYSA-K
norman_susdat_id: NS00084551
smiles: CC1=NN2C(=O)C1([Na])N=Nc3c4O[Cr](OS(=O)(=O)c5cccc2c5)OS(=O)(=O)c(c4)c6ccccc36
name:
Monosodium triaqua[[hydrogen -3-hydroxy-4-[[5-hydroxy-3-methyl-1-(m-sulphophenyl)pyrazol-4-yl]azo]naphthalene-1-sulphonato](3-)]chromium

inchi:
InChI=1/C20H15N4O8S2.Cr.Na/c1-11-18(20(26)24(23-11)12-5-4-6-13(9-12)33(27,28)29)21-22-19-15-8-3-2-7-14(15)17(10-16(19)25)34(30,31)32;;/h2-10,25H,1H3,(H,27,28,29)(H,30,31,32);;/q;+3;/p-3/rC20H12CrN4NaO8S2/c1-11-20(26)19(27)25(23-11)12-5-4-6-13(9-12)35(28,29)33-21-32-16-10-17(36(30,31)34-21)14-7-2-3-8-15(14)18(16)22-24-20/h2-10H,1H3


name: Stearyl behenate
cas: 24271-12-3
chemspiderid: 81650
dtxsid: DTXSID3066974
formula: C40H80O2
inchikey: GAQPWOABOQGPKA-UHFFFAOYSA-N
norman_susdat_id: NS00014121
pubchem_cid: 90435
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C40H80O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(41)42-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3


name: Cannabidivarin
cas: 24274-48-4
dtxsid: DTXSID70893921
formula: C19H26O2
inchikey: REOZWEGFPHTFEI-JKSUJKDBSA-N
norman_susdat_id: NS00070045
pubchem_cid: 11601669
smiles: C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCC)cc1O
inchi:
InChI=1S/C19H26O2/c1-5-6-14-10-17(20)19(18(21)11-14)16-9-13(4)7-8-15(16)12(2)3/h9-11,15-16,20-21H,2,5-8H2,1,3-4H3/t15-,16+/m0/s1


name: Mycophenolic acid
cas: 24280-93-1
chebiid: CHEBI:168396
chemspiderid: 393865
dtxsid: DTXSID4041070
formula: C17H20O6
inchikey: HPNSFSBZBAHARI-RUDMXATFSA-N
norman_susdat_id: NS00000399
pubchem_cid: 446541
smiles: c12c(c(c(CC=C(CCC(O)=O)C)c(c1C)OC)O)C(=O)OC2
inchi:
InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+


name: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylpropanoate
cas: 242812-05-1
dtxsid: DTXSID00379980
formula: C12H11F13O2
inchikey: VEAHUEAEPJJBDN-UHFFFAOYSA-N
norman_susdat_id: NS00108794
smiles: CC(C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H11F13O2/c1-5(2)6(26)27-4-3-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h5H,3-4H2,1-2H3


cas: 2429-70-1
formula: C32H23N5O7S2
inchikey: ZWYHVBGOBINPHN-UHFFFAOYSA-L
norman_susdat_id: NS00048793
pubchem_cid: 134542
name:
Disodium 4-amino-3-[[4'-[(1-hydroxy-4-sulphonato-2-naphthyl)azo][1,1'-biphenyl]-4-yl]azo]naphthalene-1-sulphonate

inchi:
InChI=1/C32H23N5O7S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)36-34-21-13-9-19(10-14-21)20-11-15-22(16-12-20)35-37-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)38;;/h1-18,38H,33H2,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(N=NC=2C=CC(=CC2)C3=CC=C(N=NC=4C=C(C=5C=CC=CC5C4N)S(=O)(=O)[O-])C=C3)=C(O)C=6C=CC=CC61


cas: 2429-71-2
dtxsid: DTXSID6025193
formula: C34H26N4O10S2
inchikey: ACPKAJPNUOBWGE-UHFFFAOYSA-L
norman_susdat_id: NS00048122
pubchem_cid: 17056
name:
Disodium 3,3'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis(4-hydroxynaphthalene-1-sulphonate)

inchi:
InChI=1/C34H26N4O10S2.2Na/c1-47-29-15-19(11-13-25(29)35-37-27-17-31(49(41,42)43)21-7-3-5-9-23(21)33(27)39)20-12-14-26(30(16-20)48-2)36-38-28-18-32(50(44,45)46)22-8-4-6-10-24(22)34(28)40;;/h3-18,39-40H,1-2H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(N=NC=2C=CC(=CC2OC)C3=CC=C(N=NC=4C=C(C=5C=CC=CC5C4O)S(=O)(=O)[O-])C(OC)=C3)=C(O)C=6C=CC=CC61


cas: 2429-72-3
formula: C34H27N5O8S2
inchikey: CWVISFDXEWCPPS-UHFFFAOYSA-L
norman_susdat_id: NS00048062
pubchem_cid: 134544
name:
Disodium 3-[[4'-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-3,3'-dimethyl[1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-1-sulphonate

inchi:
InChI=1/C34H27N5O8S2.2Na/c1-18-13-20(7-11-27(18)36-38-29-17-30(48(42,43)44)25-5-3-4-6-26(25)33(29)40)21-8-12-28(19(2)14-21)37-39-32-31(49(45,46)47)16-22-15-23(35)9-10-24(22)34(32)41;;/h3-17,40-41H,35H2,1-2H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=C2C=C(N)C=CC2=C(O)C1N=NC3=CC=C(C=C3C)C4=CC=C(N=NC=5C=C(C=6C=CC=CC6C5O)S(=O)(=O)[O-])C(=C4)C


cas: 2429-73-4
dtxsid: DTXSID6025191
formula: C32H24N6O11S3
inchikey: FKVXIGHJGBQFIH-UHFFFAOYSA-K
norman_susdat_id: NS00047371
pubchem_cid: 17058
name:
Trisodium 5-amino-3-[[4'-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo][1,1'-biphenyl]-4-yl]azo]-4-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C32H24N6O11S3.3Na/c33-20-6-1-18-12-26(51(44,45)46)29(31(39)24(18)14-20)37-35-21-7-2-16(3-8-21)17-4-9-22(10-5-17)36-38-30-27(52(47,48)49)13-19-11-23(50(41,42)43)15-25(34)28(19)32(30)40;;;/h1-15,39-40H,33-34H2,(H,41,42,43)(H,44,45,46)(H,47,48,49);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=C(N)C=2C(C1)=CC(=C(N=NC3=CC=C(C=C3)C4=CC=C(N=NC5=C(O)C6=CC(N)=CC=C6C=C5S(=O)(=O)[O-])C=C4)C2O)S(=O)(=O)[O-]


name: C.I. Direct Blue 15
cas: 2429-74-5
chemspiderid: 17214997
dtxsid: DTXSID7020186
formula: C34H28N6O16S4
inchikey: OLSOUGWNONTDCK-MCOZZWBDSA-J
norman_susdat_id: NS00020609
pubchem_cid: NA
inchi:
InChI=1S/C34H28N6O16S4/c1-55-25-9-15(3-5-23(25)37-39-31-27(59(49,50)51)11-17-7-19(57(43,44)45)13-21(35)29(17)33(31)41)16-4-6-24(26(10-16)56-2)38-40-32-28(60(52,53)54)12-18-8-20(58(46,47)48)14-22(36)30(18)34(32)42/h3-14,37-38H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)/b39-31+,40-32+

smiles:
[Na+].[Na+].[Na+].[Na+].COc1c(N/N=C2/C(=O)c3c(cc(cc3N)S(=O)(=O)[O-])C=C2S(=O)(=O)[O-])ccc(c1)c1cc(OC)c(N/N=C2/C(=O)c3c(cc(cc3N)S(=O)(=O)[O-])C=C2S(=O)(=O)[O-])cc1


cas: 2429-76-7
dtxsid: DTXSID60889454
formula: C34H32N6O10S2
inchikey: BASONKABNAOEDG-UHFFFAOYSA-L
norman_susdat_id: NS00047591
pubchem_cid: 102814
name:
Disodium 5,5'-dimethyl-4,4'-bis[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo][1,1'-biphenyl]-2,2'-disulphonate

inchi:
InChI=1/C34H32N6O10S2.2Na/c1-19-15-25(29(51(45,46)47)17-27(19)37-39-31(21(3)41)33(43)35-23-11-7-5-8-12-23)26-16-20(2)28(18-30(26)52(48,49)50)38-40-32(22(4)42)34(44)36-24-13-9-6-10-14-24;;/h5-18,31-32H,1-4H3,(H,35,43)(H,36,44)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC=1C=CC=CC1)C(N=NC=2C=C(C(=CC2C)C3=CC(=C(N=NC(C(=O)NC=4C=CC=CC4)C(=O)C)C=C3S(=O)(=O)[O-])C)S(=O)(=O)[O-])C(=O)C


name: Disodium 5-[[4'-[(1-amino-4-sulphonato-2-naphthyl)azo][1,1'-biphenyl]-4-yl]azo]salicylate
cas: 2429-79-0
dtxsid: DTXSID6062412
formula: C29H21N5O6S
inchikey: RBOUZBUAZMPIJV-UHFFFAOYSA-L
norman_susdat_id: NS00047592
pubchem_cid: NA
inchi:
InChI=1/C29H21N5O6S.2Na/c30-28-23-4-2-1-3-22(23)27(41(38,39)40)16-25(28)34-32-20-11-7-18(8-12-20)17-5-9-19(10-6-17)31-33-21-13-14-26(35)24(15-21)29(36)37;;/h1-16,35H,30H2,(H,36,37)(H,38,39,40);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC=2C=CC(=CC2)C3=CC=C(N=NC=4C=C(C=5C=CC=CC5C4N)S(=O)(=O)[O-])C=C3)=CC=C1O


cas: 2429-80-3
formula: C35H27N5O9S3
inchikey: NJXPQVNXQNPYRT-UHFFFAOYSA-L
norman_susdat_id: NS00046854
pubchem_cid: 17063
name:
Disodium 3-amino-4-[[4'-[[4-[[(p-tolyl)sulphonyl]oxy]phenyl]azo][1,1'-biphenyl]-4-yl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C35H27N5O9S3.2Na/c1-22-2-16-30(17-3-22)52(47,48)49-29-14-12-28(13-15-29)38-37-26-8-4-23(5-9-26)24-6-10-27(11-7-24)39-40-35-32-19-18-31(50(41,42)43)20-25(32)21-33(34(35)36)51(44,45)46;;/h2-21H,36H2,1H3,(H,41,42,43)(H,44,45,46);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(C1)=CC(=C(N)C2N=NC3=CC=C(C=C3)C4=CC=C(N=NC5=CC=C(OS(=O)(=O)C6=CC=C(C=C6)C)C=C5)C=C4)S(=O)(=O)[O-]


name: Disodium 5-[[4'-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo][1,1'-biphenyl]-4-yl]azo]salicylate
cas: 2429-82-5
dtxsid: DTXSID6025199
formula: C29H21N5O7S
inchikey: CXAVOCVLMJULES-UHFFFAOYSA-L
norman_susdat_id: NS00048236
pubchem_cid: 17068
inchi:
InChI=1/C29H21N5O7S.2Na/c30-19-6-1-18-13-26(42(39,40)41)27(28(36)23(18)14-19)34-32-21-9-4-17(5-10-21)16-2-7-20(8-3-16)31-33-22-11-12-25(35)24(15-22)29(37)38;;/h1-15,35-36H,30H2,(H,37,38)(H,39,40,41);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC=2C=CC(=CC2)C3=CC=C(N=NC4=C(O)C5=CC(N)=CC=C5C=C4S(=O)(=O)[O-])C=C3)=CC=C1O


name: C.I. Direct Black 4, disodium salt
cas: 2429-83-6
dtxsid: DTXSID1062413
formula: C35H29N9O7S2
inchikey: LWPZXDCHPRMLBN-UHFFFAOYSA-L
norman_susdat_id: NS00047582
pubchem_cid: 135416713
inchi:
InChI=1/C35H29N9O7S2.2Na/c1-19-15-28(27(37)18-26(19)36)42-39-24-11-7-20(8-12-24)21-9-13-25(14-10-21)41-43-33-29(52(46,47)48)16-22-17-30(53(49,50)51)34(35(45)31(22)32(33)38)44-40-23-5-3-2-4-6-23;;/h2-18,45H,36-38H2,1H3,(H,46,47,48)(H,49,50,51);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(C=C3)C=4C=CC(N=NC=5C=C(C(N)=CC5N)C)=CC4)C(N)=C2C(O)=C1N=NC=6C=CC=CC6)S(=O)(=O)[O-]


name: Disodium 5-[[4'-[(2-amino-8-hydroxy-6-sulphonato-1-naphthyl)azo][1,1'-biphenyl]-4-yl]azo]salicylate
cas: 2429-84-7
dtxsid: DTXSID6062414
formula: C29H21N5O7S
inchikey: YCMOBGSVZYLYBZ-UHFFFAOYSA-L
norman_susdat_id: NS00048237
pubchem_cid: 75510
inchi:
InChI=1/C29H21N5O7S.2Na/c30-24-11-5-18-13-22(42(39,40)41)15-26(36)27(18)28(24)34-32-20-8-3-17(4-9-20)16-1-6-19(7-2-16)31-33-21-10-12-25(35)23(14-21)29(37)38;;/h1-15,35-36H,30H2,(H,37,38)(H,39,40,41);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2)C3=CC=C(N=NC4=C(N)C=CC5=CC(=CC(O)=C54)S(=O)(=O)[O-])C=C3)=CC=C1O


name: [isopropylidenebis(p-phenyleneoxy)]bis[tributylstannane]
cas: 24291-51-8
dtxsid: DTXSID10179019
formula: C39H68O2Sn2
inchikey: TUEGQGMTVUFBHZ-UHFFFAOYSA-L
norman_susdat_id: NS00050629
pubchem_cid: 16684049
smiles: O(C1=CC=C(C=C1)C(C2=CC=C(O[Sn](CCCC)(CCCC)CCCC)C=C2)(C)C)[Sn](CCCC)(CCCC)CCCC
inchi:
InChI=1/C15H16O2.6C4H9.2Sn/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;6*1-3-4-2;;/h3-10,16-17H,1-2H3;6*1,3-4H2,2H3;;/q;;;;;;;2*+1/p-2/rC39H68O2Sn2/c1-9-15-29-42(30-16-10-2,31-17-11-3)40-37-25-21-35(22-26-37)39(7,8)36-23-27-38(28-24-36)41-43(32-18-12-4,33-19-13-5)34-20-14-6/h21-28H,9-20,29-34H2,1-8H3


name: [R-(R*,R*)]-2-[2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propoxy]-2-oxoethyl stearate
cas: 24292-47-5
dtxsid: DTXSID00947128
formula: C31H48Cl2N2O8
inchikey: QEFDFGVDVZTFAK-UHFFFAOYSA-N
norman_susdat_id: NS00050630
pubchem_cid: NA
smiles: O=C(OCC(NC(=O)C(Cl)Cl)C(O)C1=CC=C(C=C1)N(=O)=O)COC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C31H48Cl2N2O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(36)43-23-28(37)42-22-26(34-31(39)30(32)33)29(38)24-18-20-25(21-19-24)35(40)41/h18-21,26,29-30,38H,2-17,22-23H2,1H3,(H,34,39)


cas: 24292-52-2
dtxsid: DTXSID90885262
formula: C29H36O15
inchikey: FDHNLHLOJLLXDH-YQKWYTHGSA-N
norman_susdat_id: NS00050631
pubchem_cid: 3769539
smiles: O=C(C=CC1=CC=C(OC)C(O)=C1)C2=C(O)C=C(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)C=C2OC
name:
1-[4-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-2-hydroxy-6-methoxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)prop-2-en-1-one

inchi:
InChI=1/C29H36O15/c1-12-22(33)24(35)26(37)28(42-12)41-11-20-23(34)25(36)27(38)29(44-20)43-14-9-17(32)21(19(10-14)40-3)15(30)6-4-13-5-7-18(39-2)16(31)8-13/h4-10,12,20,22-29,31-38H,11H2,1-3H3


cas: 24292-60-2
inchikey: WSDDJLMGYRLUKR-WUEGHLCSSA-L
norman_susdat_id: NS00078239
name:
Adenosine 5'-(trihydrogen diphosphate), 2'-(dihydrogen phosphate), 5'→5'-ester with 3-(aminocarbonyl)-1-β-d-ribofuranosylpyridinium hydroxide, inner salt, disodium salt

smiles:
c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)([O-])OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncnc5N)OP(=O)(O)[O-])O)O)O)C(=O)N.[Na+].[Na+]


name: (1-Methylethylidene)di-4,1-cyclohexanediyl bis(mercaptoacetate)
cas: 24293-41-2
chemspiderid: 81657
dtxsid: DTXSID80179021
formula: C19H32O4S2
inchikey: ZTFAPZCGOKGJRX-UHFFFAOYSA-N
norman_susdat_id: NS00027604
pubchem_cid: 90444
smiles: CC(C)(C1CCC(CC1)OC(=O)CS)C1CCC(CC1)OC(=O)CS
inchi:
InChI=1S/C19H32O4S2/c1-19(2,13-3-7-15(8-4-13)22-17(20)11-24)14-5-9-16(10-6-14)23-18(21)12-25/h13-16,24-25H,3-12H2,1-2H3/t13-,14-,15-,16+


name: Acetic acid, 2,2'-thiobis-, 1,1'-bis(2-ethylhexyl) ester
cas: 24293-43-4
chemspiderid: 82313
dtxsid: DTXSID10884898
formula: C20H38O4S1
inchikey: KYWZILPIDASSGE-UHFFFAOYSA-N
norman_susdat_id: NS00006770
pubchem_cid: 91160
smiles: CCCCC(CC)COC(=O)CSCC(=O)OCC(CC)CCCC
inchi:
InChI=1S/C20H38O4S/c1-5-9-11-17(7-3)13-23-19(21)15-25-16-20(22)24-14-18(8-4)12-10-6-2/h17-18H,5-16H2,1-4H3


name: trioctylpropyl ammonium bromide
cas: 24298-17-7
chemspiderid: 81662
formula: C27H58N1
inchikey: JQVDSCBBKYAPBH-UHFFFAOYSA-N
norman_susdat_id: NS00014211
pubchem_cid: 90450
smiles: [Br-].CCCCCCCC[N+](CCC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1S/C27H58N.BrH/c1-5-9-12-15-18-21-25-28(24-8-4,26-22-19-16-13-10-6-2)27-23-20-17-14-11-7-3;/h5-27H2,1-4H3;1H/q+1;/p-1


name: Vinylbital
cas: 2430-49-1
chebiid: CHEBI:134922
formula: C11H16N2O3
inchikey: KGKJZEKQJQQOTD-UHFFFAOYSA-N
norman_susdat_id: NS00047593
pubchem_cid: 72135
smiles: O=C1NC(=O)C(C=C)(C(=O)N1)C(C)CCC
inchi:
InChI=1/C11H16N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h5,7H,2,4,6H2,1,3H3,(H2,12,13,14,15,16)


name: Cinchonine hydrochloride
cas: 24302-67-8
formula: C19H22N2O.xClH
inchikey: IMUHWLVEEVGMBC-BKUXTCEESA-N
norman_susdat_id: NS00084566
smiles: Cl.O[C@H]([C@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34
inchi:
InChI=1/C19H22N2O.ClH/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;/h2-7,9,13-14,18-19,22H,1,8,10-12H2;1H


name: N,N'-(2,5-Dimethyl-1,4-phenylene)bis(3-oxobutyramide)
cas: 24304-50-5
chemspiderid: 81669
dtxsid: DTXSID90179037
formula: C16H20N2O4
inchikey: NPISXGVUUHHCHZ-UHFFFAOYSA-N
norman_susdat_id: NS00001224
pubchem_cid: 90456
smiles: CC(=O)CC(=O)Nc1cc(C)c(NC(=O)CC(C)=O)cc1C
inchi:
InChI=1S/C16H20N2O4/c1-9-5-14(18-16(22)8-12(4)20)10(2)6-13(9)17-15(21)7-11(3)19/h5-6H,7-8H2,1-4H3,(H,17,21)(H,18,22)


name: Protirelin
cas: 24305-27-9
chebiid: CHEBI:35940
chemspiderid: 554166
dtxsid: DTXSID0023533
formula: C16H22N6O4
inchikey: XNSAINXGIQZQOO-SRVKXCTJSA-N
norman_susdat_id: NS00006015
pubchem_cid: 638678
smiles: NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1
inchi:
InChI=1S/C16H22N6O4/c17-14(24)12-2-1-5-22(12)16(26)11(6-9-7-18-8-19-9)21-15(25)10-3-4-13(23)20-10/h7-8,10-12H,1-6H2,(H2,17,24)(H,18,19)(H,20,23)(H,21,25)/t10-,11-,12-/m0/s1


cas: 24305-97-3
formula: C36H28CrN8O10S2.Na
inchikey: ZGWUGEDQBYJVNR-UHFFFAOYSA-J
norman_susdat_id: NS00084567
name:
Sodium bis[N-[7-hydroxy-8-[[2-hydroxy-5-sulphamoylphenyl]azo]-1-naphthyl]acetamidato(2-)]chromate(1-)

inchi:
InChI=1/2C18H16N4O5S.Cr.Na/c2*1-10(23)20-13-4-2-3-11-5-7-16(25)18(17(11)13)22-21-14-9-12(28(19,26)27)6-8-15(14)24;;/h2*2-9,24-25H,1H3,(H,20,23)(H2,19,26,27);;/q;;+3;+1/p-4/rC36H29CrN8O10S2.Na/c1-19(46)40-25-7-3-5-21-9-14-31(35(33(21)25)44-42-27-17-23(56(38,49)50)11-13-29(27)48)54-37-53-30-16-12-24(57(39,51)52)18-28(30)43-45-36-32(55-37)15-10-22-6-4-8-26(34(22)36)41-20(2)47;/h3-18,48H,1-2H3,(H,40,46)(H,41,47)(H2,38,49,50)(H2,39,51,52);/q;+1/p-1

smiles:
CC(=O)Nc1cccc2ccc(O[Cr]3Oc4ccc(cc4N=Nc5c(O3)ccc6cccc(NC(=O)C)c56)S(=O)(=O)N)c(N=Nc7cc(ccc7O[Na])S(=O)(=O)N)c12


name: Propanamide, N-[3-[bis[2-(acetyloxy)ethyl]amino]phenyl]-
cas: 24311-37-3
chemspiderid: 81676
dtxsid: DTXSID3066978
formula: C17H24N2O5
inchikey: VFMLUXFDWFQZNA-UHFFFAOYSA-N
norman_susdat_id: NS00027611
pubchem_cid: 90463
smiles: CCC(=O)Nc1cccc(c1)N(CCOC(=O)C)CCOC(=O)C
inchi:
InChI=1S/C17H24N2O5/c1-4-17(22)18-15-6-5-7-16(12-15)19(8-10-23-13(2)20)9-11-24-14(3)21/h5-7,12H,4,8-11H2,1-3H3,(H,18,22)


name: Dioctyl sebacate
cas: 2432-87-3
chemspiderid: 68042
dtxsid: DTXSID0047537
formula: C26H50O4
inchikey: MIMDHDXOBDPUQW-UHFFFAOYSA-N
norman_susdat_id: NS00021919
pubchem_cid: 75516
smiles: CCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCC
inchi:
InChI=1S/C26H50O4/c1-3-5-7-9-15-19-23-29-25(27)21-17-13-11-12-14-18-22-26(28)30-24-20-16-10-8-6-4-2/h3-24H2,1-2H3


name: Didodecyl sebacate
cas: 2432-88-4
chemspiderid: 68043
dtxsid: DTXSID20179065
formula: C34H66O4
inchikey: HIKZOIYUQFYFBB-UHFFFAOYSA-N
norman_susdat_id: NS00027619
pubchem_cid: 75517
smiles: CCCCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCCCC
inchi:
InChI=1S/C34H66O4/c1-3-5-7-9-11-13-15-19-23-27-31-37-33(35)29-25-21-17-18-22-26-30-34(36)38-32-28-24-20-16-14-12-10-8-6-4-2/h3-32H2,1-2H3


name: Decanedioic acid, didecyl ester
cas: 2432-89-5
chemspiderid: 16166
dtxsid: DTXSID6062418
formula: C30H58O4
inchikey: HTMDHERCQUESGS-UHFFFAOYSA-N
norman_susdat_id: NS00027620
pubchem_cid: 17081
smiles: CCCCCCCCCCOC(=O)CCCCCCCCC(=O)OCCCCCCCCCC
inchi:
InChI=1S/C30H58O4/c1-3-5-7-9-11-15-19-23-27-33-29(31)25-21-17-13-14-18-22-26-30(32)34-28-24-20-16-12-10-8-6-4-2/h3-28H2,1-2H3


name: 1,2-Benzenedicarboxylic acid, didodecyl ester
cas: 2432-90-8
chemspiderid: 16167
dtxsid: DTXSID1062419
formula: C32H54O4
inchikey: PUFGCEQWYLJYNJ-UHFFFAOYSA-N
norman_susdat_id: NS00027621
pubchem_cid: 17082
smiles: CCCCCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCCC
inchi:
InChI=1S/C32H54O4/c1-3-5-7-9-11-13-15-17-19-23-27-35-31(33)29-25-21-22-26-30(29)32(34)36-28-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-26H,3-20,23-24,27-28H2,1-2H3


name: 9-bromo-11ß,17-dihydroxypregn-4-ene-3,20-dione 17-acetate
cas: 24320-15-8
dtxsid: DTXSID10947154
formula: C23H31BrO5
inchikey: BSBKWSKMSCDDNJ-FQJIPJFPSA-N
norman_susdat_id: NS00051153
pubchem_cid: 21116691
smiles: O=C(OC1(C(=O)C)CCC2C3CCC4=CC(=O)CCC4(C)C3(Br)C(O)CC21C)C
inchi:
InChI=1/C23H31BrO5/c1-13(25)22(29-14(2)26)10-8-17-18-6-5-15-11-16(27)7-9-20(15,3)23(18,24)19(28)12-21(17,22)4/h11,17-19,28H,5-10,12H2,1-4H3


name: 9-chloro-6a,11ß-difluoro-21-hydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-valerate
cas: 24320-24-9
dtxsid: DTXSID70947155
formula: C27H35ClF2O4
inchikey: ZQNXBAZRKNDZQZ-YTFFSALGSA-N
norman_susdat_id: NS00051165
pubchem_cid: 21116692
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(C(=O)COC(=O)CCCC)C4(C)CC(F)C32Cl)C
inchi:
InChI=1/C27H35ClF2O4/c1-5-6-7-23(33)34-14-21(32)24-15(2)10-17-18-12-20(29)19-11-16(31)8-9-26(19,4)27(18,28)22(30)13-25(17,24)3/h8-9,11,15,17-18,20,22,24H,5-7,10,12-14H2,1-4H3


name: Uscharidin
cas: 24321-47-9
chebiid: CHEBI:9913
chemspiderid: 441874
formula: C29H38O9
inchikey: YOCULAYFPPWLRI-OLEQQPCLSA-N
norman_susdat_id: NS00093745
pubchem_cid: 390450
smiles:
C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3C[C@@H]4CC[C@@H]5[C@@H]([C@]4(C[C@H]3O2)C=O)CC[C@]6([C@@]5(CC[C@@H]6C7=CC(=O)OC7)O)C)O


name: Tricosanoic acid
cas: 2433-96-7
chebiid: CHEBI:42394
dtxsid: DTXSID40179067
formula: C23H46O2
inchikey: XEZVDURJDFGERA-UHFFFAOYSA-N
norman_susdat_id: NS00047594
pubchem_cid: 17085
smiles: O=C(O)CCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C23H46O2/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/h2-22H2,1H3,(H,24,25)


name: Methyl tricosanoate
cas: 2433-97-8
chebiid: CHEBI:143589
chemspiderid: 68045
dtxsid: DTXSID00179068
formula: C24H48O2
inchikey: VORKGRIRMPBCCZ-UHFFFAOYSA-N
norman_susdat_id: NS00027624
pubchem_cid: 75519
smiles: CCCCCCCCCCCCCCCCCCCCCCC(=O)OC
inchi:
InChI=1S/C24H48O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-2/h3-23H2,1-2H3


name: Nagilactone C
cas: 24338-53-2
chemspiderid: 282974
formula: C19H22O7
inchikey: DGNOPGIIPQKNHD-UHFFFAOYSA-N
norman_susdat_id: NS00067922
pubchem_cid: 72505
inchi:
InChI=1S/C19H22O7/c1-6(2)11-9-7(5-8(20)24-11)18(3)14-12(10(9)21)26-17(23)19(14,4)15(22)13-16(18)25-13/h5-6,10,12-16,21-22H,1-4H3


name: N4-Acetylsulfadimethoxine
cas: 24341-30-8
chebiid: CHEBI:83456
chemspiderid: 147099
dtxsid: DTXSID90891444
formula: C14H16N4O5S1
inchikey: DQWIIKBKAIPUPY-UHFFFAOYSA-N
norman_susdat_id: NS00000232
pubchem_cid: 168167
smiles: C(C)(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nc(cc(n1)OC)OC
inchi:
InChI=1S/C14H16N4O5S/c1-9(19)15-10-4-6-11(7-5-10)24(20,21)18-14-16-12(22-2)8-13(17-14)23-3/h4-8H,1-3H3,(H,15,19)(H,16,17,18)


name: 2,6-bis(1-cyclohexen-1-yl)cyclohexan-1-one
cas: 24344-21-6
dtxsid: DTXSID50947193
formula: C18H26O
inchikey: UXCKNEGQGAKQLT-UHFFFAOYSA-N
norman_susdat_id: NS00050712
pubchem_cid: 91170
smiles: O=C1C(C2=CCCCC2)CCCC1C3=CCCCC3
inchi:
InChI=1/C18H26O/c19-18-16(14-8-3-1-4-9-14)12-7-13-17(18)15-10-5-2-6-11-15/h8,10,16-17H,1-7,9,11-13H2


name: Apamin
cas: 24345-16-2
dtxsid: DTXSID70897227
formula: C79H131N31O24S4
inchikey: YVIIHEKJCKCXOB-STYWVVQQSA-N
norman_susdat_id: NS00075519
inchi:
InChI=1S/C79H131N31O24S4/c1-35(2)26-49-70(127)107-51-31-136-135-30-41(81)63(120)105-50(28-57(84)114)71(128)108-53(73(130)99-42(12-7-8-22-80)64(121)96-38(5)77(134)110-25-11-15-54(110)75(132)102-47(18-21-58(115)116)69(126)109-59(39(6)111)76(133)95-37(4)62(119)104-49)33-138-137-32-52(106-66(123)44(14-10-24-92-79(88)89)98-65(122)43(13-9-23-91-78(86)87)97-61(118)36(3)94-72(51)129)74(131)101-45(16-19-55(82)112)67(124)100-46(17-20-56(83)113)68(125)103-48(60(85)117)27-40-29-90-34-93-40/h29,34-39,41-54,59,111H,7-28,30-33,80-81H2,1-6H3,(H2,82,112)(H2,83,113)(H2,84,114)(H2,85,117)(H,90,93)(H,94,129)(H,95,133)(H,96,121)(H,97,118)(H,98,122)(H,99,130)(H,100,124)(H,101,131)(H,102,132)(H,103,125)(H,104,119)(H,105,120)(H,106,123)(H,107,127)(H,108,128)(H,109,126)(H,115,116)(H4,86,87,91)(H4,88,89,92)/t36-,37-,38-,39+,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,59-/m0/s1

smiles:
CC(C)C[C@@H]1NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](C)NC(=O)[C@H](CSSC[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N2)NC1=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC1=CNC=N1)C(N)=O)[C@@H](C)O


name: (3S)-5'-[(3-amino-3-carboxypropyl)methylsulphonio]-5'-deoxyadenosine chloride
cas: 24346-00-7
formula: C15H23N6O5S.Cl
inchikey: DYFPQIYEZQULMZ-YZWDQNTRSA-N
norman_susdat_id: NS00084624
smiles: [Cl-].C[S+](CCC(N)C(=O)O)C[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(N)ncnc23
inchi:
InChI=1/C15H22N6O5S.ClH/c1-27(3-2-7(16)15(24)25)4-8-10(22)11(23)14(26-8)21-6-20-9-12(17)18-5-19-13(9)21;/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H2-,17,18,19,24,25);1H


name: 1-(1(2H)-acenaphthylenylidene)-1,2-dihydroacenaphthylene
cas: 2435-82-7
formula: C24H16
inchikey: SBXNBQKTWHZZGA-UHFFFAOYSA-N
norman_susdat_id: NS00048295
pubchem_cid: 75523
smiles: C1=CC2=CC=CC3=C2C(=C1)C(=C4C5=CC=CC6=CC=CC(=C65)C4)C3
inchi:
InChI=1/C24H16/c1-5-15-7-3-11-19-21(13-17(9-1)23(15)19)22-14-18-10-2-6-16-8-4-12-20(22)24(16)18/h1-12H,13-14H2


name: 5,6-dichloro-1-ethyl-2-methyl-3-(3-sulphonatopropyl)-1H-benzimidazolium
cas: 24351-11-9
dtxsid: DTXSID7066982
formula: C13H18Cl2N2O3S
inchikey: QOCUQJWYFQOIQC-UHFFFAOYSA-N
norman_susdat_id: NS00051156
pubchem_cid: NA
smiles: O=S(=O)([O-])CCCN1C2=CC(Cl)=C(Cl)C=C2[NH+](CC)C1C
inchi:
InChI=1/C13H18Cl2N2O3S/c1-3-16-9(2)17(5-4-6-21(18,19)20)13-8-11(15)10(14)7-12(13)16/h7-9H,3-6H2,1-2H3,(H,18,19,20)


cas: 24353-00-2
formula: C19H21N5O10S3
inchikey: BPJPCVRJAVFDHM-UHFFFAOYSA-N
norman_susdat_id: NS00050714
pubchem_cid: 90478
smiles: O=S(=O)(O)OCCS(=O)(=O)C1=CC=C(OC)C(N=NC=2C(=NN(C3=CC=C(C=C3)S(=O)(=O)O)C2N)C)=C1
name:
p-[5-amino-4-[[2-methoxy-5-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-3-methyl-1H-pyrazol-1-yl]benzenesulphonic acid

inchi:
InChI=1/C19H21N5O10S3/c1-12-18(19(20)24(23-12)13-3-5-14(6-4-13)36(27,28)29)22-21-16-11-15(7-8-17(16)33-2)35(25,26)10-9-34-37(30,31)32/h3-8,11H,9-10,20H2,1-2H3,(H,27,28,29)(H,30,31,32)


cas: 24356-60-3
formula: C17H17N3O6S2.Na
inchikey: VGEOUKPOQQEQSX-LINSIKMZSA-M
norman_susdat_id: NS00084590
smiles: [Na+].O=C2[C@H](NC(=O)CSc1ccncc1)[C@@H]3SC\C(COC(C)=O)=C(/N23)C([O-])=O
name:
Sodium (6R-trans)-3-(acetoxymethyl)-8-oxo-7-[(4-pyridylthio)acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

inchi:
InChI=1/C17H17N3O6S2.Na/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11;/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25);/q;+1/p-1


name: Deladroxone
cas: 24356-94-3
chebiid: CHEBI:49327
chemspiderid: 29967
dtxsid: DTXSID1022891
formula: C29H36O4
inchikey: AHBKIEXBQNRDNL-FVCOMRFXSA-N
norman_susdat_id: NS00027632
pubchem_cid: NA
smiles: CC(=O)[C@@]12OC(C)(O[C@@H]1C[C@H]1C3CCC4=CC(=O)CCC4(C)[C@H]3CCC21C)c1ccccc1
inchi:
InChI=1S/C29H36O4/c1-18(30)29-25(32-28(4,33-29)19-8-6-5-7-9-19)17-24-22-11-10-20-16-21(31)12-14-26(20,2)23(22)13-15-27(24,29)3/h5-9,16,22-25H,10-15,17H2,1-4H3/t22-,23-,24-,25+,26+,27-,28-,29+/m0/s1


name: Endo-3-(3-hydroxy-1-oxo-2-phenylpropoxy)-8-isopropyl-8-methyl-8-azoniabicyclo[3.2.1]octane bromide
cas: 24358-20-1
formula: C20H30NO3.Br
inchikey: LHLMOSXCXGLMMN-WDTICOSOSA-M
norman_susdat_id: NS00085249
smiles: [Br-].CC(C)[N+]1(C)[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3
inchi:
InChI=1/C20H30NO3.BrH/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15;/h4-8,14,16-19,22H,9-13H2,1-3H3;1H/q+1;/p-1


name: (3,3-diphenylpropyl)diisopropylammonium chloride
cas: 24358-65-4
formula: C21H29N.ClH
inchikey: ZYMHFUWAJIWDKD-UHFFFAOYSA-N
norman_susdat_id: NS00085262
smiles: [Cl-].CC(C)[NH+](CCC(c1ccccc1)c2ccccc2)C(C)C
inchi:
InChI=1/C21H29N.ClH/c1-17(2)22(18(3)4)16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20;/h5-14,17-18,21H,15-16H2,1-4H3;1H


name: Nivacortol
cas: 24358-76-7
formula: C28H31FN2O
inchikey: ZQLOAGFNRKBEAJ-BDPSOKNUSA-N
norman_susdat_id: NS00051179
pubchem_cid: 9910575
smiles: FC1=CC=C(C=C1)N2N=CC3=C2C=C4CCC5C(CCC6(C)C5CCC6(O)C#C)C4(C)C3
inchi:
InChI=1/C28H31FN2O/c1-4-28(32)14-12-24-22-10-5-19-15-25-18(16-26(19,2)23(22)11-13-27(24,28)3)17-30-31(25)21-8-6-20(29)7-9-21/h1,6-9,15,17,22-24,32H,5,10-14,16H2,2-3H3


cas: 24359-22-6
formula: C19H21NS.C4H4O4
inchikey: GGYSHFFKUHGBIK-BTJKTKAUSA-M
norman_susdat_id: NS00084626
smiles: C[NH+]1CCC(=C2c3ccccc3CCc4sccc24)CC1.[O-]C(=O)\C=C/C(=O)[O-]
name:
4-(9,10-dihydro-4H-benzo[4,5]cyclohepta[1,2-b]thien-4-ylidene)-1-methylpiperidinium hydrogen maleate

inchi:
InChI=1/C19H21NS.C4H4O4/c1-20-11-8-15(9-12-20)19-16-5-3-2-4-14(16)6-7-18-17(19)10-13-21-18;5-3(6)1-2-4(7)8/h2-5,10,13H,6-9,11-12H2,1H3;1-2H,(H,5,6)(H,7,8)/p-1


name: 10-[(1-methyl-3-piperidyl)methyl]-10H-phenothiazine monoacetate
cas: 24360-97-2
formula: C19H22N2S.C2H4O2
inchikey: COBIOCPXKOZHSU-UHFFFAOYSA-N
norman_susdat_id: NS00084338
smiles: CN1CCCC(CN2c3ccccc3Sc4ccccc24)C1.CC(=O)O
inchi:
InChI=1/C19H22N2S.C2H4O2/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21;1-2(3)4/h2-5,8-11,15H,6-7,12-14H2,1H3;1H3,(H,3,4)


cas: 2437-29-8
formula: C23H25N2.1/2C2H2O4.C2HO4
inchikey: CNYGFPPAGUCRIC-UHFFFAOYSA-L
norman_susdat_id: NS00082327
name:
Bis[[4-[4-(dimethylamino)benzhydrylidene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium] oxalate, dioxalate

inchi:
InChI=1/2C23H25N2.3C2H2O4/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*3-1(4)2(5)6/h2*5-17H,1-4H3;3*(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.OC(=O)C(=O)O.OC(=O)C(=O)[O-].OC(=O)C(=O)[O-]


name: Triphenyl(salicyloyloxy)stannane
cas: 24379-26-8
dtxsid: DTXSID20179126
formula: C25H20O3Sn
inchikey: KBUBQYVZGBKROA-UHFFFAOYSA-M
norman_susdat_id: NS00051233
pubchem_cid: NA
smiles: O=C(O[Sn](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3)C=4C=CC=CC4O
inchi:
InChI=1/C7H6O3.3C6H5.Sn/c8-6-4-2-1-3-5(6)7(9)10;3*1-2-4-6-5-3-1;/h1-4,8H,(H,9,10);3*1-5H;/q;;;;+1/p-1/rC25H20O3Sn/c26-24-19-11-10-18-23(24)25(27)28-29(20-12-4-1-5-13-20,21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1-19,26H


name: Glycerides, C16 tri
cas: 2438-40-6
chebiid: CHEBI:140863
chemspiderid: 2860372
dtxsid: DTXSID40179128
formula: C54H104O6
inchikey: FBFWDBGUSMGXPI-UHFFFAOYSA-N
norman_susdat_id: NS00095789
pubchem_cid: 3625612
smiles: CCCCCCCCCCCCCCCCC(=O)OCC(COC(=O)CCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC
inchi:
InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3


name: Choline 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate
cas: 24381-49-5
formula: C5H14NO.C5H3N2O4
inchikey: IMAGLCGCHKGGLR-UHFFFAOYSA-M
norman_susdat_id: NS00085294
smiles: C[N+](C)(C)CCO.[O-]C(=O)C1=CC(=O)NC(=O)N1
inchi:
InChI=1/C5H4N2O4.C5H14NO/c8-3-1-2(4(9)10)6-5(11)7-3;1-6(2,3)4-5-7/h1H,(H,9,10)(H2,6,7,8,11);7H,4-5H2,1-3H3/q;+1/p-1


cas: 243858-01-7
inchikey: AUZYOFLEZCTGGW-UHFFFAOYSA-J
norman_susdat_id: NS00078571
name:
Tetrasodium 2-(4-fluoro-6-(methyl-(2-(sulfatoethylsulfonyl)ethyl)amino)-1,3,5-triazin-2-ylamino)-5-hydroxy-6-(4-methyl-2-sulfonatophenylazo)naphthalene-1,7-disulfonate

smiles:
FC1=NC(=NC(=N1)N(CCS(=O)(=O)CCOS(=O)(=O)[O-])C)NC1=C(C2=CC(=C(C(=C2C=C1)O)N=NC1=C(C=C(C=C1)C)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+]


name: Iodotubercidin
cas: 24386-93-4
chebiid: CHEBI:40167
dtxsid: DTXSID40865150
formula: C11H13IN4O4
inchikey: WHSIXKUPQCKWBY-IOSLPCCCSA-N
norman_susdat_id: NS00069958
pubchem_cid: 97297
smiles: Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
inchi:
InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1


name: 2,5-diphenyl-3-(p-styrylphenyl)-2H-tetrazolium chloride
cas: 24387-36-8
formula: C27H21N4
inchikey: ZLKDAUOJQKIWLC-UHFFFAOYSA-N
norman_susdat_id: NS00052003
pubchem_cid: 417394
smiles: N1=C(N=[N+](C=2C=CC(C=CC=3C=CC=CC3)=CC2)N1C=4C=CC=CC4)C=5C=CC=CC5
inchi:
InChI=1/C27H21N4/c1-4-10-22(11-5-1)16-17-23-18-20-26(21-19-23)31-29-27(24-12-6-2-7-13-24)28-30(31)25-14-8-3-9-15-25/h1-21H/q+1


name: Dodine
cas: 2439-10-3
chebiid: CHEBI:74889
dtxsid: DTXSID3020548
formula: C15H33N3O2
inchikey: YIKWKLYQRFRGPM-UHFFFAOYSA-N
norman_susdat_id: NS00098531
pubchem_cid: 17110
smiles: CC(O)=O.CCCCCCCCCCCCNC(N)=N
inchi:
InChI=1S/C13H29N3.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13(14)15;1-2(3)4/h2-12H2,1H3,(H4,14,15,16);1H3,(H,3,4)


name: Doxycycline hyclate
cas: 24390-14-5
chebiid: CHEBI:34730
dtxsid: DTXSID4041020
formula: C46H58Cl2N4O18
inchikey: HALQELOKLVRWRI-VDBOFHIQSA-N
norman_susdat_id: NS00076307
inchi:
InChI=1S/2C22H24N2O8.C2H6O.2ClH.H2O/c2*1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;1-2-3;;;/h2*4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);3H,2H2,1H3;2*1H;1H2/t2*7-,10+,14+,15-,17-,22-;;;;/m00..../s1

smiles:
O.Cl.Cl.CCO.C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C2C(=O)C2=C1C=CC=C2O.C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(O)=C(C(N)=O)C(=O)[C@@]3(O)C(O)=C2C(=O)C2=C1C=CC=C2O


name: D-glucitol, compound with iron(3+) citrate
cas: 24390-15-6
formula: C6H14O6.C6H8O7.xFe
inchikey: WNDUPUMWHYAJOR-SADXPQEKSA-K
norman_susdat_id: NS00083846
smiles: [Fe+3].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)CO.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C6H8O7.C6H14O6.Fe/c7-3(8)1-6(13,5(11)12)2-4(9)10;7-1-3(9)5(11)6(12)4(10)2-8;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);3-12H,1-2H2;/q;;+3/p-3


cas: 24394-09-0
dtxsid: DTXSID90878518
formula: C20H26O7
inchikey: ZTDFZLVUIVPZDU-ZCVSKNPDSA-N
norman_susdat_id: NS00050556
pubchem_cid: 21249618
smiles: O=C(OC1CC(=CCCC(=CC2OC(=O)C(=C)C21)CO)C)C(=C)C(O)CO
name:
2,3,3a,4,5,8,9,11a-octahydro-10-(hydroxymethyl)-6-methyl-3-methylene-2-oxocyclodeca[b]furan-4-yl 3,4-dihydroxy-2-methylenebutyrate

inchi:
InChI=1/C20H26O7/c1-11-5-4-6-14(9-21)8-17-18(13(3)20(25)27-17)16(7-11)26-19(24)12(2)15(23)10-22/h5,8,15-18,21-23H,2-4,6-7,9-10H2,1H3


name: 2-(carboxyformamido)-4h,5h,6h,7h-thieno[2,3-c]pyridine-3-carboxylic acid
cas: 243967-42-2
formula: C10H10N2O5S
inchikey: ZIBMATWHOAGNTR-UHFFFAOYSA-N
norman_susdat_id: NS00068658
pubchem_cid: 444766
smiles: O=C(O)C(=O)Nc1sc2c(c1C(=O)O)CCNC2
inchi:
InChI=1S/C10H10N2O5S/c13-7(10(16)17)12-8-6(9(14)15)4-1-2-11-3-5(4)18-8/h11H,1-3H2,(H,12,13)(H,14,15)(H,16,17)


name: 6-(oxalyl-Amino)-1h-Indole-5-Carboxylic Acid
cas: 243967-44-4
dtxsid: DTXSID50332166
formula: C11H8N2O5
inchikey: AHWMERGBWWROMM-UHFFFAOYSA-N
norman_susdat_id: NS00068896
pubchem_cid: 444763
smiles: O=C(O)C(=O)Nc1cc2[nH]ccc2cc1C(=O)O
inchi:
InChI=1S/C11H8N2O5/c14-9(11(17)18)13-8-4-7-5(1-2-12-7)3-6(8)10(15)16/h1-4,12H,(H,13,14)(H,15,16)(H,17,18)


name: Actinobolin
cas: 24397-89-5
chemspiderid: 16735641
formula: C13H20N2O6
inchikey: PQVQBAAWCOTEBG-NSVWQLETSA-N
norman_susdat_id: NS00011807
pubchem_cid: 54688606
smiles: C[C@@H]1[C@@H]([C@@H]2[C@H]([C@@H](CC(=C2C(=O)O1)O)O)O)NC(=O)[C@H](C)N
inchi:
InChI=1S/C13H20N2O6/c1-4(14)12(19)15-10-5(2)21-13(20)8-6(16)3-7(17)11(18)9(8)10/h4-5,7,9-11,16-18H,3,14H2,1-2H3,(H,15,19)/t4-,5+,7+,9+,10-,11-/m0/s1


name: Pinoxaden
cas: 243973-20-8
chebiid: CHEBI:83524
chemspiderid: 182281
dtxsid: DTXSID8034823
formula: C23H32N2O4
inchikey: MGOHCFMYLBAPRN-UHFFFAOYSA-N
norman_susdat_id: NS00000321
pubchem_cid: 210326
smiles: CC(C)(C)C(=O)O/C2=C(/C(=O)N1CCOCCN12)c3c(CC)cc(C)cc3CC
inchi:
InChI=1S/C23H32N2O4/c1-7-16-13-15(3)14-17(8-2)18(16)19-20(26)24-9-11-28-12-10-25(24)21(19)29-22(27)23(4,5)6/h13-14H,7-12H2,1-6H3


name: Argifin
cas: 243975-37-3
dtxsid: DTXSID00332297
formula: C29H41N9O10
inchikey: UHBHXSDKGLPPGO-HTDHLNIYSA-N
norman_susdat_id: NS00071704
pubchem_cid: 449124
inchi:
InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17+,18+,19+,20+/m1/s1

smiles:
CNC(=O)NC(=N)NCCC[C@@H]1NC(=O)[C@@H](C)NC(=O)C[C@@H](C(=O)O)NC(=O)C[C@@H](C(=O)O)NC(=O)[C@H](Cc2ccccc2)N(C)C1=O


name: Bis(heptadecafluorooctyl) 2-methylidenebutanedioate
cas: 243977-25-5
dtxsid: DTXSID90896116
formula: C21H4F34O4
inchikey: FJDNRGZXGFXROS-UHFFFAOYSA-N
norman_susdat_id: NS00112141
inchi:
InChI=1S/C21H4F34O4/c1-3(5(57)59-21(54,55)17(44,45)13(36,37)9(28,29)7(24,25)11(32,33)15(40,41)19(49,50)51)2-4(56)58-20(52,53)16(42,43)12(34,35)8(26,27)6(22,23)10(30,31)14(38,39)18(46,47)48/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)OC(=O)CC(=C)C(=O)OC(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: Resatorvid
cas: 243983-70-2
dtxsid: DTXSID00947269
formula: C15H17ClFNO4S
inchikey: LEEIJTHMHDMWLJ-CQSZACIVSA-N
norman_susdat_id: NS00071029
pubchem_cid: 11703255
smiles: CCOC(=O)C1=CCCC[C@H]1S(=O)(=O)Nc1ccc(F)cc1Cl
inchi:
InChI=1S/C15H17ClFNO4S/c1-2-22-15(19)11-5-3-4-6-14(11)23(20,21)18-13-8-7-10(17)9-12(13)16/h5,7-9,14,18H,2-4,6H2,1H3/t14-/m1/s1


name: Artabsine
cas: 24399-20-0
chebiid: CHEBI:2848
chemspiderid: 390664
dtxsid: DTXSID00179144
formula: C15H20O3
inchikey: BXBCLQRTBGRRDB-MJVIGCOGSA-N
norman_susdat_id: NS00094593
pubchem_cid: 442146
smiles: C[C@H]1[C@@H]2CC[C@](C)(O)C3=CCC(C)=C3[C@H]2OC1=O
inchi:
InChI=1S/C15H20O3/c1-8-4-5-11-12(8)13-10(6-7-15(11,3)17)9(2)14(16)18-13/h5,9-10,13,17H,4,6-7H2,1-3H3/t9-,10-,13-,15-/m0/s1


name: (S)-4-[[2-[(4-nitrophenyl)amino]-2-oxo-1-(phenylmethyl)ethyl]amino]-4-oxobutyric acid
cas: 2440-62-2
dtxsid: DTXSID70947271
formula: C19H20N3O6
inchikey: KNBLWBFJHZHYFG-INIZCTEOSA-N
norman_susdat_id: NS00046937
pubchem_cid: 7408160
smiles: O=C(O)CCC(=O)NC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])CC=2C=CC=CC2
inchi:
InChI=1/C19H19N3O6/c23-17(10-11-18(24)25)21-16(12-13-4-2-1-3-5-13)19(26)20-14-6-8-15(9-7-14)22(27)28/h1-9,16H,10-12H2,(H,20,26)(H,21,23)(H,24,25)


name: Disodium 4-hydroxynaphthalene-2,6-disulphonate
cas: 24402-46-8
formula: C10H8O7S2.2Na
inchikey: RLZVCSMLCVGDHP-UHFFFAOYSA-L
norman_susdat_id: NS00083840
smiles: [Na+].[Na+].Oc1cc(cc2ccc(cc12)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H8O7S2.2Na/c11-10-5-8(19(15,16)17)3-6-1-2-7(4-9(6)10)18(12,13)14;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2


cas: 24402-80-0
dtxsid: DTXSID2066983
formula: C24H23N2O4S2
inchikey: AGZABEYUDPBTMR-UHFFFAOYSA-N
norman_susdat_id: NS00050558
pubchem_cid: NA
smiles: [H+].O=C([O-])CCN1C(SC=2C=CC=CC21)=CC(=CC=3SC=4C=CC=CC4[N+]3CCC(=O)[O-])C
name:
Hydrogen 3-(2-carboxylatoethyl)-2-[3-[3-(2-carboxylatoethyl)-3H-benzothiazol-2-ylidene]-2-methylprop-1-enyl]benzothiazolium

inchi:
InChI=1/C24H22N2O4S2.H2/c1-16(14-21-25(12-10-23(27)28)17-6-2-4-8-19(17)31-21)15-22-26(13-11-24(29)30)18-7-3-5-9-20(18)32-22;/h2-9,14-15H,10-13H2,1H3,(H-,27,28,29,30);1H/q;+1/p-1


name: L-arginine monocitrate
cas: 24404-97-5
formula: C6H14N4O2.C6H8O7
inchikey: SGJSPXDVZJIWEO-WCCKRBBISA-N
norman_susdat_id: NS00083841
smiles: N[C@@H](CCCNC(=N)N)C(=O)O.OC(=O)CC(O)(CC(=O)O)C(=O)O
inchi:
InChI=1/C6H14N4O2.C6H8O7/c7-4(5(11)12)2-1-3-10-6(8)9;7-3(8)1-6(13,5(11)12)2-4(9)10/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)


name: 3-(Perfluoro-7-methyloctyl)-2-hydroxypropyl acrylate
cas: 24407-09-8
chemspiderid: 82332
dtxsid: DTXSID10880234
formula: C15H9F19O3
inchikey: VAHMONSDBBIGFL-UHFFFAOYSA-N
norman_susdat_id: NS00010923
pubchem_cid: 91179
smiles: C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(COC(C=C)=O)O
inchi:
InChI=1S/C15H9F19O3/c1-2-6(36)37-4-5(35)3-7(16,17)9(19,20)11(23,24)13(27,28)12(25,26)10(21,22)8(18,14(29,30)31)15(32,33)34/h2,5,35H,1,3-4H2


name: N-Palmitoylglycine
cas: 2441-41-0
chebiid: CHEBI:39540
dtxsid: DTXSID40179163
formula: C18H35NO3
inchikey: KVTFEOAKFFQCCX-UHFFFAOYSA-N
norman_susdat_id: NS00070468
pubchem_cid: 151008
smiles: CCCCCCCCCCCCCCCC(=O)NCC(=O)O
inchi:
InChI=1S/C18H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-16-18(21)22/h2-16H2,1H3,(H,19,20)(H,21,22)


name: Methyl tetracosanoic acid
cas: 2442-49-1
chebiid: CHEBI:143590
chemspiderid: 68071
dtxsid: DTXSID50179174
formula: C25H50O2
inchikey: XUDJZDNUVZHSKZ-UHFFFAOYSA-N
norman_susdat_id: NS00027650
pubchem_cid: 75546
smiles: CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
inchi:
InChI=1S/C25H50O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25(26)27-2/h3-24H2,1-2H3


name: 5-({1-[(Carboxymethyl)imino]-3-(hexylsulfanyl)-1-hydroxypropan-2-yl}imino)-5-hydroxynorvaline
cas: 24425-56-7
dtxsid: DTXSID30947297
formula: C16H29N3O6S
inchikey: HXJDWCWJDCOHDG-UHFFFAOYSA-N
norman_susdat_id: NS00069540
pubchem_cid: 97536
smiles: CCCCCCSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O
inchi:
InChI=1/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)


cas: 24429-05-8
dtxsid: DTXSID60947301
formula: C18H30N8O6S
inchikey: WDLCRTLULMGVMR-QWRGUYRKSA-N
norman_susdat_id: NS00070600
pubchem_cid: 5287712
smiles: CCNc1nc(NC(C)C)nc(SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)n1
name:
5-({1-[(Carboxymethyl)imino]-3-({4-(ethylimino)-6-[(propan-2-yl)imino]-1,4,5,6-tetrahydro-1,3,5-triazin-2-yl}sulfanyl)-1-hydroxypropan-2-yl}imino)-5-hydroxynorvaline

inchi:
InChI=1S/C18H30N8O6S/c1-4-20-16-24-17(22-9(2)3)26-18(25-16)33-8-11(14(30)21-7-13(28)29)23-12(27)6-5-10(19)15(31)32/h9-11H,4-8,19H2,1-3H3,(H,21,30)(H,23,27)(H,28,29)(H,31,32)(H2,20,22,24,25,26)/t10-,11-/m0/s1


name: 2-amino-4-({1-[(carboxymethyl)carbamoyl]-2-(octylsulfanyl)ethyl}carbamoyl)butanoic acid
cas: 24435-27-6
formula: C18H33N3O6S
inchikey: MJWCZWAVSJZQNL-KBPBESRZSA-N
norman_susdat_id: NS00070423
pubchem_cid: 443115
smiles: CCCCCCCCSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O
inchi:
InChI=1S/C18H33N3O6S/c1-2-3-4-5-6-7-10-28-12-14(17(25)20-11-16(23)24)21-15(22)9-8-13(19)18(26)27/h13-14H,2-12,19H2,1H3,(H,20,25)(H,21,22)(H,23,24)(H,26,27)/t13-,14-/m0/s1


name: Tris(2-hydroxyethyl)ammonium (o,p-dichlorophenoxy)acetate
cas: 244-35-8
formula: C8H6Cl2O3.C6H15NO3
inchikey: OLHMQEQGSVBLTJ-UHFFFAOYSA-N
norman_susdat_id: NS00081581
smiles: OCC[NH+](CCO)CCO.[O-]C(=O)COc1ccc(Cl)cc1Cl
inchi:
InChI=1/C8H6Cl2O3.C6H15NO3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;8-4-1-7(2-5-9)3-6-10/h1-3H,4H2,(H,11,12);8-10H,1-6H2


name: Nonivamide
cas: 2444-46-4
chebiid: CHEBI:46936
chemspiderid: 2891
dtxsid: DTXSID1034769
formula: C17H27N1O3
inchikey: RGOVYLWUIBMPGK-UHFFFAOYSA-N
norman_susdat_id: NS00002166
pubchem_cid: 2998
smiles: CCCCCCCCC(=O)NCc1ccc(O)c(OC)c1
inchi:
InChI=1S/C17H27NO3/c1-3-4-5-6-7-8-9-17(20)18-13-14-10-11-15(19)16(12-14)21-2/h10-12,19H,3-9,13H2,1-2H3,(H,18,20)


name: Disodium 4,4'-isopropylidenediphenolate
cas: 2444-90-8
formula: C15H16O2.2Na
inchikey: WGMBWDBRVAKMOO-UHFFFAOYSA-L
norman_susdat_id: NS00082799
smiles: [Na+].[Na+].CC(C)(c1ccc([O-])cc1)c2ccc([O-])cc2
inchi:
InChI=1/C15H16O2.2Na/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12;;/h3-10,16-17H,1-2H3;;/q;2*+1/p-2


name: Didodecylammonium bromide
cas: 24447-63-0
formula: C24H51N.BrH
inchikey: UNAFTICPPXVTTN-UHFFFAOYSA-N
norman_susdat_id: NS00083847
smiles: [Br-].CCCCCCCCCCCC[NH2+]CCCCCCCCCCCC
inchi:
InChI=1/C24H51N.BrH/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;/h25H,3-24H2,1-2H3;1H


name: (1-methylethylidene)bis[4,1-phenyleneoxy(1-methyl-2,1-ethanediyl)] bismethacrylate
cas: 24447-72-1
dtxsid: DTXSID90947314
formula: C29H36O6
inchikey: PPQQLTZAHODMPQ-UHFFFAOYSA-N
norman_susdat_id: NS00050559
pubchem_cid: 91183
smiles: O=C(OC(C)COC1=CC=C(C=C1)C(C2=CC=C(OCC(OC(=O)C(=C)C)C)C=C2)(C)C)C(=C)C
inchi:
InChI=1/C29H36O6/c1-19(2)27(30)34-21(5)17-32-25-13-9-23(10-14-25)29(7,8)24-11-15-26(16-12-24)33-18-22(6)35-28(31)20(3)4/h9-16,21-22H,1,3,17-18H2,2,4-8H3


name: Bisphenol A bis(2-hydroxyethyl ether) diacrylate
cas: 24447-78-7
chebiid: CHEBI:79722
chemspiderid: 81713
dtxsid: DTXSID6066991
formula: C25H28O6
inchikey: XWUNIDGEMNBBAQ-UHFFFAOYSA-N
norman_susdat_id: NS00020610
pubchem_cid: 90504
smiles: CC(C)(c1ccc(OCCOC(=O)C=C)cc1)c1ccc(OCCOC(=O)C=C)cc1
inchi:
InChI=1S/C25H28O6/c1-5-23(26)30-17-15-28-21-11-7-19(8-12-21)25(3,4)20-9-13-22(14-10-20)29-16-18-31-24(27)6-2/h5-14H,1-2,15-18H2,3-4H3


name: 1,1'-[(phenylimino)diethylene]dipyridinium dichloride
cas: 24447-83-4
dtxsid: DTXSID50947315
formula: C20H23N3
inchikey: XTXUAGNSSCJYIN-UHFFFAOYSA-L
norman_susdat_id: NS00049840
pubchem_cid: 53435774
smiles: [Cl-].[Cl-].C=1C=CC(=CC1)N(CC[N+]=2C=CC=CC2)CC[N+]=3C=CC=CC3
inchi:
InChI=1/C20H23N3.2ClH/c1-4-10-20(11-5-1)23(18-16-21-12-6-2-7-13-21)19-17-22-14-8-3-9-15-22;;/h1-15H,16-19H2;2*1H/q+2;;/p-2


name: 1,1'-[[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]diethylene]dipyridinium dichloride
cas: 24447-84-5
dtxsid: DTXSID10947316
formula: C26H26ClN6O2
inchikey: CVHSDIJHBNSTKY-UHFFFAOYSA-L
norman_susdat_id: NS00049904
pubchem_cid: 56843391
smiles: [Cl-].[Cl-].O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2)N(CC[N+]=3C=CC=CC3)CC[N+]=4C=CC=CC4)C(Cl)=C1
inchi:
InChI=1/C26H25ClN6O2.2ClH/c27-25-21-24(33(34)35)11-12-26(25)29-28-22-7-9-23(10-8-22)32(19-17-30-13-3-1-4-14-30)20-18-31-15-5-2-6-16-31;;/h1-16,21H,17-20H2;2*1H/q+2;;/p-2


name: 4-ethyl-2-heptadecyl-2-oxazoline-4-methanol
cas: 24448-04-2
dtxsid: DTXSID30885266
formula: C23H45NO2
inchikey: ZFRHGYULKOIOBB-UHFFFAOYSA-N
norman_susdat_id: NS00049905
pubchem_cid: 91184
smiles: OCC1(N=C(OC1)CCCCCCCCCCCCCCCCC)CC
inchi:
InChI=1/C23H45NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-24-23(4-2,20-25)21-26-22/h25H,3-21H2,1-2H3


name: N-Methyl-N-(2-hydroxyethyl)perfluorooctanesulfonamide
cas: 24448-09-7
chemspiderid: 81716
dtxsid: DTXSID7027831
formula: C11H8F17N1O3S1
inchikey: PLGACQRCZCVKGK-UHFFFAOYSA-N
norman_susdat_id: NS00011320
pubchem_cid: 90507
smiles: C(N([S](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)(=O)=O)C)CO
inchi:
InChI=1S/C11H8F17NO3S/c1-29(2-3-30)33(31,32)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h30H,2-3H2,1H3


name: Bisphenol A bis(2-hydroxyethyl ether) dimethacrylate
cas: 24448-20-2
chemspiderid: 81717
dtxsid: DTXSID1066992
formula: C27H32O6
inchikey: VIYWVRIBDZTTMH-UHFFFAOYSA-N
norman_susdat_id: NS00019428
pubchem_cid: 90508
smiles: CC(=C)C(=O)OCCOc1ccc(cc1)C(C)(C)c1ccc(OCCOC(=O)C(=C)C)cc1
inchi:
InChI=1S/C27H32O6/c1-19(2)25(28)32-17-15-30-23-11-7-21(8-12-23)27(5,6)22-9-13-24(14-10-22)31-16-18-33-26(29)20(3)4/h7-14H,1,3,15-18H2,2,4-6H3


name: Sodium 1-amino-4-[4-(2-chloroacetamido)anilino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphate
cas: 24448-60-0
formula: C22H16ClN3O6S.Na
inchikey: IMCFOGGSTQCWBU-UHFFFAOYSA-M
norman_susdat_id: NS00083571
smiles: Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(NC(=O)CCl)cc4)cc1S(=O)(=O)O[Na]
inchi:
InChI=1/C22H16ClN3O6S.Na/c23-10-17(27)26-12-7-5-11(6-8-12)25-15-9-16(33(30,31)32)20(24)19-18(15)21(28)13-3-1-2-4-14(13)22(19)29;/h1-9,25H,10,24H2,(H,26,27)(H,30,31,32);/q;+1/p-1/rC22H15ClN3NaO6S/c23-10-17(28)26-12-7-5-11(6-8-12)25-15-9-16(34(31,32)33-27)20(24)19-18(15)21(29)13-3-1-2-4-14(13)22(19)30/h1-9,25H,10,24H2,(H,26,28)


name: N-[4-hydroxy-3-(1-oxo-3-phenylallyl)phenyl]acetamide
cas: 24449-58-9
dtxsid: DTXSID90947319
formula: C17H15NO3
inchikey: PQOXQUOIPRIKBV-VQHVLOKHSA-N
norman_susdat_id: NS00049907
pubchem_cid: 5708884
smiles: O=C(C=CC=1C=CC=CC1)C2=CC(=CC=C2O)NC(=O)C
inchi:
InChI=1/C17H15NO3/c1-12(19)18-14-8-10-17(21)15(11-14)16(20)9-7-13-5-3-2-4-6-13/h2-11,21H,1H3,(H,18,19)


name: Dehydrochloromethyltestosterone
cas: 2446-23-3
dtxsid: DTXSID10179216
formula: C20H27ClO2
inchikey: AGUNEISBPXQOPA-UHFFFAOYSA-N
norman_susdat_id: NS00067040
smiles: CC12CCC3C(C1CCC2(C)O)CCC4=C(C(=O)C=CC34C)Cl
inchi:
InChI=1S/C20H27ClO2/c1-18-9-8-16(22)17(21)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h8-9,12-14,23H,4-7,10-11H2,1-3H3


name: Glucodigifucoside
cas: 2446-63-1
chemspiderid: 164965
formula: C35H54O13
inchikey: OQZGLOBKVNEEPK-HYYJYYHTSA-N
norman_susdat_id: NS00093811
pubchem_cid: 144626
smiles:
C[C@H]1C([C@H]([C@@H](C(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)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O


name: 2'-amino-6'-(diethylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
cas: 24460-06-8
dtxsid: DTXSID50885268
formula: C24H22N2O3
inchikey: MBOWATUGNDUMSN-UHFFFAOYSA-N
norman_susdat_id: NS00050615
pubchem_cid: 91189
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC=C(N)C=C42)N(CC)CC)C=5C=CC=CC15
inchi:
InChI=1/C24H22N2O3/c1-3-26(4-2)16-10-11-19-22(14-16)28-21-12-9-15(25)13-20(21)24(19)18-8-6-5-7-17(18)23(27)29-24/h5-14H,3-4,25H2,1-2H3


name: 6'-(diethylamino)-2'-(methylamino)spiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
cas: 24460-07-9
dtxsid: DTXSID70947337
formula: C25H24N2O3
inchikey: YDRFEYUCIQSKNK-UHFFFAOYSA-N
norman_susdat_id: NS00049289
pubchem_cid: 91190
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC=C(C=C42)NC)N(CC)CC)C=5C=CC=CC15
inchi:
InChI=1/C25H24N2O3/c1-4-27(5-2)17-11-12-20-23(15-17)29-22-13-10-16(26-3)14-21(22)25(20)19-9-7-6-8-18(19)24(28)30-25/h6-15,26H,4-5H2,1-3H3


name: Luotonin F
cas: 244616-85-1
chemspiderid: 9945745
formula: C18H11N3O2
inchikey: HSEIGGKZBVNIDH-UHFFFAOYSA-N
norman_susdat_id: NS00018056
pubchem_cid: 11771062
smiles: C1=CC=C2C(=C1)C=C(C=N2)C(=O)C3=NC(=O)C4=CC=CC=C4N3
inchi:
InChI=1S/C18H11N3O2/c22-16(12-9-11-5-1-3-7-14(11)19-10-12)17-20-15-8-4-2-6-13(15)18(23)21-17/h1-10H,(H,20,21,23)


name: 3-((4-(Cyclohexylamino)-9,10-dihydro-9,10-dioxoanthryl)amino)-N-phenylpropionamide
cas: 24464-64-0
chemspiderid: 81724
dtxsid: DTXSID00179225
formula: C29H29N3O3
inchikey: BSGWMUMCNMCWCW-UHFFFAOYSA-N
norman_susdat_id: NS00027669
pubchem_cid: 90515
smiles: O=C(CCNc1c2C(=O)c3c(cccc3)C(=O)c2c(NC2CCCCC2)cc1)Nc1ccccc1
inchi:
InChI=1S/C29H29N3O3/c33-25(32-20-11-5-2-6-12-20)17-18-30-23-15-16-24(31-19-9-3-1-4-10-19)27-26(23)28(34)21-13-7-8-14-22(21)29(27)35/h2,5-8,11-16,19,30-31H,1,3-4,9-10,17-18H2,(H,32,33)


name: Heptyl stearate
cas: 24466-84-0
chemspiderid: 81725
dtxsid: DTXSID20179227
formula: C25H50O2
inchikey: HIKYVKDNGAULJV-UHFFFAOYSA-N
norman_susdat_id: NS00027670
pubchem_cid: 90516
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCCCCCC
inchi:
InChI=1S/C25H50O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-23-25(26)27-24-22-20-8-6-4-2/h3-24H2,1-2H3


name: Sanguinarine
cas: 2447-54-3
chebiid: CHEBI:17183
chemspiderid: 4970
dtxsid: DTXSID0045204
formula: C20H14N1O4
inchikey: INVGWHRKADIJHF-UHFFFAOYSA-N
norman_susdat_id: NS00018310
pubchem_cid: 5154
smiles: C[N+]1=C2C(=C3C=CC4=C(C3=C1)OCO4)C=CC5=CC6=C(C=C52)OCO6
inchi:
InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1


name: Sulfadoxine
cas: 2447-57-6
chebiid: CHEBI:9329
chemspiderid: 16218
dtxsid: DTXSID6023608
formula: C12H14N4O4S1
inchikey: PJSFRIWCGOHTNF-UHFFFAOYSA-N
norman_susdat_id: NS00008538
pubchem_cid: 17134
smiles: COc1ncnc(NS(=O)(=O)c2ccc(N)cc2)c1OC
inchi:
InChI=1S/C12H14N4O4S/c1-19-10-11(14-7-15-12(10)20-2)16-21(17,18)9-5-3-8(13)4-6-9/h3-7H,13H2,1-2H3,(H,14,15,16)


name: Isopropyltriphenylphosphonium iodide
cas: 24470-78-8
dtxsid: DTXSID80947368
formula: C21H22P
inchikey: HHBXWXJLQYJJBW-UHFFFAOYSA-M
norman_susdat_id: NS00050616
pubchem_cid: 2723783
smiles: [I-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)C(C)C
inchi:
InChI=1/C21H22P.HI/c1-18(2)22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h3-18H,1-2H3;1H/q+1;/p-1


name: 4-Phenyl-1-(p-tolylsulphonyl)piperidine-4-carbonitrile
cas: 24476-55-9
chemspiderid: 22198
dtxsid: DTXSID80179243
formula: C19H20N2O2S1
inchikey: RQTVIKMRXYJTDX-UHFFFAOYSA-N
norman_susdat_id: NS00027674
pubchem_cid: 90520
smiles: Cc1ccc(cc1)S(=O)(=O)N1CCC(CC1)(C#N)c1ccccc1
inchi:
InChI=1S/C19H20N2O2S/c1-16-7-9-18(10-8-16)24(22,23)21-13-11-19(15-20,12-14-21)17-5-3-2-4-6-17/h2-10H,11-14H2,1H3


name: Dapivirine
cas: 244767-67-7
dtxsid: DTXSID40179244
formula: C20H19N5
inchikey: ILAYIAGXTHKHNT-UHFFFAOYSA-N
norman_susdat_id: NS00068137
pubchem_cid: 214347
smiles: Cc1cc(C)c(Nc2ccnc(Nc3ccc(C#N)cc3)n2)c(C)c1
inchi:
InChI=1S/C20H19N5/c1-13-10-14(2)19(15(3)11-13)24-18-8-9-22-20(25-18)23-17-6-4-16(12-21)5-7-17/h4-11H,1-3H3,(H2,22,23,24,25)


name: 1'-[4-(4-fluorophenyl)-4-oxobutyl][1,4'-bipiperidine]-4'-carboxamide dihydrochloride
cas: 2448-68-2
chebiid: CHEBI:32004
formula: C21H30FN3O2.2ClH
inchikey: BMXXSXQVMCXGJM-UHFFFAOYSA-N
norman_susdat_id: NS00082800
smiles: Cl.Cl.NC(=O)C1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)N3CCCCC3
inchi:
InChI=1/C21H30FN3O2.2ClH/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);2*1H


name: N-[2-[(4-chlorophenyl)methylamino]ethyl]benzamide
cas: 24483-44-1
dtxsid: DTXSID20947382
formula: C16H17ClN2O
inchikey: ODAVENSIVQSUOM-UHFFFAOYSA-N
norman_susdat_id: NS00049290
pubchem_cid: 21116628
smiles: O=C(NCCNCC1=CC=C(Cl)C=C1)C=2C=CC=CC2
inchi:
InChI=1/C16H17ClN2O/c17-15-8-6-13(7-9-15)12-18-10-11-19-16(20)14-4-2-1-3-5-14/h1-9,18H,10-12H2,(H,19,20)


name: N-[1-[4-(aminosulphonyl)phenyl]ethyl]-5-methylisoxazole-3-carboxamide
cas: 24488-95-7
dtxsid: DTXSID60947386
formula: C13H15N3O4S
inchikey: HIPMCUXNGJSHNU-UHFFFAOYSA-N
norman_susdat_id: NS00050617
pubchem_cid: 17553254
smiles: O=C(NC(C1=CC=C(C=C1)S(=O)(=O)N)C)C2=NOC(=C2)C
inchi:
InChI=1/C13H15N3O4S/c1-8-7-12(16-20-8)13(17)15-9(2)10-3-5-11(6-4-10)21(14,18)19/h3-7,9H,1-2H3,(H,15,17)(H2,14,18,19)


name: Dibenzyl diazene-1,2-dicarboxylate
cas: 2449-05-0
chemspiderid: 68082
dtxsid: DTXSID3044887
formula: C16H14N2O4
inchikey: IRJKSAIGIYODAN-UHFFFAOYSA-N
norman_susdat_id: NS00021922
pubchem_cid: 75557
smiles: O=C(OCc1ccccc1)N=NC(=O)OCc1ccccc1
inchi:
InChI=1S/C16H14N2O4/c19-15(21-11-13-7-3-1-4-8-13)17-18-16(20)22-12-14-9-5-2-6-10-14/h1-10H,11-12H2/b18-17-


name: Dihexyl sebacate
cas: 2449-10-7
dtxsid: DTXSID10179251
formula: C22H42O4
inchikey: GQIDSVPVVYHXAP-UHFFFAOYSA-N
norman_susdat_id: NS00047726
pubchem_cid: 75558
smiles: O=C(OCCCCCC)CCCCCCCCC(=O)OCCCCCC
inchi:
InChI=1/C22H42O4/c1-3-5-7-15-19-25-21(23)17-13-11-9-10-12-14-18-22(24)26-20-16-8-6-4-2/h3-20H2,1-2H3


name: Estra-1,3,5(10),7-tetraene-3,17ß-diol 3-acetate
cas: 24508-01-8
dtxsid: DTXSID40947400
formula: C20H24O3
inchikey: RVWUTTUZKJOUDV-GTAWCEEGSA-N
norman_susdat_id: NS00050618
pubchem_cid: 15391336
smiles: O=C(OC1=CC=C2C(=C1)CC=C3C2CCC4(C)C(O)CCC34)C
inchi:
InChI=1/C20H24O3/c1-12(21)23-14-4-6-15-13(11-14)3-5-17-16(15)9-10-20(2)18(17)7-8-19(20)22/h4-6,11,16,18-19,22H,3,7-10H2,1-2H3


name: Tetrabutyl benzene-1,2,4,5-tetracarboxylate
cas: 2451-79-8
chemspiderid: 68085
dtxsid: DTXSID80179263
formula: C26H38O8
inchikey: REPPSPNSOPYUCD-UHFFFAOYSA-N
norman_susdat_id: NS00027680
pubchem_cid: 75560
smiles: CCCCOC(=O)c1cc(C(=O)OCCCC)c(cc1C(=O)OCCCC)C(=O)OCCCC
inchi:
InChI=1S/C26H38O8/c1-5-9-13-31-23(27)19-17-21(25(29)33-15-11-7-3)22(26(30)34-16-12-8-4)18-20(19)24(28)32-14-10-6-2/h17-18H,5-16H2,1-4H3


name: Hexanedioic acid, bis(phenylmethyl) ester
cas: 2451-84-5
chemspiderid: 68086
dtxsid: DTXSID5062427
formula: C20H22O4
inchikey: AEUORZZHALJMBM-UHFFFAOYSA-N
norman_susdat_id: NS00021923
pubchem_cid: 75561
smiles: O=C(CCCCC(=O)OCc1ccccc1)OCc1ccccc1
inchi:
InChI=1S/C20H22O4/c21-19(23-15-17-9-3-1-4-10-17)13-7-8-14-20(22)24-16-18-11-5-2-6-12-18/h1-6,9-12H,7-8,13-16H2


name: Lidorestat
cas: 245116-90-9
dtxsid: DTXSID40179264
formula: C18H11F3N2O2S
inchikey: KYHVTMFADJNSGS-UHFFFAOYSA-N
norman_susdat_id: NS00068310
pubchem_cid: 157839
smiles: O=C(O)Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc21
inchi:
InChI=1S/C18H11F3N2O2S/c19-11-6-12(20)18-17(16(11)21)22-14(26-18)5-9-7-23(8-15(24)25)13-4-2-1-3-10(9)13/h1-4,6-7H,5,8H2,(H,24,25)


name: Cholest-5-en-3ß-yl (Z)-13-docosenoate
cas: 24516-39-0
chebiid: CHEBI:169898
formula: C49H86O2
inchikey: SQHUGNAFKZZXOT-QXAJUEOOSA-N
norman_susdat_id: NS00050619
pubchem_cid: 16219158
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C49H86O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-29-47(50)51-42-34-36-48(5)41(38-42)30-31-43-45-33-32-44(40(4)28-26-27-39(2)3)49(45,6)37-35-46(43)48/h14-15,30,39-40,42-46H,7-13,16-29,31-38H2,1-6H3


cas: 24520-19-2
chemspiderid: 81734
dtxsid: DTXSID60865157
formula: C11F14O2
inchi: InChI=1S/C11F14O2/c12-1-2(13)4(15)6(5(16)3(1)14)26-9(20,10(21,22)23)11(24,25)27-8(19)7(17)18
inchikey: QYMQYPBAGDZNMY-UHFFFAOYSA-N
norman_susdat_id: NS00011377
pubchem_cid: 90525
smiles: C1(=C(F)C(=C(C(=C1F)F)OC(F)(C(F)(F)OC(F)=C(F)F)C(F)(F)F)F)F
name:
Benzene, 1-(1-(difluoro((1,2,2-trifluoroethenyl)oxy)methyl)-1,2,2,2-tetrafluoroethoxy)-2,3,4,5,6-pentafluoro-


name: 1,2,3,4-tetrahydro-2-methyl-4-phenylisoquinolin-8-amine maleate
cas: 24524-90-1
formula: C16H18N2.xC4H4O4
inchikey: GEOCVSMCLVIOEV-BTJKTKAUSA-N
norman_susdat_id: NS00083884
smiles: CN1CC(c2ccccc2)c3cccc(N)c3C1.OC(=O)\C=C/C(=O)O
inchi:
InChI=1/C16H18N2.C4H4O4/c1-18-10-14(12-6-3-2-4-7-12)13-8-5-9-16(17)15(13)11-18;5-3(6)1-2-4(7)8/h2-9,14H,10-11,17H2,1H3;1-2H,(H,5,6)(H,7,8)


name: Spiclomazine
cas: 24527-27-3
chebiid: CHEBI:135727
chemspiderid: 59138
dtxsid: DTXSID9043851
formula: C22H24Cl1N3O1S2
inchikey: CFOYBMUYCBSDAL-UHFFFAOYSA-N
norman_susdat_id: NS00027682
pubchem_cid: 65714
smiles: Clc1cc2c(Sc3c(cccc3)N2CCCN2CCC3(CC2)NC(=O)CS3)cc1
inchi:
InChI=1S/C22H24ClN3OS2/c23-16-6-7-20-18(14-16)26(17-4-1-2-5-19(17)29-20)11-3-10-25-12-8-22(9-13-25)24-21(27)15-28-22/h1-2,4-7,14H,3,8-13,15H2,(H,24,27)


name: Barium 2-[(2-oxido-1-naphthyl)azo]naphthalene-1-sulphonate
cas: 24530-53-8
formula: C20H14N2O4S.Ba
inchikey: OHGPMABFLSIKFV-UHFFFAOYSA-L
norman_susdat_id: NS00083579
smiles: O=S1(=O)O[Ba]Oc2ccc3ccccc3c2N=Nc4ccc5ccccc5c14
inchi:
InChI=1/C20H14N2O4S.Ba/c23-18-12-10-13-5-1-3-7-15(13)19(18)22-21-17-11-9-14-6-2-4-8-16(14)20(17)27(24,25)26;/h1-12,23H,(H,24,25,26);/q;+2/p-2/rC20H12BaN2O4S/c24-28(25)20-16-8-4-2-6-14(16)9-11-17(20)22-23-19-15-7-3-1-5-13(15)10-12-18(19)26-21-27-28/h1-12H


name: Acetamide, N-[3-[bis(2-hydroxyethyl)amino]-4-methoxyphenyl]-
cas: 24530-67-4
chemspiderid: 79443
dtxsid: DTXSID6066997
formula: C13H20N2O4
inchikey: UIQVGOZJVVAPOV-UHFFFAOYSA-N
norman_susdat_id: NS00027683
pubchem_cid: 90529
smiles: COc1c(cc(NC(=O)C)cc1)N(CCO)CCO
inchi:
InChI=1S/C13H20N2O4/c1-10(18)14-11-3-4-13(19-2)12(9-11)15(5-7-16)6-8-17/h3-4,9,16-17H,5-8H2,1-2H3,(H,14,18)


cas: 245331-40-2
dtxsid: DTXSID10883003
norman_susdat_id: NS00109288
name:
Poly(difluoromethylene), .alpha.,.alpha.'-[phosphinicobis(oxy-2,1-ethanediyl)]bis[.omega.-fluoro-, sodium salt (1:1)


name: Hexyl hydrogen phthalate
cas: 24539-57-9
chebiid: CHEBI:132604
dtxsid: DTXSID40947420
formula: C14H18O4
inchikey: XOSNGXNHDRYFEF-UHFFFAOYSA-N
norman_susdat_id: NS00049909
pubchem_cid: 90532
smiles: O=C(O)C=1C=CC=CC1C(=O)OCCCCCC
inchi:
InChI=1/C14H18O4/c1-2-3-4-7-10-18-14(17)12-9-6-5-8-11(12)13(15)16/h5-6,8-9H,2-4,7,10H2,1H3,(H,15,16)


name: Nonyl hydrogen phthalate
cas: 24539-59-1
chemspiderid: 81740
dtxsid: DTXSID20179282
formula: C17H24O4
inchikey: LNKHFECVVLVFFE-UHFFFAOYSA-N
norman_susdat_id: NS00027686
pubchem_cid: 90533
smiles: CCCCCCCCCOC(=O)c1c(cccc1)C(=O)O
inchi:
InChI=1S/C17H24O4/c1-2-3-4-5-6-7-10-13-21-17(20)15-12-9-8-11-14(15)16(18)19/h8-9,11-12H,2-7,10,13H2,1H3,(H,18,19)


name: Decyl hydrogen phthalate
cas: 24539-60-4
formula: C18H26O4
inchikey: FEFCILUKYGHITK-UHFFFAOYSA-N
norman_susdat_id: NS00083885
smiles: CCCCCCCCCCOC(=O)c1ccccc1C(=O)O
inchi:
InChI=1/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: Formebolone
cas: 2454-11-7
chebiid: CHEBI:135456
dtxsid: DTXSID60179286
formula: C21H28O4
inchikey: AMVODTGMYSRMNP-GNIMZFFESA-N
norman_susdat_id: NS00047727
pubchem_cid: 17150
smiles: O=CC1=CC2(C(=CC1=O)CCC3C4CCC(O)(C)C4(C)CC(O)C32)C
inchi:
InChI=1/C21H28O4/c1-19-9-12(11-22)16(23)8-13(19)4-5-14-15-6-7-21(3,25)20(15,2)10-17(24)18(14)19/h8-9,11,14-15,17-18,24-25H,4-7,10H2,1-3H3


name: CI 45396
cas: 24545-86-6
chemspiderid: 81744
dtxsid: DTXSID80179288
formula: C20H10N2O9
inchikey: RYCIBGACBRAXBM-UHFFFAOYSA-N
norman_susdat_id: NS00013515
pubchem_cid: 90537
smiles: Oc1ccc2c(Oc3c(ccc(O)c3[N+]([O-])=O)C24OC(=O)c5ccccc45)c1[N+]([O-])=O
inchi:
InChI=1S/C20H10N2O9/c23-13-7-5-11-17(15(13)21(26)27)30-18-12(6-8-14(24)16(18)22(28)29)20(11)10-4-2-1-3-9(10)19(25)31-20/h1-8,23-24H


name: 3,3',5,5'-Tetra-tert-butyl-4,4'-dibenzoquinone
cas: 2455-14-3
chemspiderid: 65410
dtxsid: DTXSID10179291
formula: C28H40O2
inchikey: GQIGHOCYKUBBOE-UHFFFAOYSA-N
norman_susdat_id: NS00027688
pubchem_cid: 225283
smiles: CC(C)(C)C1=CC(=C2C=C(C(=O)C(=C2)C(C)(C)C)C(C)(C)C)C=C(C1=O)C(C)(C)C
inchi:
InChI=1S/C28H40O2/c1-25(2,3)19-13-17(14-20(23(19)29)26(4,5)6)18-15-21(27(7,8)9)24(30)22(16-18)28(10,11)12/h13-16H,1-12H3


name: Benzene, 1,3-bis(3-phenoxyphenoxy)-
cas: 2455-71-2
chemspiderid: 68090
dtxsid: DTXSID5062429
formula: C30H22O4
inchikey: KOKDSALTQSQPDH-UHFFFAOYSA-N
norman_susdat_id: NS00021925
pubchem_cid: 75565
smiles: O(c1ccccc1)c1cc(Oc2cc(Oc3cc(Oc4ccccc4)ccc3)ccc2)ccc1
inchi:
InChI=1S/C30H22O4/c1-3-10-23(11-4-1)31-25-14-7-16-27(20-25)33-29-18-9-19-30(22-29)34-28-17-8-15-26(21-28)32-24-12-5-2-6-13-24/h1-22H


name: Levophacetoperane
cas: 24558-01-8
chemspiderid: 59139
dtxsid: DTXSID50179295
formula: C14H19NO2
inchikey: BKPLVPRTTWIDNL-KBPBESRZSA-N
norman_susdat_id: NS00114048
pubchem_cid: 65715
smiles: CC(=O)O[C@H]([C@@H]1CCCCN1)C1=CC=CC=C1
inchi:
InChI=1S/C14H19NO2/c1-11(16)17-14(12-7-3-2-4-8-12)13-9-5-6-10-15-13/h2-4,7-8,13-15H,5-6,9-10H2,1H3/t13-,14-/m0/s1


name: Indolyl-3-aspartic acid
cas: 2456-73-7
chebiid: CHEBI:21484
chemspiderid: 393931
dtxsid: DTXSID30179298
formula: C14H14N2O5
inchikey: VAFNMNRKDDAKRM-NSHDSACASA-N
norman_susdat_id: NS00014850
pubchem_cid: 446620
smiles: O=C(O)CC(C(=O)O)NC(=O)Cc2c1ccccc1nc2
inchi:
InChI=1S/C14H14N2O5/c17-12(16-11(14(20)21)6-13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6H2,(H,16,17)(H,18,19)(H,20,21)/t11-/m0/s1


name: Ethinylestradiol-3-sulfate
cas: 24560-70-1
chemspiderid: 26502289
dtxsid: DTXSID80873219
formula: C20H24O5S1
inchikey: WLGIWVFFGMPRLM-UHFFFAOYSA-N
norman_susdat_id: NS00002974
pubchem_cid: 53461774
smiles: CC12CCC3C(CCc4cc(OS(O)(=O)=O)ccc34)C1CCC2(O)C#C
inchi:
InChI=1S/C20H24O5S/c1-3-20(21)11-9-18-17-6-4-13-12-14(25-26(22,23)24)5-7-15(13)16(17)8-10-19(18,20)2/h1,5,7,12,16-18,21H,4,6,8-11H2,2H3,(H,22,23,24)


name: Piperocaine hydrochloride
cas: 24561-10-2
formula: C16H23NO2.ClH
inchikey: ZXSGQNYQJIUMQN-UHFFFAOYSA-N
norman_susdat_id: NS00083919
smiles: Cl.CC1CCCCN1CCCOC(=O)c2ccccc2
inchi:
InChI=1/C16H23NO2.ClH/c1-14-8-5-6-11-17(14)12-7-13-19-16(18)15-9-3-2-4-10-15;/h2-4,9-10,14H,5-8,11-13H2,1H3;1H


name: 2-[2,2,3,3,4,4,5,5,6,7,7,7-dodecafluoro-6-(trifluoromethyl)heptyl]oxirane
cas: 24564-77-0
dtxsid: DTXSID80379908
formula: C10H5F15O
inchikey: NSHDLZDDSBGOKN-UHFFFAOYSA-N
norman_susdat_id: NS00111571
smiles: FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC1CO1
inchi:
InChI=1S/C10H5F15O/c11-4(12,1-3-2-26-3)6(14,15)8(18,19)7(16,17)5(13,9(20,21)22)10(23,24)25/h3H,1-2H2


name: 4,4',4''-[(2-methoxy-4,6-dimethylbenzene-1,3,5-triyl)tris(methylene)]tris[2,6-di-tert-butylphenol]
cas: 24564-79-2
dtxsid: DTXSID00894820
formula: C54H78O4
inchikey: QDSWELIUCPGYMD-UHFFFAOYSA-N
norman_susdat_id: NS00049952
pubchem_cid: 71436346
inchi:
InChI=1/C54H78O4/c1-31-36(22-33-25-39(49(3,4)5)45(55)40(26-33)50(6,7)8)32(2)38(24-35-29-43(53(15,16)17)47(57)44(30-35)54(18,19)20)48(58-21)37(31)23-34-27-41(51(9,10)11)46(56)42(28-34)52(12,13)14/h25-30,55-57H,22-24H2,1-21H3

smiles:
OC=1C(=CC(=CC1C(C)(C)C)CC=2C(OC)=C(C(=C(C2C)CC=3C=C(C(O)=C(C3)C(C)(C)C)C(C)(C)C)C)CC=4C=C(C(O)=C(C4)C(C)(C)C)C(C)(C)C)C(C)(C)C


name: C.I. Fluorescent Brightener 208
cas: 24565-13-7
chemspiderid: 5020990
dtxsid: DTXSID0067000
formula: C36H36N12O6S2
inchikey: HCPYVPARJNWQLE-FOCLMDBBSA-N
norman_susdat_id: NS00013614
pubchem_cid: 6538166
inchi:
InChI=1S/C36H36N12O6S2.2Na/c1-3-37-31-43-33(39-25-11-7-5-8-12-25)47-35(45-31)41-27-19-17-23(29(21-27)55(49,50)51)15-16-24-18-20-28(22-30(24)56(52,53)54)42-36-46-32(38-4-2)44-34(48-36)40-26-13-9-6-10-14-26;;/h5-22H,3-4H2,1-2H3,(H,49,50,51)(H,52,53,54)(H3,37,39,41,43,45,47)(H3,38,40,42,44,46,48);;/q;2*+1/p-2/b16-15+;;

smiles:
[Na+].[Na+].CCNc1nc(Nc2ccccc2)nc(Nc3ccc(C=Cc4ccc(Nc5nc(NCC)nc(Nc6ccccc6)n5)cc4[S]([O-])(=O)=O)c(c3)[S]([O-])(=O)=O)n1


cas: 245765-41-7
chebiid: CHEBI:136050
dtxsid: DTXSID00947446
formula: C21H21N3O3
inchikey: XPIJWUTXQAGSLK-UHFFFAOYSA-N
norman_susdat_id: NS00068478
smiles: CNc1ncc(-c2ccc3c(=O)c(C(=O)O)cn(C4CC4)c3c2C)cc1C
name:
1-Cyclopropyl-8-methyl-7-[5-methyl-6-(methylimino)-1,6-dihydropyridin-3-yl]-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

inchi:
InChI=1S/C21H21N3O3/c1-11-8-13(9-23-20(11)22-3)15-6-7-16-18(12(15)2)24(14-4-5-14)10-17(19(16)25)21(26)27/h6-10,14H,4-5H2,1-3H3,(H,22,23)(H,26,27)


name: Bis[(2-ethyl-1-oxohexyl)oxy]dioctylstannane
cas: 24577-34-2
formula: C32H64O4Sn
inchikey: QHZLCTYHMCNIMS-UHFFFAOYSA-L
norman_susdat_id: NS00050683
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)C(CC)CCCC)(CCCCCCCC)CCCCCCCC)C(CC)CCCC
inchi:
InChI=1/2C8H16O2.2C8H17.Sn/c2*1-3-5-6-7(4-2)8(9)10;2*1-3-5-7-8-6-4-2;/h2*7H,3-6H2,1-2H3,(H,9,10);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC32H64O4Sn/c1-7-13-17-19-21-23-27-37(28-24-22-20-18-14-8-2,35-31(33)29(11-5)25-15-9-3)36-32(34)30(12-6)26-16-10-4/h29-30H,7-28H2,1-6H3


name: Bis[N,N'-diphenylguanidinium] oxalate
cas: 24577-43-3
formula: C13H13N3.1/2C2H2O4
inchikey: XLABCRFCZMMHAK-UHFFFAOYSA-N
norman_susdat_id: NS00083921
smiles: [O-]C(=O)C(=O)[O-].N=C(Nc1ccccc1)[NH2+]c2ccccc2.N=C(Nc3ccccc3)[NH2+]c4ccccc4
inchi:
InChI=1/2C13H13N3.C2H2O4/c2*14-13(15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;3-1(4)2(5)6/h2*1-10H,(H3,14,15,16);(H,3,4)(H,5,6)


name: Methyl 3-methyl-2-(methylthio)-6-nitrobenzothiazolium sulphate
cas: 2458-05-1
dtxsid: DTXSID10947452
formula: C9H10N2O2S2
inchikey: UHXYAEXVNYMRKZ-UHFFFAOYSA-M
norman_susdat_id: NS00045466
pubchem_cid: 21144446
smiles: O=[N+]([O-])C=1C=CC2=C(SC(SC)=[N+]2C)C1.O=S(=O)([O-])OC
inchi:
InChI=1/C9H9N2O2S2.CH4O4S/c1-10-7-4-3-6(11(12)13)5-8(7)15-9(10)14-2;1-5-6(2,3)4/h3-5H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 2459-82-7
dtxsid: DTXSID90947475
formula: C45H21N3O4
inchikey: KCANGUHHIFSUOJ-UHFFFAOYSA-N
norman_susdat_id: NS00046186
pubchem_cid: 20841576
name:
3-[(9,10-dioxo-9,10-dihydro-1-anthryl)amino]-5,10-dihydroanthra[2,1,9-mna]benz[6,7]indazolo[2,3,4-fgh]acridine-5,10-dione

inchi:
InChI=1/C45H21N3O4/c49-42-27-7-2-1-6-25(27)40-39-32(42)17-15-26-24-14-16-31-36-23(18-19-35(38(24)36)48(47-40)41(26)39)22-13-12-21(20-33(22)44(31)51)46-34-11-5-10-30-37(34)45(52)29-9-4-3-8-28(29)43(30)50/h1-20,46H

smiles:
O=C1C=2C=CC=CC2C(=O)C=3C(=CC=CC13)NC4=CC=C5C6=CC=C7C=8C(=CC=C(C(=O)C5=C4)C68)C9=CC=C%10C(=O)C=%11C=CC=CC%11C%12=NN7C9=C%12%10


name: O-benzyl-L-histidine bis(toluene-p-sulphonate)
cas: 24593-59-7
formula: C13H15N3O2.2C7H8O3S
inchikey: FQHRMEOHSXSJBX-LTCKWSDVSA-N
norman_susdat_id: NS00083622
smiles: Cc1ccc(cc1)S(=O)(=O)O.Cc2ccc(cc2)S(=O)(=O)O.N[C@@H](Cc3c[nH]cn3)C(=O)OCc4ccccc4
inchi:
InChI=1/C13H15N3O2.2C7H8O3S/c14-12(6-11-7-15-9-16-11)13(17)18-8-10-4-2-1-3-5-10;2*1-6-2-4-7(5-3-6)11(8,9)10/h1-5,7,9,12H,6,8,14H2,(H,15,16);2*2-5H,1H3,(H,8,9,10)


cas: 246035-38-1
chemspiderid: 57454334
formula: C15H12N4O4S3
inchikey: OAMJLTUHASKYSM-UHFFFAOYSA-N
norman_susdat_id: NS00008863
pubchem_cid: 74600954
smiles: COC(=O)CON=C(C(=O)Sc1nc2ccccc2s1)c1csc(N)n1
name:
Methyl ({[(1Z)-1-(2-amino-1,3-thiazol-4-yl)-2-(1,3-benzothiazol-2-ylsulfanyl)-2-oxoethylidene]amino}oxy)acetate

inchi:
InChI=1S/C15H12N4O4S3/c1-22-11(20)6-23-19-12(9-7-24-14(16)17-9)13(21)26-15-18-8-4-2-3-5-10(8)25-15/h2-5,7H,6H2,1H3,(H2,16,17)


name: Avocadyne 1-acetate
cas: 24607-06-5
chebiid: CHEBI:168762
formula: C19H34O4
inchikey: JAKAZHIACKJNNB-UHFFFAOYSA-N
norman_susdat_id: NS00097450
smiles: CC(=O)OCC(CC(CCCCCCCCCCCC#C)O)O
inchi:
InChI=1S/C19H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-18(21)15-19(22)16-23-17(2)20/h1,18-19,21-22H,4-16H2,2H3


name: 4,4'-bis(2,3-epoxypropoxy)biphenyl
cas: 2461-46-3
dtxsid: DTXSID90947511
formula: C18H18O4
inchikey: OZRVXYJWUUMVOW-UHFFFAOYSA-N
norman_susdat_id: NS00046187
pubchem_cid: 102824
smiles: O(C=1C=CC(=CC1)C2=CC=C(OCC3OC3)C=C2)CC4OC4
inchi:
InChI=1/C18H18O4/c1-5-15(19-9-17-11-21-17)6-2-13(1)14-3-7-16(8-4-14)20-10-18-12-22-18/h1-8,17-18H,9-12H2


name: Benzonitrile, 2-[[4-[(2-cyanoethyl)(2-phenylethyl)amino]phenyl]azo]-5-nitro-
cas: 24610-00-2
chemspiderid: 81762
dtxsid: DTXSID0067006
formula: C24H20N6O2
inchikey: CWNHPGPSJLVQCK-UHFFFAOYSA-N
norman_susdat_id: NS00020285
pubchem_cid: 90555
smiles: [O-][N+](=O)c1cc(C#N)c(cc1)N=Nc1ccc(cc1)N(CCC#N)CCc1ccccc1
inchi:
InChI=1S/C24H20N6O2/c25-14-4-15-29(16-13-19-5-2-1-3-6-19)22-9-7-21(8-10-22)27-28-24-12-11-23(30(31)32)17-20(24)18-26/h1-3,5-12,17H,4,13,15-16H2/b28-27+


name: 9-Octadecen-1-ol, dihydrogen phosphate
cas: 24613-61-4
chemspiderid: 4940997
dtxsid: DTXSID5067007
formula: C18H37O4P1
inchikey: MEESPVWIOBCLJW-UHFFFAOYSA-N
norman_susdat_id: NS00021927
pubchem_cid: 82177
smiles: CCCCCCCC/C=C/CCCCCCCCOP(=O)(O)O
inchi:
InChI=1S/C18H37O4P/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,(H2,19,20,21)/b10-9+


name: Sodium 4-decyl hydrogen sulphonatosuccinate
cas: 24614-40-2
formula: C14H26O7S.Na
inchikey: PZBWSZNIZHNZKJ-UHFFFAOYSA-M
norman_susdat_id: NS00083896
smiles: [Na+].CCCCCCCCCCOC(=O)CC(C(=O)O)S(=O)(=O)[O-]
inchi:
InChI=1/C14H26O7S.Na/c1-2-3-4-5-6-7-8-9-10-21-13(15)11-12(14(16)17)22(18,19)20;/h12H,2-11H2,1H3,(H,16,17)(H,18,19,20);/q;+1/p-1


name: Disodium 4-octadecyl 2-sulphonatosuccinate
cas: 24614-51-5
dtxsid: DTXSID90947516
formula: C22H42O7S
inchikey: GIBLJHXLTNHSEO-UHFFFAOYSA-L
norman_susdat_id: NS00051208
pubchem_cid: 168542
smiles: [Na+].[Na+].O=C(OCCCCCCCCCCCCCCCCCC)CC(C(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C22H42O7S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-21(23)19-20(22(24)25)30(26,27)28;;/h20H,2-19H2,1H3,(H,24,25)(H,26,27,28);;/q;2*+1/p-2


name: Imazaquin
cas: 246176-07-8
chebiid: CHEBI:147359
dtxsid: DTXSID60872982
formula: C17H17N3O3
inchikey: CABMTIJINOIHOD-QGZVFWFLSA-N
norman_susdat_id: NS00099191
pubchem_cid: 909781
smiles: CC(C)[C@@]1(C)N=C(c2nc3ccccc3cc2C(=O)O)NC1=O
inchi:
InChI=1S/C17H17N3O3/c1-9(2)17(3)16(23)19-14(20-17)13-11(15(21)22)8-10-6-4-5-7-12(10)18-13/h4-9H,1-3H3,(H,21,22)(H,19,20,23)/t17-/m1/s1


name: 5,5'-Dithiodisalicylic acid
cas: 24619-05-4
chemspiderid: 81766
dtxsid: DTXSID60179362
formula: C14H10O6S2
inchikey: IPIOEZKHDKHTNT-UHFFFAOYSA-N
norman_susdat_id: NS00027706
pubchem_cid: 90559
smiles: OC(=O)c1c(O)ccc(SSc2cc(C(=O)O)c(O)cc2)c1
inchi:
InChI=1S/C14H10O6S2/c15-11-3-1-7(5-9(11)13(17)18)21-22-8-2-4-12(16)10(6-8)14(19)20/h1-6,15-16H,(H,17,18)(H,19,20)


name: Benzyl 3-phenyl-L-alaninate hydrochloride
cas: 2462-32-0
formula: C16H17NO2.ClH
inchikey: CEXFHIYDTRNBJD-RSAXXLAASA-N
norman_susdat_id: NS00081507
smiles: Cl.N[C@@H](Cc1ccccc1)C(=O)OCc2ccccc2
inchi:
InChI=1/C16H17NO2.ClH/c17-15(11-13-7-3-1-4-8-13)16(18)19-12-14-9-5-2-6-10-14;/h1-10,15H,11-12,17H2;1H


name: 1-[2-(3-methylbutoxy)phenethyl]pyrrolidinium chloride
cas: 24622-52-4
dtxsid: DTXSID40947521
formula: C17H27NO
inchikey: ORXAFIGJFPOTFS-UHFFFAOYSA-N
norman_susdat_id: NS00050498
pubchem_cid: 21124863
smiles: [Cl-].O(C=1C=CC=CC1CC[NH+]2CCCC2)CCC(C)C
inchi:
InChI=1/C17H27NO.ClH/c1-15(2)10-14-19-17-8-4-3-7-16(17)9-13-18-11-5-6-12-18;/h3-4,7-8,15H,5-6,9-14H2,1-2H3;1H


name: 3,4-Methylenedioxy-α-pyrrolidinohexanophenone
cas: 24622-61-5
chemspiderid: 34450909
formula: C17H23N1O3
inchikey: OBLFRFGUZZRECT-UHFFFAOYSA-N
norman_susdat_id: NS00017381
pubchem_cid: 119057580
smiles: CCCCC(C(=O)C1=CC2=C(C=C1)OCO2)N3CCCC3
inchi:
InChI=1S/C17H23NO3/c1-2-3-6-14(18-9-4-5-10-18)17(19)13-7-8-15-16(11-13)21-12-20-15/h7-8,11,14H,2-6,9-10,12H2,1H3


name: 1H,1H,2H,2H-Perfluorodecyl(tri-iso-propoxy)silane
cas: 246234-80-0
dtxsid: DTXSID80631134
formula: C19H25F17O3Si
inchikey: OUVSPPNCAAZLIA-UHFFFAOYSA-N
norman_susdat_id: NS00111604
smiles: CC(C)O[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)(OC(C)C)OC(C)C
inchi:
InChI=1S/C19H25F17O3Si/c1-9(2)37-40(38-10(3)4,39-11(5)6)8-7-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h9-11H,7-8H2,1-6H3


name: AL 8810
cas: 246246-19-5
formula: C24H31FO4
inchikey: WTYSXBKKVNOOIX-JTGCGUAKSA-N
norman_susdat_id: NS00096441
smiles: C1C(C(C(C1F)C=CC(C2CC3=CC=CC=C3C2)O)CC=CCCCC(=O)O)O
inchi:
InChI=1S/C24H31FO4/c25-21-15-23(27)20(9-3-1-2-4-10-24(28)29)19(21)11-12-22(26)18-13-16-7-5-6-8-17(16)14-18/h1,3,5-8,11-12,18-23,26-27H,2,4,9-10,13-15H2,(H,28,29)/b3-1-,12-11+/t19-,20-,21+,22+,23+/m1/s1


name: HYDROXYETHYL CETYL- DIMONIUM CHLORIDE
cas: 24625-03-4
chemspiderid: 147121
formula: C20H44N1O1
inchikey: UENRCAFKOCYSLM-UHFFFAOYSA-N
norman_susdat_id: NS00013756
pubchem_cid: 168189
smiles: [Cl-].CCCCCCCCCCCCCCCC[N+](C)(C)CCO
inchi:
InChI=1S/C20H44NO.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(2,3)19-20-22;/h22H,4-20H2,1-3H3;1H/q+1;/p-1


name: 11,14-eicosadienoic acid, methyl ester
cas: 2463-02-7
dtxsid: DTXSID60881251
formula: C21H38O2
inchikey: GWJCFAOQCNNFAM-ZDVGBALWSA-N
norman_susdat_id: NS00096010
smiles: CCCCCC=CCC=CCCCCCCCCCC(=O)OC
inchi:
InChI=1S/C21H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11H,3-6,9,12-20H2,1-2H3/b8-7+,11-10+


name: Tetracosanoic acid ethyl ester
cas: 24634-95-5
dtxsid: DTXSID80179384
formula: C26H52O2
inchikey: AKXFYSSXNQQBNT-UHFFFAOYSA-N
norman_susdat_id: NS00112917
smiles: CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC
inchi:
InChI=1S/C26H52O2/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)28-4-2/h3-25H2,1-2H3


name: Chlorflurecol
cas: 2464-37-1
chemspiderid: 16253
dtxsid: DTXSID2034251
formula: C14H9Cl1O3
inchikey: SVOAUHHKPGKPQK-UHFFFAOYNA-N
norman_susdat_id: NS00027711
pubchem_cid: NA
smiles: OC(=O)C1(O)c2cc(Cl)ccc2c2c1cccc2
inchi:
InChI=1S/C14H9ClO3/c15-8-5-6-10-9-3-1-2-4-11(9)14(18,13(16)17)12(10)7-8/h1-7,18H,(H,16,17)/t14-/m1/s1


name: N,N-dimethyltridecylammonium (2,4,5-trichlorophenoxy)acetate
cas: 2464-48-4
dtxsid: DTXSID50947577
formula: C28H59N
inchikey: JMTYIKUMECKPBK-UHFFFAOYSA-N
norman_susdat_id: NS00046742
pubchem_cid: 20841578
smiles: O=C([O-])COC1=CC(Cl)=C(Cl)C=C1Cl.CCCCCCCCCCCCC(C)[NH2+]C(C)CCCCCCCCCCCC
inchi:
InChI=1/C28H59N.C8H5Cl3O3/c1-5-7-9-11-13-15-17-19-21-23-25-27(3)29-28(4)26-24-22-20-18-16-14-12-10-8-6-2;9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h27-29H,5-26H2,1-4H3;1-2H,3H2,(H,12,13)


name: 9,10-Anthracenedione, 2-(3-methylbutyl)-
cas: 24646-67-1
chemspiderid: 81775
dtxsid: DTXSID4067010
formula: C19H18O2
inchikey: CQYMOXYSVSNADQ-UHFFFAOYSA-N
norman_susdat_id: NS00027712
pubchem_cid: 90569
smiles: CC(C)CCc1cc2c(cc1)C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C19H18O2/c1-12(2)7-8-13-9-10-16-17(11-13)19(21)15-6-4-3-5-14(15)18(16)20/h3-6,9-12H,7-8H2,1-2H3


name: 3,6-bis(methylamino)xanthylium chloride
cas: 2465-29-4
dtxsid: DTXSID90883849
formula: C15H15N2O
inchikey: LVTJVPFKMWROEK-UHFFFAOYSA-M
norman_susdat_id: NS00046188
pubchem_cid: NA
smiles: [Cl-].[O+]=1C=2C=C(C=CC2C=C3C=CC(=CC13)NC)NC
inchi:
InChI=1/C15H15N2O.ClH/c1-16-12-5-3-10-7-11-4-6-13(17-2)9-15(11)18-14(10)8-12;/h3-9,16-17H,1-2H3;1H/q+1;/p-1


name: 2-hydroxy-1,3-propanediyl dioleate
cas: 2465-32-9
chebiid: CHEBI:75735
formula: C39H72O5
inchikey: DRAWQKGUORNASA-CLFAGFIQSA-N
norman_susdat_id: NS00081508
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COC(=O)CCCCCCC\C=C/CCCCCCCC
inchi:
InChI=1/C39H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-35-37(40)36-44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,37,40H,3-16,21-36H2,1-2H3


name: 1,2,3,4,5,6-hexakis-O-(2-cyanoethyl)hexitol
cas: 2465-92-1
dtxsid: DTXSID50947592
formula: C24H32N6O6
inchikey: SIPCQLNTTKBLSF-UHFFFAOYSA-N
norman_susdat_id: NS00046155
pubchem_cid: 98220
smiles: N#CCCOCC(OCCC#N)C(OCCC#N)C(OCCC#N)C(OCCC#N)COCCC#N
inchi:
InChI=1/C24H32N6O6/c25-7-1-13-31-19-21(33-15-3-9-27)23(35-17-5-11-29)24(36-18-6-12-30)22(34-16-4-10-28)20-32-14-2-8-26/h21-24H,1-6,13-20H2


name: Aramchol
cas: 246529-22-6
dtxsid: DTXSID90179395
formula: C44H79NO5
inchikey: SHKXZIQNFMOPBS-OOMQYRRCSA-N
norman_susdat_id: NS00073765
pubchem_cid: 18738120
inchi:
InChI=1S/C44H79NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-40(48)45-34-27-28-43(3)33(29-34)30-38(46)42-36-25-24-35(32(2)23-26-41(49)50)44(36,4)39(47)31-37(42)43/h32-39,42,46-47H,5-31H2,1-4H3,(H,45,48)(H,49,50)/t32-,33+,34+,35-,36+,37+,38-,39+,42+,43+,44-/m1/s1

smiles:
CCCCCCCCCCCCCCCCCCCC(=O)N[C@H]1CC[C@@]2(C)[C@@H](C1)C[C@@H](O)[C@@H]1[C@@H]2C[C@H](O)[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCC(=O)O


name: Decyl (Z,Z)-6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannadocosa-2,9-dienoate
cas: 24660-23-9
formula: C36H64O8Sn
inchikey: WPMZBGWYNQCTRW-YFQJWWFYSA-L
norman_susdat_id: NS00051276
pubchem_cid: 16684051
smiles: O=C(OCCCCCCCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCCCC)(CCCC)CCCC
inchi:
InChI=1/2C14H24O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-12-18-14(17)11-10-13(15)16;2*1-3-4-2;/h2*10-11H,2-9,12H2,1H3,(H,15,16);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC36H64O8Sn/c1-5-9-13-15-17-19-21-23-29-41-33(37)25-27-35(39)43-45(31-11-7-3,32-12-8-4)44-36(40)28-26-34(38)42-30-24-22-20-18-16-14-10-6-2/h25-28H,5-24,29-32H2,1-4H3


name: 9-fluoro-11ß,17,21-trihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-(3,3-dimethylbutyrate)
cas: 24668-75-5
dtxsid: DTXSID90947612
formula: C28H39FO6
inchikey: PQVDYPCHUGFHAR-PKWREOPISA-N
norman_susdat_id: NS00049968
pubchem_cid: 20055086
smiles: O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)COC(=O)CC(C)(C)C)C4(C)CC(O)C32F)C
inchi:
InChI=1/C28H39FO6/c1-16-11-20-19-8-7-17-12-18(30)9-10-25(17,5)27(19,29)21(31)13-26(20,6)28(16,34)22(32)15-35-23(33)14-24(2,3)4/h9-10,12,16,19-21,31,34H,7-8,11,13-15H2,1-6H3


name: Boric acid (H3BO3), trioctyl ester
cas: 2467-12-1
chemspiderid: 16259
dtxsid: DTXSID3062441
formula: C24H51B1O3
inchikey: DTBRTYHFHGNZFX-UHFFFAOYSA-N
norman_susdat_id: NS00020173
pubchem_cid: 17176
smiles: CCCCCCCCOB(OCCCCCCCC)OCCCCCCCC
inchi:
InChI=1S/C24H51BO3/c1-4-7-10-13-16-19-22-26-25(27-23-20-17-14-11-8-5-2)28-24-21-18-15-12-9-6-3/h4-24H2,1-3H3


name: Tris(2-ethylhexyl) orthoborate
cas: 2467-13-2
dtxsid: DTXSID50947613
formula: C24H51BO3
inchikey: DLVYHYUFIXLWKV-UHFFFAOYSA-N
norman_susdat_id: NS00045488
pubchem_cid: 17177
smiles: O(B(OCC(CC)CCCC)OCC(CC)CCCC)CC(CC)CCCC
inchi:
InChI=1/C24H51BO3/c1-7-13-16-22(10-4)19-26-25(27-20-23(11-5)17-14-8-2)28-21-24(12-6)18-15-9-3/h22-24H,7-21H2,1-6H3


name: Tridodecyl borate
cas: 2467-15-4
dtxsid: DTXSID80179405
formula: C36H75BO3
inchikey: HWJYGSDXNANCJM-UHFFFAOYSA-N
norman_susdat_id: NS00045489
pubchem_cid: 17178
smiles: O(B(OCCCCCCCCCCCC)OCCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/C36H75BO3/c1-4-7-10-13-16-19-22-25-28-31-34-38-37(39-35-32-29-26-23-20-17-14-11-8-5-2)40-36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3


name: Sodium 4-hydroxy-3-[[(1-oxooctadecyl)amino]carbonyl]naphthalenesulphonate
cas: 2467-29-0
dtxsid: DTXSID00179407
formula: C29H43NO6S
inchikey: GNZRPPOPPXZRST-UHFFFAOYSA-M
norman_susdat_id: NS00046156
pubchem_cid: 3014104
smiles: [Na+].O=C(NC(=O)CCCCCCCCCCCCCCCCC)C=1C=C(C=2C=CC=CC2C1O)S(=O)(=O)[O-]
inchi:
InChI=1/C29H43NO6S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-27(31)30-29(33)25-22-26(37(34,35)36)23-19-17-18-20-24(23)28(25)32;/h17-20,22,32H,2-16,21H2,1H3,(H,30,31,33)(H,34,35,36);/q;+1/p-1


name: Lenperone
cas: 24678-13-5
dtxsid: DTXSID7046120
formula: C22H23F2NO2
inchikey: WCIBOXFOUGQLFC-UHFFFAOYSA-N
norman_susdat_id: NS00050515
pubchem_cid: 32593
smiles: O=C(C1=CC=C(F)C=C1)CCCN2CCC(C(=O)C3=CC=C(F)C=C3)CC2
inchi:
InChI=1/C22H23F2NO2/c23-19-7-3-16(4-8-19)21(26)2-1-13-25-14-11-18(12-15-25)22(27)17-5-9-20(24)10-6-17/h3-10,18H,1-2,11-15H2


name: Catharanthine
cas: 2468-21-5
chebiid: CHEBI:3469
chemspiderid: 4474978
formula: C21H24N2O2
inchikey: CMKFQVZJOWHHDV-NQZBTDCJSA-N
norman_susdat_id: NS00018340
pubchem_cid: 5458190
smiles: CCC1=CC2CC3(C1N(C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC
inchi:
InChI=1S/C21H24N2O2/c1-3-14-10-13-11-21(20(24)25-2)18-16(8-9-23(12-13)19(14)21)15-6-4-5-7-17(15)22-18/h4-7,10,13,19,22H,3,8-9,11-12H2,1-2H3/t13-,19+,21-/m0/s1


cas: 24681-18-3
chemspiderid: 82366
dtxsid: DTXSID9067013
formula: C29H23N5O11S3
inchikey: RLAAWRVSLGRFJS-UHFFFAOYSA-N
norman_susdat_id: NS00027715
pubchem_cid: 91213
smiles: CC(=O)C(N=Nc1cc(c(/C=C/c2ccc(cc2S(=O)(=O)O)n2nc3cc(c4c(cccc4)c3n2)S(=O)(=O)O)cc1)S(=O)(=O)O)C(=O)C
name:
2H-Naphtho[1,2-d]triazole-5-sulfonic acid, 2-[4-[2-[4-[(1-acetyl-2-oxopropyl)azo]-2-sulfophenyl]ethenyl]-3-sulfophenyl]-

inchi:
InChI=1S/C29H23N5O11S3/c1-16(35)28(17(2)36)31-30-20-11-9-18(25(13-20)46(37,38)39)7-8-19-10-12-21(14-26(19)47(40,41)42)34-32-24-15-27(48(43,44)45)22-5-3-4-6-23(22)29(24)33-34/h3-15,28H,1-2H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)/b8-7+,31-30+


name: Stearic acid, compound with ethane-1,2-diamine
cas: 24682-74-4
formula: C18H36O2.xC2H8N2
inchikey: AGZWCTVHYPLFHY-UHFFFAOYSA-N
norman_susdat_id: NS00084195
smiles: CCCCCCCCCCCCCCCCCC(=O)O.NCCN
inchi:
InChI=1/C18H36O2.C2H8N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h2-17H2,1H3,(H,19,20);1-4H2


name: Tetrakis[2-(2-methoxyethoxy)ethyl] orthosilicate
cas: 24685-89-0
dtxsid: DTXSID9067015
formula: C20H44O12Si
inchikey: AJWLYSOPXUSOQB-UHFFFAOYSA-N
norman_susdat_id: NS00051278
pubchem_cid: 90582
smiles: O(C)CCOCCO[Si](OCCOCCOC)(OCCOCCOC)OCCOCCOC
inchi:
InChI=1/C20H44O12Si/c1-21-5-9-25-13-17-29-33(30-18-14-26-10-6-22-2,31-19-15-27-11-7-23-3)32-20-16-28-12-8-24-4/h5-20H2,1-4H3


cas: 24687-33-0
dtxsid: DTXSID40179426
formula: C31H29N2O3S3
inchikey: DGXYFVIOIQPORQ-UHFFFAOYSA-N
norman_susdat_id: NS00050507
pubchem_cid: NA
smiles: O=S(=O)([O-])CCC[N+]1=C(SC2=CC=C3C=CC=CC3=C21)C=C(C=C4SC=5C=CC=6C=CC=CC6C5N4C)CC
name:
2-[2-[(1-methylnaphtho[1,2-d]thiazol-2(1H)-ylidene)methyl]-1-butenyl]-1-(3-sulphonatopropyl)naphtho[1,2-d]thiazolium

inchi:
InChI=1/C31H28N2O3S3/c1-3-21(19-28-32(2)30-24-11-6-4-9-22(24)13-15-26(30)37-28)20-29-33(17-8-18-39(34,35)36)31-25-12-7-5-10-23(25)14-16-27(31)38-29/h4-7,9-16,19-20H,3,8,17-18H2,1-2H3


name: Silver icosanoate
cas: 24687-57-8
formula: C20H40O2.Ag
inchikey: WSNSABOWXUGUPR-UHFFFAOYSA-M
norman_susdat_id: NS00084079
smiles: [Ag+].CCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C20H40O2.Ag/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


cas: 2469-87-6
chemspiderid: 17326205
dtxsid: DTXSID30179430
formula: C51H31N7O7
inchikey: UBZOMZRRLGXNJB-UHFFFAOYSA-N
norman_susdat_id: NS00027721
pubchem_cid: 16197789
name:
N,N'-((6-Phenoxy-1,3,5-triazine-2,4-diyl)bis(imino(9,10-dihydro-9,10-dioxoanthracene-5,1-diyl)))bis(benzamide)

inchi:
InChI=1S/C51H31N7O7/c59-43-33-22-12-26-37(41(33)45(61)31-20-10-24-35(39(31)43)52-47(63)28-14-4-1-5-15-28)54-49-56-50(58-51(57-49)65-30-18-8-3-9-19-30)55-38-27-13-23-34-42(38)46(62)32-21-11-25-36(40(32)44(34)60)53-48(64)29-16-6-2-7-17-29/h1-27H,(H,52,63)(H,53,64)(H2,54,55,56,57,58)

smiles:
O=C(Nc1cccc2c1C(=O)c1c(c(Nc3nc(Oc4ccccc4)nc(Nc4cccc5c4C(=O)c4c(c(NC(=O)c6ccccc6)ccc4)C5=O)n3)ccc1)C2=O)c1ccccc1


cas: 24690-33-3
chemspiderid: 81787
dtxsid: DTXSID4067016
formula: C17H24O6
inchikey: SWHLOXLFJPTYTL-UHFFFAOYSA-N
norman_susdat_id: NS00027719
pubchem_cid: 90585
smiles: CC(=C)C(=O)OCC(C)(COC(=O)C(=C)C)COC(=O)C(=C)C
name:
2-Propenoic acid, 2-methyl-, 2-methyl-2-[[(2-methyl-1-oxo-2-propenyl)oxy]methyl]-1,3-propanediyl ester

inchi:
InChI=1S/C17H24O6/c1-11(2)14(18)21-8-17(7,9-22-15(19)12(3)4)10-23-16(20)13(5)6/h1,3,5,8-10H2,2,4,6-7H3


name: MDPPP
cas: 24698-57-5
chemspiderid: 4936183
formula: C14H17N1O3
inchikey: NIYQOTCYXGXMPI-UHFFFAOYSA-N
norman_susdat_id: NS00005781
pubchem_cid: 6430845
smiles: CC(N1CCCC1)C(=O)c1ccc2OCOc2c1
inchi:
InChI=1S/C14H17NO3/c1-10(15-6-2-3-7-15)14(16)11-4-5-12-13(8-11)18-9-17-12/h4-5,8,10H,2-3,6-7,9H2,1H3


name: dixyrazine
cas: 2470-73-7
chebiid: CHEBI:135695
chemspiderid: 16265
formula: C24H33N3O2S1
inchikey: MSYUMPGNGDNTIQ-UHFFFAOYSA-N
norman_susdat_id: NS00006106
pubchem_cid: 17182
smiles: CC(CN1CCN(CCOCCO)CC1)CN1c2ccccc2Sc2ccccc12
inchi:
InChI=1S/C24H33N3O2S/c1-20(18-26-12-10-25(11-13-26)14-16-29-17-15-28)19-27-21-6-2-4-8-23(21)30-24-9-5-3-7-22(24)27/h2-9,20,28H,10-19H2,1H3


name: 3,4-dihydro-4-isopropyl-2,2-dimethyl-7-octyl-2H-1-benzopyran-6-ol
cas: 24700-85-4
dtxsid: DTXSID30865169
formula: C22H36O2
inchikey: JYZPSBQSMQQYOB-UHFFFAOYSA-N
norman_susdat_id: NS00049558
pubchem_cid: 91221
smiles: OC=1C=C2C(OC(C)(C)CC2C(C)C)=CC1CCCCCCCC
inchi:
InChI=1/C22H36O2/c1-6-7-8-9-10-11-12-17-13-21-18(14-20(17)23)19(16(2)3)15-22(4,5)24-21/h13-14,16,19,23H,6-12,15H2,1-5H3


name: Demexiptiline
cas: 24701-51-7
chebiid: CHEBI:135152
chemspiderid: 26858
dtxsid: DTXSID40179441
formula: C18H18N2O1
inchikey: SEDQWOMFMIJKCU-UHFFFAOYSA-N
norman_susdat_id: NS00001361
pubchem_cid: 28876
smiles: CNCCON=c1c2ccccc2ccc2ccccc12
inchi:
InChI=1S/C18H18N2O/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


name: 6-Deoxy-9alpha-hydroxycedrodorin
cas: 247036-52-8
chemspiderid: 10276240
formula: C27H34O9
inchikey: DRIQPOSLYIEZJT-UHFFFAOYNA-N
norman_susdat_id: NS00067880
pubchem_cid: 21668774
inchi:
InChI=1S/C27H34O9/c1-22(2)16(10-17(28)33-5)24(4)19(30)15-11-27(36-21(15)22)25(24,31)8-7-23(3)20(14-6-9-34-13-14)35-18(29)12-26(23,27)32/h6,9,13,15-16,20-21,31-32H,7-8,10-12H2,1-5H3/t15-,16+,20+,21-,23+,24-,25+,26+,27+/m1/s1


cas: 24704-54-9
chemspiderid: 20475491
dtxsid: DTXSID4074358
formula: C23H20N4O8S2
inchikey: FNDCLGUEMQQMSV-UHFFFAOYSA-N
norman_susdat_id: NS00027723
pubchem_cid: NA
smiles: Cc1c(C=CC=C2C(=NN(C2=O)c2ccc(cc2)S(=O)(=O)O)C)c(=O)n([nH]1)c1ccc(cc1)S(=O)(=O)O
name:
Benzenesulfonic acid, 4-[4,5-dihydro-4-[3-[5-hydroxy-3-methyl-1-(4-sulfophenyl)-1H-pyrazol-4-yl]-2-propenylidene]-3-methyl-5-oxo-1H-pyrazol-1-yl]-

inchi:
InChI=1S/C23H20N4O8S2/c1-14-20(22(28)26(24-14)16-6-10-18(11-7-16)36(30,31)32)4-3-5-21-15(2)25-27(23(21)29)17-8-12-19(13-9-17)37(33,34)35/h3-13,24H,1-2H3,(H,30,31,32)(H,33,34,35)/b4-3+,21-5-


name: Androstenedione-6a-hydroxy
cas: 24704-84-5
chemspiderid: 23254893
dtxsid: DTXSID90550721
formula: C19H26O3
inchikey: WVAMBAWFDOYFOD-BMSLSITRSA-N
norman_susdat_id: NS00100925
pubchem_cid: 13833941
smiles: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)C[C@@H](C4=CC(=O)CC[C@]34C)O
inchi:
InChI=1S/C19H26O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16,21H,3-8,10H2,1-2H3/t12-,13-,14-,16-,18+,19-/m0/s1


cas: 247041-56-1
norman_susdat_id: NS00113588
name:
2-Butenoic acid, 4,4-[(dibutylstannylene)bis(oxy)]bis[4-oxo-, (2Z,2Z)-, di-C8-10-isoalkyl esters, C9-rich


cas: 247047-61-6
dtxsid: DTXSID70882830
norman_susdat_id: NS00111332
name:
2-Methyl-2-propenoic acid 2-(diethylamino)ethyl ester polymers with glycidyl methacrylate and .gamma.-.omega.-perfluoro-C6-20-alkyl acrylate, acetates(salts)


name: Pyrrolo(3,4-c)pyrrole-1,4-dione,2,5-dihydro-3,6-bis(4-(octadecylthio)phenyl)- .
cas: 247089-62-9
dtxsid: DTXSID2074902
formula: C54H84N2O2S2
inchikey: FOTPMSCWVSZTND-UHFFFAOYSA-N
norman_susdat_id: NS00113657
smiles: CCCCCCCCCCCCCCCCCCSC1=CC=C(C=C1)C1=C2C(=O)NC(=C2C(=O)N1)C1=CC=C(SCCCCCCCCCCCCCCCCCC)C=C1
inchi:
InChI=1S/C54H84N2O2S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43-59-47-39-35-45(36-40-47)51-49-50(54(58)55-51)52(56-53(49)57)46-37-41-48(42-38-46)60-44-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35-42H,3-34,43-44H2,1-2H3,(H,55,58)(H,56,57)


name: Linear polydimethylsiloxane n=10
cas: 2471-08-1
chemspiderid: 14543238
dtxsid: DTXSID3062445
formula: C26H78O11Si12
inchikey: CJRWALLMSORFIV-UHFFFAOYSA-N
norman_susdat_id: NS00095793
pubchem_cid: 19829559
inchi:
InChI=1S/C26H78O11Si12/c1-38(2,3)27-40(7,8)29-42(11,12)31-44(15,16)33-46(19,20)35-48(23,24)37-49(25,26)36-47(21,22)34-45(17,18)32-43(13,14)30-41(9,10)28-39(4,5)6/h1-26H3

smiles:
C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C


name: Kalkitoxin
cas: 247184-89-0
dtxsid: DTXSID80897233
formula: C21H38N2OS
inchikey: PHYRFZDJEDWWKT-UJWQCDCRSA-N
norman_susdat_id: NS00075537
smiles: CC[C@@H](C)C(=O)N(C)CC[C@@H](C)C[C@H](C)[C@H](C)CC1=N[C@@H](CS1)C=C
inchi:
InChI=1S/C21H38N2OS/c1-8-16(4)21(24)23(7)11-10-15(3)12-17(5)18(6)13-20-22-19(9-2)14-25-20/h9,15-19H,2,8,10-14H2,1,3-7H3/t15-,16-,17+,18-,19-/m1/s1


name: Bis(tetrabutylammonium) sulphate
cas: 2472-88-0
formula: C16H36N.1/2O4S
inchikey: ZXUCBXRTRRIBSO-UHFFFAOYSA-L
norman_susdat_id: NS00081904
smiles: CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/2C16H36N.H2O4S/c2*1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-5(2,3)4/h2*5-16H2,1-4H3;(H2,1,2,3,4)/q2*+1;/p-2


name: 10-(3-chloro-2-methylpropyl)-2-methoxy-10H-phenothiazine
cas: 24724-55-8
dtxsid: DTXSID10947659
formula: C17H18ClNOS
inchikey: RGVWJLFRRZKPRE-UHFFFAOYSA-N
norman_susdat_id: NS00049574
pubchem_cid: 91228
smiles: ClCC(C)CN1C=2C=CC=CC2SC3=CC=C(OC)C=C31
inchi:
InChI=1/C17H18ClNOS/c1-12(10-18)11-19-14-5-3-4-6-16(14)21-17-8-7-13(20-2)9-15(17)19/h3-9,12H,10-11H2,1-2H3


name: Fimasartan
cas: 247257-48-3
chebiid: CHEBI:136044
dtxsid: DTXSID80179460
formula: C27H31N7OS
inchikey: AMEROGPZOLAFBN-UHFFFAOYSA-N
norman_susdat_id: NS00069389
pubchem_cid: 9870652
smiles: CCCCc1nc(C)c(CC(=S)N(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1
inchi:
InChI=1S/C27H31N7OS/c1-5-6-11-24-28-18(2)23(16-25(36)33(3)4)27(35)34(24)17-19-12-14-20(15-13-19)21-9-7-8-10-22(21)26-29-31-32-30-26/h7-10,12-15H,5-6,11,16-17H2,1-4H3,(H,29,30,31,32)


name: Clindamycin phosphate
cas: 24729-96-2
chebiid: CHEBI:3746
chemspiderid: 8521497
dtxsid: DTXSID1048677
formula: C18H34Cl1N2O8P1S1
inchikey: UFUVLHLTWXBHGZ-KUWMELJBSA-N
norman_susdat_id: NS00008079
pubchem_cid: 10346039
smiles: CCC[C@@H]1C[C@H](N(C)C1)C(=O)NC(C(C)Cl)[C@H]1O[C@H](SC)[C@H](OP(O)(O)=O)[C@@H](O)[C@H]1O
inchi:
InChI=1S/C18H34ClN2O8PS/c1-5-6-10-7-11(21(3)8-10)17(24)20-12(9(2)19)15-13(22)14(23)16(18(28-15)31-4)29-30(25,26)27/h9-16,18,22-23H,5-8H2,1-4H3,(H,20,24)(H2,25,26,27)/t9?,10-,11+,12?,13-,14+,15-,16-,18-/m1/s1


name: 5'a-benzyl-9,10a-dihydro-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate
cas: 24730-10-7
chebiid: CHEBI:31490
formula: C35H41N5O5.CH4O3S
inchikey: SPXACGZWWVIDGR-SPZWACKZSA-N
norman_susdat_id: NS00083417
inchi:
InChI=1/C35H41N5O5.CH4O3S/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34;1-5(2,3)4/h4-7,9-12,18,20,23,25,27-29,36,44H,8,13-17,19H2,1-3H3,(H,37,41);1H3,(H,2,3,4)

smiles:
CC(C)[C@@]1(NC(=O)[C@@H]2C[C@H]3[C@@H](Cc4c[nH]c5cccc3c45)N(C)C2)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O.CS(=O)(=O)O


name: Surfactin C
cas: 24730-31-2
chebiid: CHEBI:71978
chemspiderid: 391754
dtxsid: DTXSID20893274
formula: C53H93N7O13
inchikey: NJGWOFRZMQRKHT-WGVNQGGSSA-N
norman_susdat_id: NS00094931
pubchem_cid: 443592
inchi:
InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-28-43(61)54-37(22-23-44(62)63)47(66)55-38(24-31(3)4)48(67)57-40(26-33(7)8)51(70)60-46(35(11)12)52(71)58-41(29-45(64)65)50(69)56-39(25-32(5)6)49(68)59-42(27-34(9)10)53(72)73-36/h30-42,46H,13-29H2,1-12H3,(H,54,61)(H,55,66)(H,56,69)(H,57,67)(H,58,71)(H,59,68)(H,60,70)(H,62,63)(H,64,65)/t36-,37+,38+,39-,40-,41+,42+,46+/m1/s1

smiles:
CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)O1)CC(C)C)CC(C)C)CC(=O)O)C(C)C)CC(C)C)CC(C)C)CCC(=O)O


name: N-Ethyl-N-(2-hydroxyethyl)stearamide
cas: 24731-31-5
chemspiderid: 81795
dtxsid: DTXSID00179462
formula: C22H45N1O2
inchikey: AMPMLHRGDKAIBJ-UHFFFAOYSA-N
norman_susdat_id: NS00027727
pubchem_cid: 90593
smiles: CCCCCCCCCCCCCCCCCC(=O)N(CC)CCO
inchi:
InChI=1S/C22H45NO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23(4-2)20-21-24/h24H,3-21H2,1-2H3


name: Butanamide, N,N'-1,4-phenylenebis[3-oxo-
cas: 24731-73-5
chemspiderid: 81797
dtxsid: DTXSID4067018
formula: C14H16N2O4
inchikey: OWGNKUKYZPVEFS-UHFFFAOYSA-N
norman_susdat_id: NS00007871
pubchem_cid: 90595
smiles: CC(=O)CC(=O)Nc1ccc(NC(=O)CC(C)=O)cc1
inchi:
InChI=1S/C14H16N2O4/c1-9(17)7-13(19)15-11-3-5-12(6-4-11)16-14(20)8-10(2)18/h3-6H,7-8H2,1-2H3,(H,15,19)(H,16,20)


cas: 24738-19-0
dtxsid: DTXSID80947666
formula: C12H15N5OS2
inchi: InChI=1/C12H15N5OS2/c1-4-8-16-11(18)9(20-12(16)19)6-7-10-15(3)13-14-17(10)5-2/h4,6-7H,1,5,8H2,2-3H3
inchikey: VPLHQQNVZUTKLL-UHFFFAOYSA-N
norman_susdat_id: NS00050296
pubchem_cid: 91230
smiles: O=C1C(SC(=S)N1CC=C)=CC=C2N(N=NN2CC)C
name:
3-allyl-5-[(1-ethyl-1,4-dihydro-4-methyl-5H-tetrazol-5-ylidene)ethylidene]-2-thioxothiazolidin-4-one


name: Vat Blue 4B
cas: 2475-31-2
chemspiderid: 4514364
dtxsid: DTXSID7044891
formula: C16H6Br4N2O2
inchikey: PTWYQANXSNMUTI-UHFFFAOYSA-N
norman_susdat_id: NS00004252
pubchem_cid: 6811104
smiles: Brc1cc2C(=O)C(Nc2c(Br)c1)=C1Nc2c(cc(Br)cc2Br)C1=O
inchi:
InChI=1S/C16H6Br4N2O2/c17-5-1-7-11(9(19)3-5)21-13(15(7)23)14-16(24)8-2-6(18)4-10(20)12(8)22-14/h1-4,21-22H


name: Vat brown 1
cas: 2475-33-4
chemspiderid: 56229
dtxsid: DTXSID7026283
formula: C42H18N2O6
inchikey: DCYIADGZPJOOFN-UHFFFAOYSA-N
norman_susdat_id: NS00020174
pubchem_cid: 62448
smiles: O=C1c2c(cccc2)C(=O)c2c1ccc1c2[nH]c2c1c1c([nH]c3c1ccc1c3C(=O)c3c(cccc3)C1=O)c1c2C(=O)c2c(cccc2)C1=O
inchi:
InChI=1S/C42H18N2O6/c45-37-17-7-1-3-9-19(17)39(47)29-25(37)15-13-23-27-28-24-14-16-26-30(40(48)20-10-4-2-8-18(20)38(26)46)34(24)44-36(28)32-31(35(27)43-33(23)29)41(49)21-11-5-6-12-22(21)42(32)50/h1-16,43-44H


name: 2-[[4-(m-tolylazo)-m-tolyl]azo]-p-cresol
cas: 2475-42-5
dtxsid: DTXSID00883850
formula: C21H20N4O
inchikey: ZWGIWBPSFVJJAG-UHFFFAOYSA-N
norman_susdat_id: NS00046821
pubchem_cid: 75585
smiles: OC1=CC=C(C=C1N=NC2=CC=C(N=NC3=CC=CC(=C3)C)C(=C2)C)C
inchi:
InChI=1/C21H20N4O/c1-14-5-4-6-17(11-14)22-24-19-9-8-18(13-16(19)3)23-25-20-12-15(2)7-10-21(20)26/h4-13,26H,1-3H3


name: Benzenamine, 2-methoxy-5-methyl-4-[(4-nitrophenyl)azo]-
cas: 2475-43-6
chemspiderid: 68110
dtxsid: DTXSID2062450
formula: C14H14N4O3
inchikey: TUSSBGHDSRBBFW-UHFFFAOYSA-N
norman_susdat_id: NS00021074
pubchem_cid: 75586
smiles: COc1cc(N=Nc2ccc(cc2)[N+](=O)[O-])c(C)cc1N
inchi:
InChI=1S/C14H14N4O3/c1-9-7-12(15)14(21-2)8-13(9)17-16-10-3-5-11(6-4-10)18(19)20/h3-8H,15H2,1-2H3/b17-16-


name: 1-(Methylamino)-4-(2-hydroxyethylamino)anthraquinone
cas: 2475-46-9
chemspiderid: 16273
dtxsid: DTXSID9041730
formula: C17H16N2O3
inchikey: NLXFWUZKOOWWFD-UHFFFAOYSA-N
norman_susdat_id: NS00009216
pubchem_cid: 17191
smiles: CNc1ccc(NCCO)c2C(=O)c3ccccc3C(=O)c12
inchi:
InChI=1S/C17H16N2O3/c1-18-12-6-7-13(19-8-9-20)15-14(12)16(21)10-4-2-3-5-11(10)17(15)22/h2-7,18-20H,8-9H2,1H3


name: Benzamidenafil
cas: 247568-68-9
chemspiderid: 7997451
dtxsid: DTXSID50179477
formula: C19H23N3O6
inchikey: ZISFCTXLAXIEMV-GFCCVEGCSA-N
norman_susdat_id: NS00101051
pubchem_cid: 9821702
smiles: C[C@H](CO)Nc1ccc(cc1C(=O)NCc2ccc(c(c2)OC)OC)[N+](=O)[O-]
inchi:
InChI=1S/C19H23N3O6/c1-12(11-23)21-16-6-5-14(22(25)26)9-15(16)19(24)20-10-13-4-7-17(27-2)18(8-13)28-3/h4-9,12,21,23H,10-11H2,1-3H3,(H,20,24)/t12-/m1/s1


name: Levonol Fast Cyanine 5RN
cas: 24758-50-7
chemspiderid: 17729
dtxsid: DTXSID3045069
formula: C32H23N5O6S2
inchikey: DJRZPZBRKRAGBD-XGMUGIETSA-N
norman_susdat_id: NS00027732
pubchem_cid: NA
smiles: [O-]S(=O)(=O)c1cccc(c1)N=Nc1c2ccccc2c(cc1)N=Nc1c2cccc(c2c(Nc2ccccc2)cc1)S(=O)(=O)[O-]
inchi:
InChI=1S/C32H23N5O6S2/c38-44(39,40)23-11-6-10-22(20-23)34-35-27-16-17-28(25-13-5-4-12-24(25)27)36-37-29-18-19-30(33-21-8-2-1-3-9-21)32-26(29)14-7-15-31(32)45(41,42)43/h1-20,33H,(H,38,39,40)(H,41,42,43)/b35-34+,37-36+


name: 4,4'-propylidenebis[2-methoxyphenol]
cas: 24762-58-1
dtxsid: DTXSID00897391
formula: C17H20O4
inchikey: XEOJWUCFIDZEBK-UHFFFAOYSA-N
norman_susdat_id: NS00049590
pubchem_cid: 13092769
smiles: OC1=CC=C(C=C1OC)C(C2=CC=C(O)C(OC)=C2)CC
inchi:
InChI=1/C17H20O4/c1-4-13(11-5-7-14(18)16(9-11)20-2)12-6-8-15(19)17(10-12)21-3/h5-10,13,18-19H,4H2,1-3H3


name: 5,5'-(penta-1,3-dien-1-yl-5-ylidene)bis[1,3-diethyl-2-thiobarbituric] acid
cas: 24765-31-9
dtxsid: DTXSID40884664
formula: C21H26N4O4S2
inchikey: CDNUBETVVAAMOZ-UHFFFAOYSA-N
norman_susdat_id: NS00049575
pubchem_cid: 91231
smiles: O=C1C(=CC=CC=CC2C(=O)N(C(=S)N(C2=O)CC)CC)C(=O)N(C(=S)N1CC)CC
inchi:
InChI=1/C21H26N4O4S2/c1-5-22-16(26)14(17(27)23(6-2)20(22)30)12-10-9-11-13-15-18(28)24(7-3)21(31)25(8-4)19(15)29/h9-14H,5-8H2,1-4H3


name: Octatriacontafluorooctadecane
cas: 24768-65-8
dtxsid: DTXSID20895455
formula: C18F38
inchikey: CKIFXJXKYOEESC-UHFFFAOYSA-N
norman_susdat_id: NS00109682
inchi:
InChI=1S/C18F38/c19-1(20,3(23,24)5(27,28)7(31,32)9(35,36)11(39,40)13(43,44)15(47,48)17(51,52)53)2(21,22)4(25,26)6(29,30)8(33,34)10(37,38)12(41,42)14(45,46)16(49,50)18(54,55)56

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


name: Bis(butan-2-olato)(ethyl 3-oxobutyrato-O1',O3)aluminium
cas: 24772-51-8
formula: C14H27AlO5
inchikey: JHDXMLSTPHYISH-UHFFFAOYSA-N
norman_susdat_id: NS00084083
smiles: CCOC1CC(C)O[Al](OC(C)CC)(OC(C)CC)O1
inchi:
InChI=1/C6H12O3.2C4H9O.Al/c1-3-9-6(8)4-5(2)7;2*1-3-4(2)5;/h5-6H,3-4H2,1-2H3;2*4H,3H2,1-2H3;/q-2;2*-1;+3/rC14H30AlO5/c1-7-11(4)17-15(18-12(5)8-2)19-13(6)10-14(20-15)16-9-3/h11-14H,7-10H2,1-6H3/q-1


name: 1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-amino-2-(2,4-dimethylphenyl)-
cas: 2478-20-8
chemspiderid: 68113
dtxsid: DTXSID7062453
formula: C20H16N2O2
inchikey: FQLZTPSAVDHUKS-UHFFFAOYSA-N
norman_susdat_id: NS00014096
pubchem_cid: 75589
smiles: Cc1ccc(N2C(=O)c3cccc4c(N)ccc(C2=O)c34)c(C)c1
inchi:
InChI=1S/C20H16N2O2/c1-11-6-9-17(12(2)10-11)22-19(23)14-5-3-4-13-16(21)8-7-15(18(13)14)20(22)24/h3-10H,21H2,1-2H3


name: Benzoic acid, 2-hydroxy-, 3-phenylpropyl ester
cas: 24781-13-3
chemspiderid: 81808
dtxsid: DTXSID3067021
formula: C16H16O3
inchikey: GMHNYYKDPGWAJR-UHFFFAOYSA-N
norman_susdat_id: NS00027736
pubchem_cid: 90607
smiles: Oc1c(cccc1)C(=O)OCCCc1ccccc1
inchi:
InChI=1S/C16H16O3/c17-15-11-5-4-10-14(15)16(18)19-12-6-9-13-7-2-1-3-8-13/h1-5,7-8,10-11,17H,6,9,12H2


name: N-[N-[(phenylmethoxy)carbonyl]-L-isoleucyl]-L-alanine
cas: 24787-83-5
dtxsid: DTXSID70947695
formula: C17H24N2O5
inchikey: ODCYXWIILYCUCZ-WGIUUAEBSA-N
norman_susdat_id: NS00049577
pubchem_cid: 91233
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)NC(C(=O)O)C)C(C)CC
inchi:
InChI=1/C17H24N2O5/c1-4-11(2)14(15(20)18-12(3)16(21)22)19-17(23)24-10-13-8-6-5-7-9-13/h5-9,11-12,14H,4,10H2,1-3H3,(H,18,20)(H,19,23)(H,21,22)


name: 1,2-Benzenedicarboxylic acid, 4,4'-carbonylbis-
cas: 2479-49-4
chemspiderid: 68116
dtxsid: DTXSID2062456
formula: C17H10O9
inchikey: UITKHKNFVCYWNG-UHFFFAOYSA-N
norman_susdat_id: NS00021929
pubchem_cid: 75592
smiles: [O-]C(=O)c1c(cc(cc1)C(=O)c1cc(C(=O)[O-])c(cc1)C(=O)[O-])C(=O)[O-]
inchi:
InChI=1S/C17H10O9/c18-13(7-1-3-9(14(19)20)11(5-7)16(23)24)8-2-4-10(15(21)22)12(6-8)17(25)26/h1-6H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)


name: Estrone-3-glucuronide
cas: 2479-90-5
chebiid: CHEBI:28919
chemspiderid: 103124
dtxsid: DTXSID20891497
formula: C24H30O8
inchikey: FJAZVHYPASAQKM-JBAURARKSA-N
norman_susdat_id: NS00014415
pubchem_cid: 115255
smiles: C[C@]12CC[C@H]3[C@@H](CCC4=C3C=CC(O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C4)[C@@H]1CCC2=O
inchi:
InChI=1S/C24H30O8/c1-24-9-8-14-13-5-3-12(10-11(13)2-4-15(14)16(24)6-7-17(24)25)31-23-20(28)18(26)19(27)21(32-23)22(29)30/h3,5,10,14-16,18-21,23,26-28H,2,4,6-9H2,1H3,(H,29,30)/t14-,15-,16+,18+,19+,20-,21+,23-,24+/m1/s1


name: Docosanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 24794-57-8
formula: C22H44O2.C6H15NO3
inchikey: GCACVWDCQDRJLA-UHFFFAOYSA-N
norman_susdat_id: NS00084108
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)O.OCCN(CCO)CCO
inchi:
InChI=1/C22H44O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;8-4-1-7(2-5-9)3-6-10/h2-21H2,1H3,(H,23,24);8-10H,1-6H2


name: 2-(Dicyclohexylphosphino)biphenyl
cas: 247940-06-3
chemspiderid: 2015972
dtxsid: DTXSID60370170
formula: C24H31P1
inchikey: LCSNDSFWVKMJCT-UHFFFAOYSA-N
norman_susdat_id: NS00007056
pubchem_cid: 2734216
smiles: C1CCC(CC1)P(C1CCCCC1)c1ccccc1-c1ccccc1
inchi:
InChI=1S/C24H31P/c1-4-12-20(13-5-1)23-18-10-11-19-24(23)25(21-14-6-2-7-15-21)22-16-8-3-9-17-22/h1,4-5,10-13,18-19,21-22H,2-3,6-9,14-17H2


name: 3,7-bis(diethylamino)phenoxazin-5-ium perchlorate
cas: 24796-94-9
chebiid: CHEBI:52191
formula: C20H26N3O.ClO4
inchikey: PKZWDLHLOBYXKV-UHFFFAOYSA-M
norman_susdat_id: NS00084109
smiles: CCN(CC)c1ccc2nc3ccc(cc3[o+]c2c1)N(CC)CC.[O-]Cl(=O)(=O)=O
inchi:
InChI=1/C20H26N3O.ClHO4/c1-5-22(6-2)15-9-11-17-19(13-15)24-20-14-16(23(7-3)8-4)10-12-18(20)21-17;2-1(3,4)5/h9-14H,5-8H2,1-4H3;(H,2,3,4,5)/q+1;/p-1


name: 13H-indeno[1,2-b]anthracene
cas: 248-93-1
dtxsid: DTXSID90179496
formula: C21H14
inchikey: WQIFERDZMYSWOI-UHFFFAOYSA-N
norman_susdat_id: NS00041492
pubchem_cid: 67487
smiles: C=1C=CC2=CC3=CC4=C(C=C3C=C2C1)C=5C=CC=CC5C4
inchi:
InChI=1/C21H14/c1-2-6-15-10-18-13-21-19(12-17(18)9-14(15)5-1)11-16-7-3-4-8-20(16)21/h1-10,12-13H,11H2


name: 17,21-dihydroxypregna-1,4-diene-3,11,20-trione 21-(hydrogen succinate)
cas: 24808-87-5
dtxsid: DTXSID00947724
formula: C25H30O8
inchikey: IMWBZDUOZWSUQI-UHFFFAOYSA-N
norman_susdat_id: NS00049641
pubchem_cid: 91235
smiles: O=C1C=CC2(C(=C1)CCC3C2C(=O)CC4(C)C3CCC4(O)C(=O)COC(=O)CCC(=O)O)C
inchi:
InChI=1/C25H30O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h7,9,11,16-17,22,32H,3-6,8,10,12-13H2,1-2H3,(H,29,30)


name: 1-Naphthalenesulfonic acid, 6-diazo-5,6-dihydro-5-oxo-, 4-benzoyl-2,3-dihydroxyphenyl ester
cas: 2481-86-9
chemspiderid: 68117
dtxsid: DTXSID7062457
formula: C23H14N2O7S1
inchikey: IHIUTOYYKWPVFZ-UHFFFAOYSA-N
norman_susdat_id: NS00027741
pubchem_cid: NA
smiles: Oc1c(OS(=O)(=O)c2c3C=CC(=[N+]=[N-])C(=O)c3ccc2)ccc(C(=O)c2ccccc2)c1O
inchi:
InChI=1S/C23H14N2O7S/c24-25-17-11-9-14-15(21(17)27)7-4-8-19(14)33(30,31)32-18-12-10-16(22(28)23(18)29)20(26)13-5-2-1-3-6-13/h1-12,28-29H


name: 1-[(2-hydroxynaphthyl)methyl]-2-naphthyl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate
cas: 2481-91-6
dtxsid: DTXSID60947725
formula: C31H21N2O5S
inchikey: JSLRLHQGFHBXED-UHFFFAOYSA-N
norman_susdat_id: NS00046822
pubchem_cid: NA
smiles: [N-]=[N+]=C1C=CC=2C(=CC=CC2S(=O)(=O)OC=3C=CC=4C=CC=CC4C3CC5=C(O)C=CC=6C=CC=CC65)C1=O
inchi:
InChI=1/C31H20N2O5S/c32-33-27-15-14-23-24(31(27)35)10-5-11-30(23)39(36,37)38-29-17-13-20-7-2-4-9-22(20)26(29)18-25-21-8-3-1-6-19(21)12-16-28(25)34/h1-17,34H,18H2


name: Rescinnamine
cas: 24815-24-5
chebiid: CHEBI:28572
chemspiderid: 4444446
dtxsid: DTXSID3023554
formula: C35H42N2O9
inchikey: SZLZWPPUNLXJEA-QEGASFHISA-N
norman_susdat_id: NS00003329
pubchem_cid: 5280954
inchi:
InChI=1S/C35H42N2O9/c1-40-21-8-9-22-23-11-12-37-18-20-15-29(46-30(38)10-7-19-13-27(41-2)33(43-4)28(14-19)42-3)34(44-5)31(35(39)45-6)24(20)17-26(37)32(23)36-25(22)16-21/h7-10,13-14,16,20,24,26,29,31,34,36H,11-12,15,17-18H2,1-6H3/b10-7+/t20-,24+,26-,29-,31+,34+/m1/s1

smiles:
CO[C@H]1[C@@H](C[C@@H]2CN3CCc4c([nH]c5cc(OC)ccc45)[C@H]3C[C@@H]2[C@@H]1C(=O)OC)OC(=O)C=Cc1cc(OC)c(OC)c(OC)c1


cas: 24815-31-4
formula: C22H24N2O9.xC12H26O4S
inchikey: CVKHKBLQSRTYGO-UHFFFAOYSA-N
norman_susdat_id: NS00083757
smiles: CCCCCCCCCCOS(=O)(=O)O.CN(C)C1C2C(O)C3C(=C(O)C2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4C3(C)O
name:
Decyl hydrogen sulphate, compound with 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxonaphthacene-2-carboxamide

inchi:
InChI=1/C22H24N2O9.C10H22O4S/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);2-10H2,1H3,(H,11,12,13)


name: Trihexyl 2-(acetyloxy)propane-1,2,3-tricarboxylate
cas: 24817-92-3
chemspiderid: 81817
dtxsid: DTXSID3051915
formula: C26H46O8
inchikey: TUUQISRYLMFKOG-UHFFFAOYSA-N
norman_susdat_id: NS00013336
pubchem_cid: 90617
smiles: CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(OC(C)=O)C(=O)OCCCCCC
inchi:
InChI=1S/C26H46O8/c1-5-8-11-14-17-31-23(28)20-26(34-22(4)27,25(30)33-19-16-13-10-7-3)21-24(29)32-18-15-12-9-6-2/h5-21H2,1-4H3


name: Aluminium clofibrate
cas: 24818-79-9
chebiid: CHEBI:31194
formula: C20H21AlCl2O7
inchikey: USWVMPGQVYZHCA-UHFFFAOYSA-K
norman_susdat_id: NS00083752
smiles: CC(C)(Oc1ccc(Cl)cc1)C(=O)O[Al](O)OC(=O)C(C)(C)Oc2ccc(Cl)cc2
inchi:
InChI=1/2C10H11ClO3.Al.H2O/c2*1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;;/h2*3-6H,1-2H3,(H,12,13);;1H2/q;;+3;/p-3/rC20H21AlCl2O7/c1-19(2,27-15-9-5-13(22)6-10-15)17(24)29-21(26)30-18(25)20(3,4)28-16-11-7-14(23)8-12-16/h5-12,26H,1-4H3


name: Diethyl (diphenylmethylene)malonate
cas: 24824-36-0
dtxsid: DTXSID90947733
formula: C20H20O4
inchikey: SCJORYSROIFVSH-UHFFFAOYSA-N
norman_susdat_id: NS00049653
pubchem_cid: 90621
smiles: O=C(OCC)C(C(=O)OCC)=C(C=1C=CC=CC1)C=2C=CC=CC2
inchi:
InChI=1/C20H20O4/c1-3-23-19(21)18(20(22)24-4-2)17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3


name: Hexyl 3-octyloxiran-2-octanoate
cas: 24824-70-2
dtxsid: DTXSID50947734
formula: C24H46O3
inchikey: OCUXLSGBNRCHFU-UHFFFAOYSA-N
norman_susdat_id: NS00049643
pubchem_cid: 91236
smiles: O=C(OCCCCCC)CCCCCCCC1OC1CCCCCCCC
inchi:
InChI=1/C24H46O3/c1-3-5-7-9-11-14-18-22-23(27-22)19-15-12-10-13-16-20-24(25)26-21-17-8-6-4-2/h22-23H,3-21H2,1-2H3


name: 1,3-Diethyl-1-(4-nitrophenyl)-3-phenylurea
cas: 24827-78-9
chemspiderid: 81822
dtxsid: DTXSID70179535
formula: C17H19N3O3
inchikey: MWQXCGJYCCBRJK-UHFFFAOYSA-N
norman_susdat_id: NS00027743
pubchem_cid: 90622
smiles: CCN(C(=O)N(CC)c1ccc(cc1)[N+](=O)[O-])c1ccccc1
inchi:
InChI=1S/C17H19N3O3/c1-3-18(14-8-6-5-7-9-14)17(21)19(4-2)15-10-12-16(13-11-15)20(22)23/h5-13H,3-4H2,1-2H3


name: Methyl (S)-cyclopent-2-ene-1-tridecanoate
cas: 24828-59-9
formula: C19H34O2
inchikey: PEZOXKYCEXAUDW-GOSISDBHSA-N
norman_susdat_id: NS00050371
pubchem_cid: 21116634
smiles: O=C(OC)CCCCCCCCCCCCC1C=CCC1
inchi:
InChI=1/C19H34O2/c1-21-19(20)17-11-9-7-5-3-2-4-6-8-10-14-18-15-12-13-16-18/h12,15,18H,2-11,13-14,16-17H2,1H3


name: METHYL GORLATE
cas: 24828-60-2
dtxsid: DTXSID70422290
formula: C19H32O2
inchikey: FWVHFWVSFHFRBX-HYXAFXHYSA-N
norman_susdat_id: NS00096294
smiles: COC(=O)CCCCC=C/CCCCCCC1CCC=C1
inchi:
InChI=1S/C19H32O2/c1-21-19(20)17-11-9-7-5-3-2-4-6-8-10-14-18-15-12-13-16-18/h3,5,12,15,18H,2,4,6-11,13-14,16-17H2,1H3/b5-3-


name: Laquinimod
cas: 248281-84-7
chebiid: CHEBI:134738
dtxsid: DTXSID30179536
formula: C19H17ClN2O3
inchikey: GKWPCEFFIHSJOE-UHFFFAOYSA-N
norman_susdat_id: NS00073179
pubchem_cid: 54677946
smiles: CCN(C(=O)c1c(O)c2c(Cl)cccc2n(C)c1=O)c1ccccc1
inchi:
InChI=1S/C19H17ClN2O3/c1-3-22(12-8-5-4-6-9-12)19(25)16-17(23)15-13(20)10-7-11-14(15)21(2)18(16)24/h4-11,23H,3H2,1-2H3


name: Paquinimod
cas: 248282-01-1
dtxsid: DTXSID90179537
formula: C21H22N2O3
inchikey: DIKSYHCCYVYKRO-UHFFFAOYSA-N
norman_susdat_id: NS00073307
pubchem_cid: 54684617
smiles: CCc1cccc2c1c(O)c(C(=O)N(CC)c1ccccc1)c(=O)n2C
inchi:
InChI=1S/C21H22N2O3/c1-4-14-10-9-13-16-17(14)19(24)18(20(25)22(16)3)21(26)23(5-2)15-11-7-6-8-12-15/h6-13,24H,4-5H2,1-3H3


name: N2-(tert-butoxycarbonyl)-N6-formyl-L-lysine
cas: 2483-47-8
formula: C12H22N2O5
inchikey: QYCPNUMTVZBTMM-VIFPVBQESA-N
norman_susdat_id: NS00045550
pubchem_cid: 1581890
smiles: O=CNCCCCC(NC(=O)OC(C)(C)C)C(=O)O
inchi:
InChI=1/C12H22N2O5/c1-12(2,3)19-11(18)14-9(10(16)17)6-4-5-7-13-8-15/h8-9H,4-7H2,1-3H3,(H,13,15)(H,14,18)(H,16,17)


name: 4-nitrophenyl N-[(1,1-dimethylethoxy)carbonyl]-L-alaninate
cas: 2483-49-0
dtxsid: DTXSID30947737
formula: C14H19N2O6
inchikey: SUHFNHHZORGDFI-VIFPVBQESA-N
norman_susdat_id: NS00046267
pubchem_cid: 7021877
smiles: O=C(OC(C)(C)C)NC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])C
inchi:
InChI=1/C14H18N2O6/c1-9(15-13(18)22-14(2,3)4)12(17)21-11-7-5-10(6-8-11)16(19)20/h5-9H,1-4H3,(H,15,18)


name: 1,3,5-Triazine-2,4-diamine, 6,6'-dithiobis[N,N,N'-triethyl-
cas: 24831-41-2
chemspiderid: 81825
dtxsid: DTXSID8067026
formula: C18H32N10S2
inchikey: YJMUGCWPZVMLMP-UHFFFAOYSA-N
norman_susdat_id: NS00027744
pubchem_cid: 90625
smiles: CCNc1nc(nc(SSc2nc(nc(NCC)n2)N(CC)CC)n1)N(CC)CC
inchi:
InChI=1S/C18H32N10S2/c1-7-19-13-21-15(27(9-3)10-4)25-17(23-13)29-30-18-24-14(20-8-2)22-16(26-18)28(11-5)12-6/h7-12H2,1-6H3,(H,19,21,23,25)(H,20,22,24,26)


name: 2-Benzoyl-N-(2-hydroxyethyl)-N-methylbenzamide
cas: 24833-47-4
chemspiderid: 81826
dtxsid: DTXSID60179544
formula: C17H17N1O3
inchikey: YQOHPRYMRZWLTA-UHFFFAOYSA-N
norman_susdat_id: NS00027745
pubchem_cid: 90626
smiles: CN(CCO)C(=O)c1c(cccc1)C(=O)c1ccccc1
inchi:
InChI=1S/C17H17NO3/c1-18(11-12-19)17(21)15-10-6-5-9-14(15)16(20)13-7-3-2-4-8-13/h2-10,19H,11-12H2,1H3


name: (17ß)-hydroxyandrosta-4,6-dien-3-one
cas: 2484-30-2
chebiid: CHEBI:29117
formula: C19H26O2
inchikey: UMDCOKNNLDEKJB-DYKIIFRCSA-N
norman_susdat_id: NS00046283
pubchem_cid: 17209
smiles: O=C1C=C2C=CC3C(CCC4(C)C(O)CCC34)C2(C)CC1
inchi:
InChI=1/C19H26O2/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/h3-4,11,14-17,21H,5-10H2,1-2H3


name: Allyltributylstannane
cas: 24850-33-7
dtxsid: DTXSID50179553
formula: C15H32Sn
inchikey: YLGRTLMDMVAFNI-UHFFFAOYSA-N
norman_susdat_id: NS00050903
pubchem_cid: NA
smiles: C=CC[Sn](CCCC)(CCCC)CCCC
inchi:
InChI=1/3C4H9.C3H5.Sn/c3*1-3-4-2;1-3-2;/h3*1,3-4H2,2H3;3H,1-2H2;/rC15H32Sn/c1-5-9-13-16(12-8-4,14-10-6-2)15-11-7-3/h8H,4-7,9-15H2,1-3H3


name: Orysastrobin
cas: 248593-16-0
chemspiderid: 28296306
dtxsid: DTXSID3058036
formula: C18H25N5O5
inchikey: JHIPUJPTQJYEQK-UHFFFAOYSA-N
norman_susdat_id: NS00002380
pubchem_cid: 72980153
smiles: CNC(=O)C(=NOC)c1ccccc1CON=C(C)C(=NOC)C(C)=NOC
inchi:
InChI=1S/C18H25N5O5/c1-12(20-25-4)16(22-26-5)13(2)21-28-11-14-9-7-8-10-15(14)17(23-27-6)18(24)19-3/h7-10H,11H2,1-6H3,(H,19,24)


name: 1-ethyl-4-oxo-6-prop-2-enoxyquinoline-2-carboxylic acid
cas: 248596-48-7
dtxsid: DTXSID60384277
formula: C15H15NO4
inchikey: WFBUDHFYCAROCH-UHFFFAOYSA-N
norman_susdat_id: NS00098078
smiles: CCN1C2=C(C=C(C=C2)OCC=C)C(=O)C=C1C(=O)O
inchi:
InChI=1S/C15H15NO4/c1-3-7-20-10-5-6-12-11(8-10)14(17)9-13(15(18)19)16(12)4-2/h3,5-6,8-9H,1,4,7H2,2H3,(H,18,19)


name: Didodecylammonium chloride
cas: 2486-85-3
formula: C24H51N.ClH
inchikey: SWWQNNDPJXYCNJ-UHFFFAOYSA-N
norman_susdat_id: NS00081912
smiles: [Cl-].CCCCCCCCCCCC[NH2+]CCCCCCCCCCCC
inchi:
InChI=1/C24H51N.ClH/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2;/h25H,3-24H2,1-2H3;1H


name: 11beta,17,21-Trihydroxypregn-4-ene-3,20-dione 21-pivalate
cas: 24869-41-8
chemspiderid: 19973168
dtxsid: DTXSID90179577
formula: C26H38O6
inchikey: AQJJGJDBTXHKCP-XDANTLIUSA-N
norman_susdat_id: NS00027758
pubchem_cid: 21116701
smiles: CC(C)(C)C(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C
inchi:
InChI=1S/C26H38O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h12,17-19,21,28,31H,6-11,13-14H2,1-5H3/t17-,18+,19-,21+,24-,25+,26-/m0/s1


name: Barium dilinoleate
cas: 24871-38-3
formula: C18H32O2.1/2Ba
inchikey: QBILLZMIGFLUPO-GRVYQHKQSA-L
norman_susdat_id: NS00084007
smiles: [Ba+2].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-].CCCCC\C=C/C\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H32O2.Ba/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: Docosapentaenoic
cas: 24880-45-3
dtxsid: DTXSID6074758
formula: C22H34O2
inchikey: YUFFSWGQGVEMMI-UHFFFAOYSA-N
norman_susdat_id: NS00077084
smiles: CCC=CCC=CCC=CCC=CCC=CCCCCCC(O)=O
inchi:
InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16H,2,5,8,11,14,17-21H2,1H3,(H,23,24)


cas: 24886-39-3
formula: C17H15ClN4O4S
inchikey: DFFCGGPSQUCANU-UHFFFAOYSA-N
norman_susdat_id: NS00050904
pubchem_cid: 91240
smiles: O=C1N(N=C(C)C1N=NC2=CC(=CC=C2O)S(=O)(=O)C)C=3C=CC=C(Cl)C3
name:
2-(3-chlorophenyl)-2,4-dihydro-4-[[2-hydroxy-5-(methylsulphonyl)phenyl]azo]-5-methyl-3H-pyrazol-3-one

inchi:
InChI=1/C17H15ClN4O4S/c1-10-16(17(24)22(21-10)12-5-3-4-11(18)8-12)20-19-14-9-13(27(2,25)26)6-7-15(14)23/h3-9,16,23H,1-2H3


name: 7-[3-(benzylamino)propyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
cas: 24890-70-8
dtxsid: DTXSID60179589
formula: C17H21N5O2
inchikey: OVKWXBYMGXFCRZ-UHFFFAOYSA-N
norman_susdat_id: NS00049622
pubchem_cid: 90641
smiles: O=C1C2=C(N=CN2CCCNCC=3C=CC=CC3)N(C(=O)N1C)C
inchi:
InChI=1/C17H21N5O2/c1-20-15-14(16(23)21(2)17(20)24)22(12-19-15)10-6-9-18-11-13-7-4-3-5-8-13/h3-5,7-8,12,18H,6,9-11H2,1-2H3


name: Quino[2,3-b]acridine-6,7,13,14(5H,12H)-tetrone, 2,9-dichloro-
cas: 2490-60-0
chemspiderid: 68128
dtxsid: DTXSID6062462
formula: C20H8Cl2N2O4
inchikey: LGVIDCRFSIRUGG-UHFFFAOYSA-N
norman_susdat_id: NS00027765
pubchem_cid: 75604
smiles: Clc1cc2c([nH]c3c(c(=O)c4c(c3=O)c(=O)c3c([nH]4)ccc(Cl)c3)c2=O)cc1
inchi:
InChI=1S/C20H8Cl2N2O4/c21-7-1-3-11-9(5-7)17(25)13-15(23-11)19(27)14-16(20(13)28)24-12-4-2-8(22)6-10(12)18(14)26/h1-6H,(H,23,25)(H,24,26)


name: 9-Octadecenoic acid (9Z)-, anhydride
cas: 24909-72-6
chemspiderid: 4516817
dtxsid: DTXSID7067031
formula: C36H66O3
inchikey: OCNZHGHKKQOQCZ-UHFFFAOYSA-N
norman_susdat_id: NS00019713
pubchem_cid: 90647
smiles: CCCCCCCC/C=CCCCCCCCC(=O)OC(=O)CCCCCCC/C=CCCCCCCCC
inchi:
InChI=1S/C36H66O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(37)39-36(38)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-34H2,1-2H3/b19-17-,20-18-


name: Pregnane
cas: 24909-91-9
chebiid: CHEBI:8386
dtxsid: DTXSID10425881
formula: C21H36
inchikey: JWMFYGXQPXQEEM-WZBAXQLOSA-N
norman_susdat_id: NS00095888
smiles: CC[C@H]1CC[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C
inchi:
InChI=1S/C21H36/c1-4-15-9-11-18-17-10-8-16-7-5-6-13-20(16,2)19(17)12-14-21(15,18)3/h15-19H,4-14H2,1-3H3/t15-,16?,17-,18-,19-,20-,21+/m0/s1


name: 4-[2-[(cyclohexylcarbonimidoyl)amino]ethyl]-4-methylmorpholinium toluene-p-sulphonate
cas: 2491-17-0
dtxsid: DTXSID90947798
formula: C14H26N3O
inchikey: GBCAVSYHPPARHX-UHFFFAOYSA-M
norman_susdat_id: NS00046864
pubchem_cid: 17220
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.C(=NCC[N+]1(C)CCOCC1)=NC2CCCCC2
inchi:
InChI=1/C14H26N3O.C7H8O3S/c1-17(9-11-18-12-10-17)8-7-15-13-16-14-5-3-2-4-6-14;1-6-2-4-7(5-3-6)11(8,9)10/h14H,2-12H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: Sodium 4'-aminoazobenzene-4-sulphonate
cas: 2491-71-6
formula: C12H11N3O3S.Na
inchikey: FIXVWFINKCQNFG-UHFFFAOYSA-M
norman_susdat_id: NS00081580
smiles: [Na+].Nc1ccc(cc1)N=Nc2ccc(cc2)S(=O)(=O)[O-]
inchi:
InChI=1/C12H11N3O3S.Na/c13-9-1-3-10(4-2-9)14-15-11-5-7-12(8-6-11)19(16,17)18;/h1-8H,13H2,(H,16,17,18);/q;+1/p-1


cas: 24910-74-5
formula: C23H21N3O8S2.2Na
inchikey: IOXGVKGDAGIFSV-UHFFFAOYSA-L
norman_susdat_id: NS00083744
smiles: [Na+].[Na+].Cc1c(N)c(C)c(c(C)c1Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])S(=O)(=O)[O-]
name:
Disodium 1-amino-4-[(3-amino-2,4,6-trimethyl-5-sulphonatophenyl)amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C23H21N3O8S2.2Na/c1-9-18(24)10(2)23(36(32,33)34)11(3)20(9)26-14-8-15(35(29,30)31)19(25)17-16(14)21(27)12-6-4-5-7-13(12)22(17)28;;/h4-8,26H,24-25H2,1-3H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2


name: Sparteine
cas: 24915-04-6
dtxsid: DTXSID80179627
formula: C15H26N2
inchikey: SLRCCWJSBJZJBV-AJNGGQMLSA-N
norman_susdat_id: NS00099109
pubchem_cid: 168213
smiles: C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]2C1
inchi:
InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15-/m0/s1


name: Spiramycin I
cas: 24916-50-5
dtxsid: DTXSID9023594
formula: C43H74N2O14
inchikey: ACTOXUHEUCPTEW-BWHGAVFKSA-N
norman_susdat_id: NS00093650
inchi:
InChI=1S/C43H74N2O14/c1-24-21-29(19-20-46)39(59-42-37(49)36(45(9)10)38(27(4)56-42)58-35-23-43(6,51)41(50)28(5)55-35)40(52-11)31(47)22-33(48)53-25(2)15-13-12-14-16-32(24)57-34-18-17-30(44(7)8)26(3)54-34/h12-14,16,20,24-32,34-42,47,49-51H,15,17-19,21-23H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27-,28+,29+,30+,31-,32+,34-,35+,36-,37-,38-,39+,40+,41+,42+,43-/m1/s1

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


name: Spiramycin III
cas: 24916-52-7
chemspiderid: 4447666
dtxsid: DTXSID9023596
formula: C46H78N2O15
inchikey: HSZLKTCKAYXVBX-HHTHJJQKSA-N
norman_susdat_id: NS00011682
pubchem_cid: 5284621
inchi:
InChI=1S/C46H78N2O15/c1-13-35(50)60-34-24-36(51)56-27(3)17-15-14-16-18-33(61-37-20-19-32(47(8)9)28(4)57-37)26(2)23-31(21-22-49)42(43(34)55-12)63-45-40(52)39(48(10)11)41(29(5)59-45)62-38-25-46(7,54)44(53)30(6)58-38/h14-16,18,22,26-34,37-45,52-54H,13,17,19-21,23-25H2,1-12H3/b15-14+,18-16+/t26-,27-,28-,29-,30+,31+,32+,33+,34-,37-,38+,39-,40-,41-,42+,43+,44+,45+,46-/m1/s1

smiles:
CCC(=O)O[C@@H]1CC(=O)O[C@@H](C/C=C/C=C/[C@@H]([C@@H](C[C@@H]([C@@H]([C@H]1OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)O)(C)O)N(C)C)O)CC=O)C)O[C@@H]4CC[C@@H]([C@H](O4)C)N(C)C)C


name: 9Î²,11Î²-epoxy-17,21-dihydroxy-16Î±-methylpregna-1,4-diene-3,20-dione
cas: 24916-90-3
chemspiderid: 82393
formula: C22H28O5
inchikey: GBDXNHBVYAMODG-UHFFFAOYSA-N
norman_susdat_id: NS00006938
pubchem_cid: 91242
smiles: CC1CC2C3CCC4=CC(=O)C=CC4(C)C33OC3CC2(C)C1(O)C(=O)CO
inchi:
InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-19(13,2)22(15)18(27-22)10-20(16,3)21(12,26)17(25)11-23/h6-7,9,12,15-16,18,23,26H,4-5,8,10-11H2,1-3H3


name: [(2,4-dichlorophenyl)methyl]triphenylphosphonium chloride
cas: 2492-23-1
dtxsid: DTXSID20947802
formula: C25H20Cl2P
inchikey: FWBSWSPGFNAXPP-UHFFFAOYSA-M
norman_susdat_id: NS00046335
pubchem_cid: 196999
smiles: [Cl-].ClC1=CC=C(C(Cl)=C1)C[P+](C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C25H20Cl2P.ClH/c26-21-17-16-20(25(27)18-21)19-28(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24;/h1-18H,19H2;1H/q+1;/p-1


name: (3,4-dichlorobenzyl)dimethyltetradecylammonium chloride
cas: 24922-77-8
dtxsid: DTXSID00885278
formula: C23H40Cl2N
inchikey: FXDFJQRWOQTUJP-UHFFFAOYSA-M
norman_susdat_id: NS00050208
pubchem_cid: 64681
smiles: [Cl-].ClC1=CC=C(C=C1Cl)C[N+](C)(C)CCCCCCCCCCCCCC
inchi:
InChI=1/C23H40Cl2N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-18-26(2,3)20-21-16-17-22(24)23(25)19-21;/h16-17,19H,4-15,18,20H2,1-3H3;1H/q+1;/p-1


name: N-Allyl-N-ethyl-perfluorooctanesulfonamide
cas: 24924-36-5
chemspiderid: 81851
dtxsid: DTXSID7067033
formula: C13H10F17N1O2S1
inchikey: ALIDKXPAUJUDJU-UHFFFAOYSA-N
norman_susdat_id: NS00011322
pubchem_cid: 90656
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=C)C
inchi:
InChI=1S/C13H10F17NO2S/c1-3-5-31(4-2)34(32,33)13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28/h3H,1,4-5H2,2H3


name: 4-Nonyl-N-(4-nonylphenyl)benzenamine
cas: 24925-59-5
chemspiderid: 81673
dtxsid: DTXSID30179632
formula: C30H47N1
inchikey: FCQAFXHLHBGGSK-UHFFFAOYSA-N
norman_susdat_id: NS00021932
pubchem_cid: 90657
smiles: CCCCCCCCCc1ccc(Nc2ccc(CCCCCCCCC)cc2)cc1
inchi:
InChI=1S/C30H47N/c1-3-5-7-9-11-13-15-17-27-19-23-29(24-20-27)31-30-25-21-28(22-26-30)18-16-14-12-10-8-6-4-2/h19-26,31H,3-18H2,1-2H3


name: (1,2-dithioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl) dioctanoate
cas: 24928-72-1
dtxsid: DTXSID70947812
formula: C22H40N2O4S2
inchikey: FQTFRQGCMXFYGR-UHFFFAOYSA-N
norman_susdat_id: NS00050217
pubchem_cid: NA
smiles: O=C(OCCN=C(S)C(S)=NCCOC(=O)CCCCCCC)CCCCCCC
inchi:
InChI=1/C22H40N2O4S2/c1-3-5-7-9-11-13-19(25)27-17-15-23-21(29)22(30)24-16-18-28-20(26)14-12-10-8-6-4-2/h3-18H2,1-2H3,(H,23,29)(H,24,30)


name: 1-Amino-9,10-dihydro-4-hydroxy-9,10-dioxoanthracene-2-sulphonic acid
cas: 24929-02-0
chemspiderid: 81854
dtxsid: DTXSID90179638
formula: C14H9N1O6S1
inchikey: ZGDOXWZYKDETSP-UHFFFAOYSA-N
norman_susdat_id: NS00020613
pubchem_cid: 90659
smiles: Nc1c2C(=O)c3c(cccc3)C(=O)c2c(O)cc1S(=O)(=O)O
inchi:
InChI=1S/C14H9NO6S/c15-12-9(22(19,20)21)5-8(16)10-11(12)14(18)7-4-2-1-3-6(7)13(10)17/h1-5,16H,15H2,(H,19,20,21)


name: N-(8-aminooctyl)-1,2,3,4-tetrahydroacridin-9-amine
cas: 249290-19-5
dtxsid: DTXSID10349679
formula: C21H31N3
inchikey: LFBAUYQQFKFFCF-UHFFFAOYSA-N
norman_susdat_id: NS00070768
smiles: NCCCCCCCCNc1c2c(nc3ccccc13)CCCC2
inchi:
InChI=1S/C21H31N3/c22-15-9-3-1-2-4-10-16-23-21-17-11-5-7-13-19(17)24-20-14-8-6-12-18(20)21/h5,7,11,13H,1-4,6,8-10,12,14-16,22H2,(H,23,24)


name: 2-[4-[(1,3-dioxo-3-phenylpropyl)amino]phenyl]-1-octadecyl-1H-benzimidazole-5-sulphonate
cas: 24939-64-8
formula: C40H53N3O5S.Na
inchikey: ZCDJHOQJPIXSCQ-UHFFFAOYSA-M
norman_susdat_id: NS00084025
smiles: CCCCCCCCCCCCCCCCCCn1c(nc2cc(ccc12)S(=O)(=O)[O-])c3ccc(NC(=O)CC(=O)c4ccccc4)cc3
inchi:
InChI=1/C40H53N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29-43-37-28-27-35(49(46,47)48)30-36(37)42-40(43)33-23-25-34(26-24-33)41-39(45)31-38(44)32-21-18-17-19-22-32/h17-19,21-28,30H,2-16,20,29,31H2,1H3,(H,41,45)(H,46,47,48)/p-1


name: 2-Heptadecyl-3H-pyrazolo(1,5-a)benzimidazole-6-sulphonic acid
cas: 24939-67-1
chemspiderid: 81856
dtxsid: DTXSID10179655
formula: C26H41N3O3S1
inchikey: PPVCZORCMVDSHM-UHFFFAOYSA-N
norman_susdat_id: NS00027772
pubchem_cid: 90661
smiles: CCCCCCCCCCCCCCCCCC1=Nn2c(C1)nc1c2ccc(c1)S(=O)(=O)O
inchi:
InChI=1S/C26H41N3O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-20-26-27-24-21-23(33(30,31)32)18-19-25(24)29(26)28-22/h18-19,21H,2-17,20H2,1H3,(H,30,31,32)


name: 1,3-Naphthalenedisulfonic acid, 7-[(4-amino-2-methylphenyl)azo]-
cas: 2494-93-1
chemspiderid: 68140
dtxsid: DTXSID6062466
formula: C17H15N3O6S2
inchikey: LKAKVHLFQWPGQR-UHFFFAOYSA-N
norman_susdat_id: NS00027775
pubchem_cid: 75616
smiles: Cc1c(ccc(N)c1)N=Nc1cc2c(cc1)cc(cc2S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C17H15N3O6S2/c1-10-6-12(18)3-5-16(10)20-19-13-4-2-11-7-14(27(21,22)23)9-17(15(11)8-13)28(24,25)26/h2-9H,18H2,1H3,(H,21,22,23)(H,24,25,26)/b20-19+


name: 6-(oleoyloxy)-L-ascorbic acid
cas: 2495-84-3
formula: C24H40O7
inchikey: JPBAVLUULZJFFO-UHFFFAOYSA-N
norman_susdat_id: NS00045200
pubchem_cid: NA
smiles: O=C1OC(C(O)=C1O)C(O)COC(=O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C24H40O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(26)30-18-19(25)23-21(27)22(28)24(29)31-23/h9-10,19,23,25,27-28H,2-8,11-18H2,1H3


name: Immucillin A
cas: 249503-25-1
formula: C11H15N5O3
inchikey: AMFDITJFBUXZQN-KUBHLMPHSA-N
norman_susdat_id: NS00070856
pubchem_cid: 10445549
smiles: Nc1ncnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12
inchi:
InChI=1S/C11H15N5O3/c12-11-8-6(14-3-15-11)4(1-13-8)7-10(19)9(18)5(2-17)16-7/h1,3,5,7,9-10,13,16-19H,2H2,(H2,12,14,15)/t5-,7+,9-,10+/m1/s1


name: Cholest-5-en-3ß-yl crotonate
cas: 24951-77-7
formula: C31H50O2
inchikey: WAPKZPLWLMQRHV-SSGLBJFFSA-N
norman_susdat_id: NS00049645
pubchem_cid: 6438033
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)C=CC
inchi:
InChI=1/C31H50O2/c1-7-9-29(32)33-24-16-18-30(5)23(20-24)12-13-25-27-15-14-26(22(4)11-8-10-21(2)3)31(27,6)19-17-28(25)30/h7,9,12,21-22,24-28H,8,10-11,13-20H2,1-6H3


name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 4-methylbenzene-1-sulfonate
cas: 24962-65-0
dtxsid: DTXSID50306049
formula: C15H9F15O3S
inchikey: OTZYGTLBGUNRBX-UHFFFAOYSA-N
norman_susdat_id: NS00110529
smiles: CC1=CC=C(C=C1)S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C15H9F15O3S/c1-7-2-4-8(5-3-7)34(31,32)33-6-9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h2-5H,6H2,1H3


name: N-acetyl-2,3-didehydro-2-deoxyneuraminic acid
cas: 24967-27-9
dtxsid: DTXSID80179682
formula: C11H17NO8
inchikey: JINJZWSZQKHCIP-UHFFFAOYSA-N
norman_susdat_id: NS00049646
pubchem_cid: 1553
smiles: O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1
inchi:
InChI=1/C11H17NO8/c1-4(14)12-8-5(15)2-7(11(18)19)20-10(8)9(17)6(16)3-13/h2,5-6,8-10,13,15-17H,3H2,1H3,(H,12,14)(H,18,19)


name: 20-(4-(1,1,3,3-Tetramethylbutyl)phenoxy)-3,6,9,12,15,18-hexaoxaicosan-1-ol
cas: 2497-59-8
chemspiderid: 68144
dtxsid: DTXSID60179685
formula: C28H50O8
inchikey: HNLXNOZHXNSSPN-UHFFFAOYSA-N
norman_susdat_id: NS00027780
pubchem_cid: 75622
smiles: CC(C)(C)CC(C)(C)c1ccc(OCCOCCOCCOCCOCCOCCOCCO)cc1
inchi:
InChI=1S/C28H50O8/c1-27(2,3)24-28(4,5)25-6-8-26(9-7-25)36-23-22-35-21-20-34-19-18-33-17-16-32-15-14-31-13-12-30-11-10-29/h6-9,29H,10-24H2,1-5H3


name: Sodium 2-(3-amino-2,4,6-triiodobenzyl)butyrate
cas: 2497-78-1
formula: C11H12I3NO2.Na
inchikey: LEXZDSSHLHPSQC-UHFFFAOYSA-M
norman_susdat_id: NS00081350
smiles: [Na+].CCC(Cc1c(I)cc(I)c(N)c1I)C(=O)[O-]
inchi:
InChI=1/C11H12I3NO2.Na/c1-2-5(11(16)17)3-6-7(12)4-8(13)10(15)9(6)14;/h4-5H,2-3,15H2,1H3,(H,16,17);/q;+1/p-1


name: N-[2-(N-ethyl-m-toluidino)ethyl]phthalimide
cas: 2498-02-4
dtxsid: DTXSID5062471
formula: C19H20N2O2
inchikey: BMYMLHZMMRCSDA-UHFFFAOYSA-N
norman_susdat_id: NS00046444
pubchem_cid: 75623
smiles: O=C1C=2C=CC=CC2C(=O)N1CCN(C3=CC=CC(=C3)C)CC
inchi:
InChI=1/C19H20N2O2/c1-3-20(15-8-6-7-14(2)13-15)11-12-21-18(22)16-9-4-5-10-17(16)19(21)23/h4-10,13H,3,11-12H2,1-2H3


name: Tetrapentylammonium iodide
cas: 2498-20-6
formula: C20H44N.I
inchikey: FBLZDUAOBOMSNZ-UHFFFAOYSA-M
norman_susdat_id: NS00082003
smiles: [I-].CCCCC[N+](CCCCC)(CCCCC)CCCCC
inchi:
InChI=1/C20H44N.HI/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1


name: Deoxy-5-methylcytidylic acid
cas: 2498-41-1
chebiid: CHEBI:16764
chemspiderid: 92398
dtxsid: DTXSID90179693
formula: C10H16N3O7P1
inchikey: RGDVNLHBCKWZDA-XLPZGREQSA-N
norman_susdat_id: NS00027782
pubchem_cid: 102276
smiles: Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)O)O2)c(=O)nc1N
inchi:
InChI=1S/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(20-8)4-19-21(16,17)18/h3,6-8,14H,2,4H2,1H3,(H2,11,12,15)(H2,16,17,18)/t6-,7+,8+/m0/s1


cas: 2498-95-5
dtxsid: DTXSID20889455
formula: C27H24N4O7S3
inchikey: RXTSUBROMXGEJZ-ZAWKPCBGSA-L
norman_susdat_id: NS00045818
pubchem_cid: 6441281
name:
Disodium 2-[4-[[2-cyano-3-[4-[methyl(2-sulphonatoethyl)amino]phenyl]-1-oxoallyl]amino]phenyl]-6-methylbenzothiazole-7-sulphonate

inchi:
InChI=1/C27H24N4O7S3.2Na/c1-17-3-12-23-24(25(17)41(36,37)38)39-27(30-23)19-6-8-21(9-7-19)29-26(32)20(16-28)15-18-4-10-22(11-5-18)31(2)13-14-40(33,34)35;;/h3-12,15H,13-14H2,1-2H3,(H,29,32)(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2

smiles:
[Na+].[Na+].N#CC(=CC1=CC=C(C=C1)N(C)CCS(=O)(=O)[O-])C(=O)NC2=CC=C(C=C2)C3=NC=4C=CC(=C(C4S3)S(=O)(=O)[O-])C


name: Diethyl(ethylmethylsilanolato)aluminium
cas: 24989-85-3
formula: C7H19AlOSi
inchikey: VFUCKRAKEVWGKR-UHFFFAOYSA-N
norman_susdat_id: NS00084037
smiles: CC[Al](CC)O[Si](C)CC
inchi:
InChI=1/C3H8OSi.2C2H5.Al/c1-3-5(2)4;2*1-2;/h3H2,1-2H3;2*1H2,2H3;/q-1;;;+1/rC7H18AlOSi/c1-5-8(6-2)9-10(4)7-3/h5-7H2,1-4H3


name: Anamorelin
cas: 249921-19-5
dtxsid: DTXSID20179702
formula: C31H42N6O3
inchikey: VQPFSIRUEPQQPP-MXBOTTGLSA-N
norman_susdat_id: NS00072505
pubchem_cid: 9828911
smiles: CN(C)N(C)C(=O)[C@@]1(Cc2ccccc2)CCCN(C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(C)(C)N)C1
inchi:
InChI=1S/C31H42N6O3/c1-30(2,32)28(39)34-26(18-23-20-33-25-15-10-9-14-24(23)25)27(38)37-17-11-16-31(21-37,29(40)36(5)35(3)4)19-22-12-7-6-8-13-22/h6-10,12-15,20,26,33H,11,16-19,21,32H2,1-5H3,(H,34,39)/t26-,31-/m1/s1


name: Disulfide, dioctadecyl
cas: 2500-88-1
chemspiderid: 68149
dtxsid: DTXSID5062475
formula: C36H74S2
inchikey: MQQKTNDBASEZSD-UHFFFAOYSA-N
norman_susdat_id: NS00006926
pubchem_cid: 75627
smiles: CCCCCCCCCCCCCCCCCCSSCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C36H74S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3


name: Perfluoro-5,6-dimethyl-4,7-dioxadecane
cas: 2501-01-1
chemspiderid: 92888
dtxsid: DTXSID80880185
formula: C10F22O2
inchikey: NJTNZAQULGOGAB-UHFFFAOYSA-N
norman_susdat_id: NS00018720
pubchem_cid: 102830
smiles: FC(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C10F22O2/c11-1(12,5(17,18)19)9(29,30)33-3(15,7(23,24)25)4(16,8(26,27)28)34-10(31,32)2(13,14)6(20,21)22


name: Tris(4-isopropylphenyl) phosphate
cas: 2502-15-0
chemspiderid: 68150
dtxsid: DTXSID80858783
formula: C27H33O4P1
inchikey: ANVREEJNGJMLOV-UHFFFAOYSA-N
norman_susdat_id: NS00003997
pubchem_cid: 75628
smiles: CC(C)c1ccc(OP(=O)(Oc2ccc(cc2)C(C)C)Oc2ccc(cc2)C(C)C)cc1
inchi:
InChI=1S/C27H33O4P/c1-19(2)22-7-13-25(14-8-22)29-32(28,30-26-15-9-23(10-16-26)20(3)4)31-27-17-11-24(12-18-27)21(5)6/h7-21H,1-6H3


name: N-(tert-butoxycarbonyl)-1-(2,4-dinitrophenyl)-L-histidine
cas: 25024-53-7
dtxsid: DTXSID30885281
formula: C17H21N5O8
inchikey: KPGVUOQMOHGHEW-LBPRGKRZSA-N
norman_susdat_id: NS00049647
pubchem_cid: 90690
smiles: O=C(OC(C)(C)C)NC(C(=O)O)CC=1N=CN(C1)C2=CC=C(C=C2[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1/C17H19N5O8/c1-17(2,3)30-16(25)19-12(15(23)24)6-10-8-20(9-18-10)13-5-4-11(21(26)27)7-14(13)22(28)29/h4-5,7-9,12H,6H2,1-3H3,(H,19,25)(H,23,24)


name: Enniatin A
cas: 2503-13-1
chebiid: CHEBI:64651
chemspiderid: 28184659
dtxsid: DTXSID90891863
formula: C36H63N3O9
inchikey: TWHBYJSVDCWICV-BHZTXFQCSA-N
norman_susdat_id: NS00094904
pubchem_cid: 57339252
inchi:
InChI=1S/C36H63N3O9/c1-16-22(10)25-34(43)46-29(20(6)7)32(41)38(14)27(24(12)18-3)36(45)48-30(21(8)9)33(42)39(15)26(23(11)17-2)35(44)47-28(19(4)5)31(40)37(25)13/h19-30H,16-18H2,1-15H3/t22-,23-,24-,25-,26-,27-,28+,29+,30+/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@@H](C)CC)C)C(C)C)[C@@H](C)CC)C)C(C)C


name: C.I. Direct Blue 78, tetrasodium salt
cas: 2503-73-3
chemspiderid: 21159659
dtxsid: DTXSID0041725
formula: C42H29N7O13S4
inchikey: MIJVKZQQSWANSK-BKTMREPHSA-J
norman_susdat_id: NS00019966
pubchem_cid: NA
inchi:
InChI=1S/C42H29N7O13S4/c50-42-40(66(60,61)62)21-24-20-26(43-25-6-2-1-3-7-25)10-13-29(24)41(42)49-47-35-16-15-34(30-8-4-5-9-31(30)35)44-46-37-18-17-36(32-14-11-27(22-33(32)37)63(51,52)53)45-48-38-23-28(64(54,55)56)12-19-39(38)65(57,58)59/h1-23,43,47H,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)/b46-44+,48-45+,49-41-

smiles:
[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1cc(N=Nc2c3ccc(cc3c(cc2)N=Nc2ccc(N/N=C/3C(=O)C(=Cc4c3ccc(Nc3ccccc3)c4)S(=O)(=O)[O-])c3ccccc23)S(=O)(=O)[O-])c(cc1)S(=O)(=O)[O-]


name: Glisoxepide
cas: 25046-79-1
chebiid: CHEBI:135731
chemspiderid: 30380
dtxsid: DTXSID9023097
formula: C20H27N5O5S1
inchikey: ZKUDBRCEOBOWLF-UHFFFAOYSA-N
norman_susdat_id: NS00010199
pubchem_cid: 32778
smiles: Cc1cc(no1)C(=O)NCCc1ccc(cc1)S(=O)(=O)NC(=O)NN1CCCCCC1
inchi:
InChI=1S/C20H27N5O5S/c1-15-14-18(23-30-15)19(26)21-11-10-16-6-8-17(9-7-16)31(28,29)24-20(27)22-25-12-4-2-3-5-13-25/h6-9,14H,2-5,10-13H2,1H3,(H,21,26)(H2,22,24,27)


name: Sodium 3-[[2-hydroxy-3-[(4-methoxy-o-tolyl)carbamoyl]-1-naphthyl]azo]-4-methoxybenzenesulphonate
cas: 25047-71-6
dtxsid: DTXSID90885282
formula: C26H23N3O7S
inchikey: DAEROULMYZMJRN-UHFFFAOYSA-M
norman_susdat_id: NS00050274
pubchem_cid: 168258
smiles: [Na+].O=C(NC1=CC=C(OC)C=C1C)C2=CC=3C=CC=CC3C(N=NC4=CC(=CC=C4OC)S(=O)(=O)[O-])=C2O
inchi:
InChI=1/C26H23N3O7S.Na/c1-15-12-17(35-2)8-10-21(15)27-26(31)20-13-16-6-4-5-7-19(16)24(25(20)30)29-28-22-14-18(37(32,33)34)9-11-23(22)36-3;/h4-14,30H,1-3H3,(H,27,31)(H,32,33,34);/q;+1/p-1


name: Propanenitrile, 3-[[2-(benzoyloxy)ethyl]phenylamino]-
cas: 25047-90-9
chemspiderid: 81886
dtxsid: DTXSID6067044
formula: C18H18N2O2
inchikey: UJTRMFNKHYGXDI-UHFFFAOYSA-N
norman_susdat_id: NS00027798
pubchem_cid: 90695
smiles: O=C(OCCN(CCC#N)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C18H18N2O2/c19-12-7-13-20(17-10-5-2-6-11-17)14-15-22-18(21)16-8-3-1-4-9-16/h1-6,8-11H,7,13-15H2


name: Sodium N-(2-carboxyethyl)-N-octadecyl-ß-alaninate
cas: 25054-73-3
formula: C24H47NO4.Na
inchikey: ZWTPGLDWRUXDAX-UHFFFAOYSA-M
norman_susdat_id: NS00084054
smiles: [Na+].CCCCCCCCCCCCCCCCCCN(CCC(=O)O)CCC(=O)[O-]
inchi:
InChI=1/C24H47NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(21-18-23(26)27)22-19-24(28)29;/h2-22H2,1H3,(H,26,27)(H,28,29);/q;+1/p-1


name: (carboxylatomethyl)didodecylmethylammonium
cas: 25054-74-4
dtxsid: DTXSID1067045
formula: C27H55NO2
inchikey: STPHMMYCKHXCAF-UHFFFAOYSA-N
norman_susdat_id: NS00051010
pubchem_cid: NA
smiles: O=C([O-])CC([NH3+])(CCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/C27H55NO2/c1-3-5-7-9-11-13-15-17-19-21-23-27(28,25-26(29)30)24-22-20-18-16-14-12-10-8-6-4-2/h3-25,28H2,1-2H3,(H,29,30)


name: Oleylamidopropylbetaine
cas: 25054-76-6
chemspiderid: 5020968
dtxsid: DTXSID20893471
formula: C25H49N2O3
inchikey: ZKWJQNCOTNUNMF-UHFFFAOYSA-N
norman_susdat_id: NS00004686
pubchem_cid: NA
smiles: CCCCCCCCC=CCCCCCCCC(=O)NCCC[N+](C)(C)CC([O-])=O
inchi:
InChI=1S/C25H48N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-24(28)26-21-19-22-27(2,3)23-25(29)30/h11-12H,4-10,13-23H2,1-3H3,(H-,26,28,29,30)


name: Disodium 4-hydroxynaphthalene-1,5-disulphonate
cas: 25059-18-1
formula: C10H8O7S2.2Na
inchikey: ZRBVDPOHVRVYAN-UHFFFAOYSA-L
norman_susdat_id: NS00083787
smiles: [Na+].[Na+].Oc1ccc(c2cccc(c12)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H8O7S2.2Na/c11-7-4-5-8(18(12,13)14)6-2-1-3-9(10(6)7)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2


name: 3,6-dichloro-o-anisic acid, compound with 2,2'-iminodiethanol (1:1)
cas: 25059-78-3
formula: C8H6Cl2O3.C4H11NO2
inchikey: RAKSGYQDDJHPCC-UHFFFAOYSA-N
norman_susdat_id: NS00083788
smiles: COc1c(Cl)ccc(Cl)c1C(=O)O.OCCNCCO
inchi:
InChI=1/C8H6Cl2O3.C4H11NO2/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;6-3-1-5-2-4-7/h2-3H,1H3,(H,11,12);5-7H,1-4H2


name: 1-amino-4-(cyclohexylamino)-2-(2-hydroxyethoxy)anthraquinone
cas: 25061-50-1
dtxsid: DTXSID50885283
formula: C22H24N2O4
inchikey: YOHDUQBXKPGDFU-UHFFFAOYSA-N
norman_susdat_id: NS00050276
pubchem_cid: 90702
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC(OCCO)=C(N)C13)NC4CCCCC4
inchi:
InChI=1/C22H24N2O4/c23-20-17(28-11-10-25)12-16(24-13-6-2-1-3-7-13)18-19(20)22(27)15-9-5-4-8-14(15)21(18)26/h4-5,8-9,12-13,24-25H,1-3,6-7,10-11,23H2


name: Pyridinium, 1-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl)-, trifluoromethanesulfonate
cas: 25061-59-0
dtxsid: DTXSID50179755
formula: C14H7F18NO3S
inchikey: YBVIGZGPYGVIDI-UHFFFAOYSA-M
norman_susdat_id: NS00110520
smiles: [O-]S(=O)(=O)C(F)(F)F.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C[N+]1=CC=CC=C1
inchi:
InChI=1S/C13H7F15N.CHF3O3S/c14-7(15,6-29-4-2-1-3-5-29)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28;2-1(3,4)8(5,6)7/h1-5H,6H2;(H,5,6,7)/q+1;/p-1


name: Ethane-1,2-diylbis(oxyethane-1,2-diyl) distearate
cas: 25062-49-1
chemspiderid: 81892
dtxsid: DTXSID90179759
formula: C42H82O6
inchikey: YBRJTUFWBLSLHY-UHFFFAOYSA-N
norman_susdat_id: NS00020614
pubchem_cid: 90703
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCOCCOCCOC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C42H82O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(43)47-39-37-45-35-36-46-38-40-48-42(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3


name: Hexadecanamide, N-[2-[(2-hydroxyethyl)amino]ethyl]-
cas: 25065-63-8
chemspiderid: 81894
dtxsid: DTXSID1067047
formula: C20H42N2O2
inchikey: YAGLIFQYQDBQLD-UHFFFAOYSA-N
norman_susdat_id: NS00027800
pubchem_cid: 90705
smiles: CCCCCCCCCCCCCCCC(=O)NCCNCCO
inchi:
InChI=1S/C20H42N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20(24)22-17-16-21-18-19-23/h21,23H,2-19H2,1H3,(H,22,24)


name: Octadecanamide, N-[3-(dimethyloxidoamino)propyl]-
cas: 25066-20-0
chemspiderid: 81895
dtxsid: DTXSID6067048
formula: C23H48N2O2
inchikey: ZHXQBNMVWBJMFB-UHFFFAOYSA-N
norman_susdat_id: NS00014115
pubchem_cid: 90706
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)[O-]
inchi:
InChI=1S/C23H48N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2,3)27/h4-22H2,1-3H3,(H,24,26)


name: Cyclohexyl-Pentyl-Maltoside
cas: 250692-65-0
dtxsid: DTXSID60416123
formula: C23H42O11
inchikey: RVTGFZGNOSKUDA-ZNGNCRBCSA-N
norman_susdat_id: NS00071136
pubchem_cid: 5327073
smiles: OC[C@H]1O[C@H](O[C@@H]2[C@@H](CO)O[C@@H](OCCCCCC3CCCCC3)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C23H42O11/c24-11-14-16(26)17(27)19(29)23(32-14)34-21-15(12-25)33-22(20(30)18(21)28)31-10-6-2-5-9-13-7-3-1-4-8-13/h13-30H,1-12H2/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1


name: Gloxazone
cas: 2507-91-7
formula: C8H16N6OS2
inchikey: ARIFZLJIERKKEL-UHFFFAOYSA-N
norman_susdat_id: NS00045203
pubchem_cid: NA
smiles: S=C(N)NN=CC(=NNC(=S)N)C(OCC)C
inchi:
InChI=1/C8H16N6OS2/c1-3-15-5(2)6(12-14-8(10)17)4-11-13-7(9)16/h4-5H,3H2,1-2H3,(H3,9,13,16)(H3,10,14,17)


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Henicosafluoropentadecane
cas: 250738-42-2
dtxsid: DTXSID20895273
formula: C15H11F21
inchikey: XOFRRGPGZOTKDI-UHFFFAOYSA-N
norman_susdat_id: NS00109665
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)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C15H11F21/c1-2-3-4-5-6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)13(30,31)14(32,33)15(34,35)36/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-Henicosafluoropentacosane
cas: 250738-43-3
dtxsid: DTXSID80895390
formula: C25H31F21
inchikey: IRENDMIBVKTRCR-UHFFFAOYSA-N
norman_susdat_id: NS00111731
smiles: CCCCCCCCCCCCCCCC(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/C25H31F21/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(26,27)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)46/h2-15H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Henicosafluoroheptacosane
cas: 250738-44-4
dtxsid: DTXSID60895393
formula: C27H35F21
inchikey: QJOIRFSOXHTWKX-UHFFFAOYSA-N
norman_susdat_id: NS00111038
smiles: CCCCCCCCCCCCCCCCCC(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/C27H35F21/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(28,29)19(30,31)20(32,33)21(34,35)22(36,37)23(38,39)24(40,41)25(42,43)26(44,45)27(46,47)48/h2-17H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Henicosafluorooctacosane
cas: 250738-45-5
dtxsid: DTXSID50895387
formula: C28H37F21
inchikey: JSUQGUZCSAZOTF-UHFFFAOYSA-N
norman_susdat_id: NS00110706
smiles: CCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C28H37F21/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(29,30)20(31,32)21(33,34)22(35,36)23(37,38)24(39,40)25(41,42)26(43,44)27(45,46)28(47,48)49/h2-18H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Henicosafluorononacosane
cas: 250738-46-6
dtxsid: DTXSID60895414
formula: C29H39F21
inchikey: RAYVCZDHWHRTKY-UHFFFAOYSA-N
norman_susdat_id: NS00111040
smiles: CCCCCCCCCCCCCCCCCCCC(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/C29H39F21/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(30,31)21(32,33)22(34,35)23(36,37)24(38,39)25(40,41)26(42,43)27(44,45)28(46,47)29(48,49)50/h2-19H2,1H3


name: 1,3-diethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)vinyl]-1H-imidazo[4,5-b]quinoxalinium iodide
cas: 25078-74-4
dtxsid: DTXSID10947937
formula: C30H29N5
inchikey: OAJHGHSLZBRELA-RZLHGTIFSA-N
norman_susdat_id: NS00050293
pubchem_cid: NA
smiles: [I-].N=1C=2C=CC=CC2N=C3C1N(CC)C(C=CC=4C=5C=CC=CC5N(C4C=6C=CC=CC6)C)[NH+]3CC
inchi:
InChI=1/C30H29N5.HI/c1-4-34-27(35(5-2)30-29(34)31-24-16-10-11-17-25(24)32-30)20-19-23-22-15-9-12-18-26(22)33(3)28(23)21-13-7-6-8-14-21;/h6-20,27H,4-5H2,1-3H3;1H


name: Antazoline hydrochloride
cas: 2508-72-7
formula: C17H19N3.ClH
inchikey: SWKDMSRRIBZZAY-UHFFFAOYSA-N
norman_susdat_id: NS00082036
smiles: Cl.C(N(Cc1ccccc1)c2ccccc2)C3=NCCN3
inchi:
InChI=1/C17H19N3.ClH/c1-3-7-15(8-4-1)13-20(14-17-18-11-12-19-17)16-9-5-2-6-10-16;/h1-10H,11-14H2,(H,18,19);1H


name: Methyldopate hydrochloride
cas: 2508-79-4
chemspiderid: 16350
dtxsid: DTXSID1045370
formula: C12H17N1O4
inchikey: QSRVZCCJDKYRRF-YDALLXLXSA-N
norman_susdat_id: NS00027806
pubchem_cid: 17276
smiles: [Cl-].CCOC(=O)[C@@](C)(N)Cc1cc(O)c(O)cc1.[H+]
inchi:
InChI=1S/C12H17NO4/c1-3-17-11(16)12(2,13)7-8-4-5-9(14)10(15)6-8/h4-6,14-15H,3,7,13H2,1-2H3/t12-/m1/s1


name: 4-amino-5-oxo-1-(p-sulphophenyl)-2-pyrazoline-3-carboxylic acid
cas: 2508-84-1
chebiid: CHEBI:59995
dtxsid: DTXSID00947941
formula: C10H9N3O6S
inchikey: VBKMDGXBOWYWHE-UHFFFAOYSA-N
norman_susdat_id: NS00045254
pubchem_cid: 102831
smiles: O=C(O)C1=NN(C(=O)C1N)C2=CC=C(C=C2)S(=O)(=O)O
inchi:
InChI=1/C10H9N3O6S/c11-7-8(10(15)16)12-13(9(7)14)5-1-3-6(4-2-5)20(17,18)19/h1-4,7H,11H2,(H,15,16)(H,17,18,19)


name: Acetamide, N-[3-[bis(phenylmethyl)amino]-4-methoxyphenyl]-
cas: 25080-14-2
chemspiderid: 81896
dtxsid: DTXSID0067052
formula: C23H24N2O2
inchikey: AFABFCARSKKBAV-UHFFFAOYSA-N
norman_susdat_id: NS00027801
pubchem_cid: 90708
smiles: COc1c(cc(NC(=O)C)cc1)N(Cc1ccccc1)Cc1ccccc1
inchi:
InChI=1S/C23H24N2O2/c1-18(26)24-21-13-14-23(27-2)22(15-21)25(16-19-9-5-3-6-10-19)17-20-11-7-4-8-12-20/h3-15H,16-17H2,1-2H3,(H,24,26)


name: Acetamide, N-[5-[bis(phenylmethyl)amino]-2-[(2-bromo-4,6-dinitrophenyl)azo]-4-methoxyphenyl]-
cas: 25080-15-3
chemspiderid: 81897
dtxsid: DTXSID5067053
formula: C29H25Br1N6O6
inchikey: JYAAXCNACZCCRH-UHFFFAOYSA-N
norman_susdat_id: NS00027802
pubchem_cid: 90709
smiles: COc1cc(N=Nc2c(Br)cc(cc2[N+](=O)[O-])[N+](=O)[O-])c(NC(=O)C)cc1N(Cc1ccccc1)Cc1ccccc1
inchi:
InChI=1S/C29H25BrN6O6/c1-19(37)31-24-15-26(34(17-20-9-5-3-6-10-20)18-21-11-7-4-8-12-21)28(42-2)16-25(24)32-33-29-23(30)13-22(35(38)39)14-27(29)36(40)41/h3-16H,17-18H2,1-2H3,(H,31,37)/b33-32+


cas: 25080-19-7
dtxsid: DTXSID90549655
formula: C11F23IO
inchikey: DQVDKUNLKZLJJV-UHFFFAOYSA-N
norman_susdat_id: NS00111934
smiles: FC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I)C(F)(F)F
name:
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Hexadecafluoro-1-[(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxy]-8-iodooctane

inchi:
InChI=1S/C11F23IO/c12-1(13,3(16,17)5(20,21)10(31,32)35)2(14,15)4(18,19)6(22,23)11(33,34)36-7(24,8(25,26)27)9(28,29)30


name: 1,1,2,2,3,3,4,4,5,5,6,6-Dodecafluoro-1-[(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxy]-8-iodooctane
cas: 25080-25-5
dtxsid: DTXSID70663106
formula: C11H4F19IO
inchikey: GGAZEYOGKLDXNZ-UHFFFAOYSA-N
norman_susdat_id: NS00111261
smiles: FC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCI)C(F)(F)F
inchi:
InChI=1S/C11H4F19IO/c12-3(13,1-2-31)4(14,15)5(16,17)6(18,19)7(20,21)11(29,30)32-8(22,9(23,24)25)10(26,27)28/h1-2H2


name: (Z,Z)-di-9-octadecenyl phosphonate
cas: 25088-57-7
formula: C36H71O3P
inchikey: FLAJFZXTYPQIBY-UHFFFAOYSA-N
norman_susdat_id: NS00050259
pubchem_cid: 32788
smiles: OP(OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C36H71O3P/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/h17-20,37H,3-16,21-36H2,1-2H3


name: Phenol, 4,4'-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis-, dipotassium salt
cas: 25088-69-1
dtxsid: DTXSID0067054
formula: C15H10F6O2.2K
inchikey: VMHMZFAVEXGDPW-UHFFFAOYSA-L
norman_susdat_id: NS00083789
smiles: [K+].[K+].[O-]c1ccc(cc1)C(c2ccc([O-])cc2)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1/C15H10F6O2.2K/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10;;/h1-8,22-23H;;/q;2*+1/p-2


name: 11ß,21-dihydroxy-16a,17-(isopropylidenedioxy)pregn-4-ene-3,20-dione 21-acetate
cas: 25092-24-4
dtxsid: DTXSID50947956
formula: C26H36O7
inchikey: JJCMNPASNQSMEE-UHFFFAOYSA-N
norman_susdat_id: NS00050260
pubchem_cid: 91263
smiles: O=C(OCC(=O)C12OC(OC2CC3C4CCC5=CC(=O)CCC5(C)C4C(O)CC31C)(C)C)C
inchi:
InChI=1/C26H36O7/c1-14(27)31-13-20(30)26-21(32-23(2,3)33-26)11-18-17-7-6-15-10-16(28)8-9-24(15,4)22(17)19(29)12-25(18,26)5/h10,17-19,21-22,29H,6-9,11-13H2,1-5H3


cas: 25092-32-4
chemspiderid: NA
formula: C26H32O7
inchikey: QMZVJUWCRCSUBK-ZWRCAFORSA-N
norman_susdat_id: NS00006453
pubchem_cid: NA
smiles: CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1CC1C3CCC4=CC(=O)C=C[C@]4(C)[C@@]33O[C@H]3C[C@]21C
name:
2-oxo-2-[(4aS,4bS,5aS,6aS,6bS,9aR,10aS,10bS)-4a,6a,8,8-tetramethyl-2-oxo-2,5a,6,6a,9a,10,10a,10b,11,12-decahydronaphtho[2',1':4,5]oxireno[5,6]indeno[1,2-d][1,3]dioxol-6b(4aH)-yl]ethyl acetate

inchi:
InChI=1S/C26H32O7/c1-14(27)30-13-19(29)26-20(31-22(2,3)33-26)11-18-17-7-6-15-10-16(28)8-9-23(15,4)25(17)21(32-25)12-24(18,26)5/h8-10,17-18,20-21H,6-7,11-13H2,1-5H3/t17?,18?,20-,21+,23+,24+,25-,26-/m1/s1


name: Norgestomet
cas: 25092-41-5
chemspiderid: 16736537
formula: C23H32O4
inchikey: IWSXBCZCPVUWHT-UHFFFAOYSA-N
norman_susdat_id: NS00040633
pubchem_cid: 9820838
smiles: CC1CC2(C)C(CCC2(OC(C)=O)C(C)=O)C2CCC3=CC(=O)CCC3C12
inchi:
InChI=1S/C23H32O4/c1-13-12-22(4)20(9-10-23(22,14(2)24)27-15(3)25)19-7-5-16-11-17(26)6-8-18(16)21(13)19/h11,13,18-21H,5-10,12H2,1-4H3


cas: 25101-47-7
dtxsid: DTXSID20880366
norman_susdat_id: NS00109568
name:
1-Propene, 1,1,2,3,3,3-hexafluoro-, polymer with 1-chloro-1,2,2-trifluoroethene and 1,1-difluoroethene


name: Triisooctyl phosphite
cas: 25103-12-2
dtxsid: DTXSID3051919
formula: C24H51O3P
inchikey: DECPGQLXYYCNEZ-UHFFFAOYSA-N
norman_susdat_id: NS00051012
pubchem_cid: 90714
smiles: O(P(OCCCCCC(C)C)OCCCCCC(C)C)CCCCCC(C)C
inchi:
InChI=1/C24H51O3P/c1-22(2)16-10-7-13-19-25-28(26-20-14-8-11-17-23(3)4)27-21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3


name: Triisooctyl phosphate
cas: 25103-23-5
dtxsid: DTXSID2051920
formula: C24H51O4P
inchikey: FSLSJTZWDATVTK-UHFFFAOYSA-N
norman_susdat_id: NS00050294
pubchem_cid: 90715
smiles: O=P(OCCCCCC(C)C)(OCCCCCC(C)C)OCCCCCC(C)C
inchi:
InChI=1/C24H51O4P/c1-22(2)16-10-7-13-19-26-29(25,27-20-14-8-11-17-23(3)4)28-21-15-9-12-18-24(5)6/h22-24H,7-21H2,1-6H3


name: Zinc isodecyl phosphorodithioate
cas: 25103-54-2
formula: C20H43O2PS2.1/2Zn
inchikey: JTRDOXTXNZMWMG-UHFFFAOYSA-L
norman_susdat_id: NS00084073
smiles: [Zn+2].CC(C)CCCCCCCOP(=S)([S-])OCCCCCCCC(C)C.CC(C)CCCCCCCOP(=S)([S-])OCCCCCCCC(C)C
inchi:
InChI=1/2C20H43O2PS2.Zn/c2*1-19(2)15-11-7-5-9-13-17-21-23(24,25)22-18-14-10-6-8-12-16-20(3)4;/h2*19-20H,5-18H2,1-4H3,(H,24,25);/q;;+2/p-2


name: N-Decyl-N,N-dimethyl-1-decanaminium perfluorooctanesulfonate
cas: 251099-16-8
dtxsid: DTXSID00882964
formula: C30H48F17NO3S
inchikey: MCKSGFHQKXIVKF-UHFFFAOYSA-M
norman_susdat_id: NS00108921
inchi:
InChI=1S/C22H48N.C8HF17O3S/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28/h5-22H2,1-4H3;(H,26,27,28)/q+1;/p-1

smiles:
CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.[O-]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


name: 9-Octadecenoic acid (9Z)-, 2-ethyl-2-(hydroxymethyl)-1,3-propanediyl ester
cas: 25111-05-1
chemspiderid: 4941184
dtxsid: DTXSID5067055
formula: C42H78O5
inchikey: NKSZWBYBTXAALC-UHFFFAOYSA-N
norman_susdat_id: NS00002817
pubchem_cid: 90719
smiles: CCCCCCCCC=CCCCCCCCC(=O)OCC(CC)(CO)COC(=O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1S/C42H78O5/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-40(44)46-38-42(6-3,37-43)39-47-41(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h19-22,43H,4-18,23-39H2,1-3H3


name: 4-[[4-(dimethylamino)phenyl]methylene]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
cas: 25111-96-0
dtxsid: DTXSID10947977
formula: C19H19N3O
inchikey: YJCRUYAVDCDVCD-UHFFFAOYSA-N
norman_susdat_id: NS00051087
pubchem_cid: 91278
smiles: O=C1C(=CC2=CC=C(C=C2)N(C)C)C(=NN1C=3C=CC=CC3)C
inchi:
InChI=1/C19H19N3O/c1-14-18(13-15-9-11-16(12-10-15)21(2)3)19(23)22(20-14)17-7-5-4-6-8-17/h4-13H,1-3H3


name: Beloranib
cas: 251111-30-5
dtxsid: DTXSID40179800
formula: C29H41NO6
inchikey: ZEZFKUBILQRZCK-MJSCXXSSSA-N
norman_susdat_id: NS00069712
pubchem_cid: 6918502
smiles: CO[C@H]1[C@H]([C@@]2(C)O[C@@H]2CC=C(C)C)[C@]2(CC[C@H]1OC(=O)/C=C/c1ccc(OCCN(C)C)cc1)CO2
inchi:
InChI=1S/C29H41NO6/c1-20(2)7-13-24-28(3,36-24)27-26(32-6)23(15-16-29(27)19-34-29)35-25(31)14-10-21-8-11-22(12-9-21)33-18-17-30(4)5/h7-12,14,23-24,26-27H,13,15-19H2,1-6H3/b14-10+/t23-,24-,26-,27-,28+,29+/m1/s1


name: C.I. Pigment Yellow 1
cas: 2512-29-0
chemspiderid: 192174
dtxsid: DTXSID4041735
formula: C17H16N4O4
inchikey: MFYSUUPKMDJYPF-UHFFFAOYSA-N
norman_susdat_id: NS00004189
pubchem_cid: 221491
smiles: CC(=O)C(N=Nc1ccc(C)cc1[N+]([O-])=O)C(=O)Nc1ccccc1
inchi:
InChI=1S/C17H16N4O4/c1-11-8-9-14(15(10-11)21(24)25)19-20-16(12(2)22)17(23)18-13-6-4-3-5-7-13/h3-10,16H,1-2H3,(H,18,23)


name: Clobetasol
cas: 25122-41-2
chemspiderid: 30398
dtxsid: DTXSID2048955
formula: C22H28Cl1F1O4
inchikey: FCSHDIVRCWTZOX-RFGBNKILSA-N
norman_susdat_id: NS00001385
pubchem_cid: 32797
smiles: CC1CC2C3CCC4=CC(=O)C=CC4(C)[C@@]3(F)C(O)CC2(C)[C@@]1(O)C(=O)CCl
inchi:
InChI=1S/C22H28ClFO4/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,24)17(26)10-20(16,3)22(12,28)18(27)11-23/h6-7,9,12,15-17,26,28H,4-5,8,10-11H2,1-3H3/t12?,15?,16?,17?,19?,20?,21-,22-/m0/s1


name: Clobetasol propionate
cas: 25122-46-7
chebiid: CHEBI:31414
chemspiderid: 30399
dtxsid: DTXSID6045907
formula: C25H32Cl1F1O5
inchikey: CBGUOGMQLZIXBE-XGQKBEPLSA-N
norman_susdat_id: NS00000111
pubchem_cid: 32798
smiles: CCC(=O)O[C@@]1([C@H](C[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)C=C[C@@]43C)F)O)C)C)C(=O)CCl
inchi:
InChI=1S/C25H32ClFO5/c1-5-21(31)32-25(20(30)13-26)14(2)10-18-17-7-6-15-11-16(28)8-9-22(15,3)24(17,27)19(29)12-23(18,25)4/h8-9,11,14,17-19,29H,5-7,10,12-13H2,1-4H3/t14-,17-,18-,19-,22-,23-,24-,25-/m0/s1


name: Clobetasone butyrate
cas: 25122-57-0
chebiid: CHEBI:31415
chemspiderid: 64481
dtxsid: DTXSID3046823
formula: C26H32Cl1F1O5
inchikey: FBRAWBYQGRLCEK-AVVSTMBFSA-N
norman_susdat_id: NS00015388
pubchem_cid: 71386
smiles: CCCC(=O)OC1(C(CC2C1(CC(=O)C3(C2CCC4=CC(=O)C=CC43C)F)C)C)C(=O)CCl
inchi:
InChI=1S/C26H32ClFO5/c1-5-6-22(32)33-26(21(31)14-27)15(2)11-19-18-8-7-16-12-17(29)9-10-23(16,3)25(18,28)20(30)13-24(19,26)4/h9-10,12,15,18-19H,5-8,11,13-14H2,1-4H3/t15-,18-,19-,23-,24-,25-,26-/m0/s1


name: Benzenesulfonic acid, 3-[[4-[(4-ethoxyphenyl)azo]-2,5-dimethoxyphenyl]azo]-
cas: 25124-87-2
chemspiderid: 82432
dtxsid: DTXSID0067056
formula: C22H22N4O6S1
inchikey: OFLKKXQQHQTLJM-UHFFFAOYSA-N
norman_susdat_id: NS00027813
pubchem_cid: 91285
smiles: CCOc1ccc(cc1)N=Nc1cc(OC)c(cc1OC)N=Nc1cccc(c1)S(=O)(=O)O
inchi:
InChI=1S/C22H22N4O6S/c1-4-32-17-10-8-15(9-11-17)23-25-19-13-22(31-3)20(14-21(19)30-2)26-24-16-6-5-7-18(12-16)33(27,28)29/h5-14H,4H2,1-3H3,(H,27,28,29)/b25-23+,26-24+


name: Sincalide
cas: 25126-32-3
chebiid: CHEBI:135946
dtxsid: DTXSID7048617
formula: C49H62N10O16S3
inchikey: IZTQOLKUZKXIRV-YRVFCXMDSA-N
norman_susdat_id: NS00050642
pubchem_cid: 9833444
inchi:
InChI=1/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)

smiles:
O=C(O)CC(N)C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CC=1C=CC=CC1)CC(=O)O)CCSC)CC2=CNC=3C=CC=CC32)CCSC)CC4=CC=C(OS(=O)(=O)O)C=C4


name: N,N'-dibenzoyl-L-cystine
cas: 25129-20-8
dtxsid: DTXSID90947990
formula: C20H20N2O6S2
inchikey: GUTXMPQWQSOAIY-HOTGVXAUSA-N
norman_susdat_id: NS00049327
pubchem_cid: 13479156
smiles: O=C(O)C(NC(=O)C=1C=CC=CC1)CSSCC(NC(=O)C=2C=CC=CC2)C(=O)O
inchi:
InChI=1/C20H20N2O6S2/c23-17(13-7-3-1-4-8-13)21-15(19(25)26)11-29-30-12-16(20(27)28)22-18(24)14-9-5-2-6-10-14/h1-10,15-16H,11-12H2,(H,21,23)(H,22,24)(H,25,26)(H,27,28)


name: Ertiprotafib
cas: 251303-04-5
dtxsid: DTXSID30179814
formula: C31H27BrO3S
inchikey: FONCZICQWCUXEB-RUZDIDTESA-N
norman_susdat_id: NS00068635
pubchem_cid: 157049
smiles: Cc1cc(-c2c3ccccc3c(Br)c3sc(C)c(C)c23)cc(C)c1O[C@H](Cc1ccccc1)C(=O)O
inchi:
InChI=1S/C31H27BrO3S/c1-17-14-22(15-18(2)29(17)35-25(31(33)34)16-21-10-6-5-7-11-21)27-23-12-8-9-13-24(23)28(32)30-26(27)19(3)20(4)36-30/h5-15,25H,16H2,1-4H3,(H,33,34)/t25-/m1/s1


name: 3-[p-(hexyloxy)phenyl]propionic acid
cas: 25131-98-0
dtxsid: DTXSID70947993
formula: C15H22O3
inchikey: XSLSHDVWFGILIQ-UHFFFAOYSA-N
norman_susdat_id: NS00049927
pubchem_cid: 91287
smiles: O=C(O)CCC1=CC=C(OCCCCCC)C=C1
inchi:
InChI=1/C15H22O3/c1-2-3-4-5-12-18-14-9-6-13(7-10-14)8-11-15(16)17/h6-7,9-10H,2-5,8,11-12H2,1H3,(H,16,17)


name: 3,7-diaminophenothiazin-5-ium perchlorate
cas: 25137-58-0
formula: C12H10N3S.ClO4
inchikey: ZXCLWPMKLDYDDF-UHFFFAOYSA-M
norman_susdat_id: NS00084285
smiles: Nc1ccc2nc3ccc(N)cc3[s+]c2c1.[O-]Cl(=O)(=O)=O
inchi:
InChI=1/C12H10N3S.ClHO4/c13-7-1-3-9-11(5-7)16-12-6-8(14)2-4-10(12)15-9;2-1(3,4)5/h1-6H,13-14H2;(H,2,3,4,5)/q+1;/p-1


name: S-Lactoylglutathione
cas: 25138-66-3
chebiid: CHEBI:15694
chemspiderid: 389032
formula: C13H21N3O8S1
inchikey: VDYDCVUWILIYQF-CSMHCCOUSA-N
norman_susdat_id: NS00014921
pubchem_cid: 440018
smiles: O=C(SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)C(O)C
inchi:
InChI=1S/C13H21N3O8S/c1-6(17)13(24)25-5-8(11(21)15-4-10(19)20)16-9(18)3-2-7(14)12(22)23/h6-8,17H,2-5,14H2,1H3,(H,15,21)(H,16,18)(H,19,20)(H,22,23)/t6-,7+,8+/m1/s1


name: 1-ethyl-2-heptadecyl-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium ethyl sulphate
cas: 25141-05-3
dtxsid: DTXSID10948005
formula: C24H49N2O
inchikey: KPDCZDUZLORUDD-UHFFFAOYSA-M
norman_susdat_id: NS00049939
pubchem_cid: 91291
smiles: O=S(=O)([O-])OCC.OCC[N+]1(C(=NCC1)CCCCCCCCCCCCCCCCC)CC
inchi:
InChI=1/C24H49N2O.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-25-20-21-26(24,4-2)22-23-27;1-2-6-7(3,4)5/h27H,3-23H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: 7-{[4-(dimethylamino)phenyl]formamido}-n-hydroxyheptanamide
cas: 251456-60-7
chebiid: CHEBI:125562
dtxsid: DTXSID90274415
formula: C16H25N3O3
inchikey: MXWDSZWTBOCWBK-UHFFFAOYSA-N
norman_susdat_id: NS00070625
pubchem_cid: 3994
smiles: CN(C)c1ccc(C(=O)NCCCCCCC(=O)NO)cc1
inchi:
InChI=1S/C16H25N3O3/c1-19(2)14-10-8-13(9-11-14)16(21)17-12-6-4-3-5-7-15(20)18-22/h8-11,22H,3-7,12H2,1-2H3,(H,17,21)(H,18,20)


cas: 25146-18-3
formula: C19H20N2O3.C13H14N2O
inchikey: MLDZWPIBNQMTDC-UHFFFAOYSA-N
norman_susdat_id: NS00083602
smiles: CCCCC1C(=O)N(N(C1=O)c2ccc(O)cc2)c3ccccc3.OC(CNc4ccccn4)c5ccccc5
name:
4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione, compound with a-[(2-pyridylamino)methyl]benzenemethanol (1:1)

inchi:
InChI=1/C19H20N2O3.C13H14N2O/c1-2-3-9-17-18(23)20(14-7-5-4-6-8-14)21(19(17)24)15-10-12-16(22)13-11-15;16-12(11-6-2-1-3-7-11)10-15-13-8-4-5-9-14-13/h4-8,10-13,17,22H,2-3,9H2,1H3;1-9,12,16H,10H2,(H,14,15)


name: 3-[[4-[(6,7-dichlorobenzothiazol-2-yl)azo]phenyl]ethylamino]propiononitrile
cas: 25150-28-1
formula: C18H15Cl2N5S
inchikey: WFRRWBDTRFNKAW-UHFFFAOYSA-N
norman_susdat_id: NS00049929
pubchem_cid: 20681787
smiles: N#CCCN(C1=CC=C(N=NC2=NC=3C=CC(Cl)=C(Cl)C3S2)C=C1)CC
inchi:
InChI=1/C18H15Cl2N5S/c1-2-25(11-3-10-21)13-6-4-12(5-7-13)23-24-18-22-15-9-8-14(19)16(20)17(15)26-18/h4-9H,2-3,11H2,1H3


name: 1,1,3,3-tetrabutyl-1,3-bis(dodecyloxy)distannoxane
cas: 25150-98-5
dtxsid: DTXSID60179827
formula: C40H86O3Sn2
inchikey: UCDQSBXEFJFIGA-UHFFFAOYSA-N
norman_susdat_id: NS00049329
pubchem_cid: 16684058
smiles: O(CCCCCCCCCCCC)[Sn](O[Sn](OCCCCCCCCCCCC)(CCCC)CCCC)(CCCC)CCCC
inchi:
InChI=1/2C12H25O.4C4H9.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13;4*1-3-4-2;;;/h2*2-12H2,1H3;4*1,3-4H2,2H3;;;/q2*-1;;;;;;2*+1/rC40H86O3Sn2/c1-7-13-19-21-23-25-27-29-31-33-35-41-44(37-15-9-3,38-16-10-4)43-45(39-17-11-5,40-18-12-6)42-36-34-32-30-28-26-24-22-20-14-8-2/h7-40H2,1-6H3


name: Butyltris[(1-oxododecyl)oxy]stannane
cas: 25151-00-2
dtxsid: DTXSID20179828
formula: C40H78O6Sn
inchikey: FKXJWELJXMKBDI-UHFFFAOYSA-K
norman_susdat_id: NS00049950
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)CCCCCCCCCCC)(OC(=O)CCCCCCCCCCC)CCCC)CCCCCCCCCCC
inchi:
InChI=1/3C12H24O2.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-3-4-2;/h3*2-11H2,1H3,(H,13,14);1,3-4H2,2H3;/q;;;;+3/p-3/rC40H78O6Sn/c1-5-9-13-16-19-22-25-28-31-34-38(41)44-47(37-12-8-4,45-39(42)35-32-29-26-23-20-17-14-10-6-2)46-40(43)36-33-30-27-24-21-18-15-11-7-3/h5-37H2,1-4H3


name: N,N'-Dioctadecyladipamide
cas: 25151-31-9
chemspiderid: 82450
dtxsid: DTXSID80179829
formula: C42H84N2O2
inchikey: QIJSQGXDFAYEAF-UHFFFAOYSA-N
norman_susdat_id: NS00027819
pubchem_cid: 91304
smiles: CCCCCCCCCCCCCCCCCCNC(=O)CCCCC(=O)NCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C42H84N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-43-41(45)37-33-34-38-42(46)44-40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3,(H,43,45)(H,44,46)


name: 9-Octadecenoic acid (9Z)-, 2,2-bis(hydroxymethyl)-1,3-propanediyl ester
cas: 25151-96-6
chemspiderid: 4941217
dtxsid: DTXSID4067060
formula: C41H76O6
inchikey: BJXXCOMGRRCAGN-XPWSMXQVSA-N
norman_susdat_id: NS00006076
pubchem_cid: 6436590
smiles: CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)(CO)COC(=O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1S/C41H76O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(44)46-37-41(35-42,36-43)38-47-40(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,42-43H,3-16,21-38H2,1-2H3/b19-17+,20-18+


name: 9-(2-carboxylatophenyl)-3,6-bis(ethylamino)-2,7-dimethylxanthylium
cas: 25152-49-2
formula: C26H27N2O3
inchikey: ZBGXZBMFISSQPT-UHFFFAOYSA-M
norman_susdat_id: NS00049347
pubchem_cid: NA
smiles: O=C([O-])C=1C=CC=CC1C=2C=3C=C(C(=CC3[O+]=C4C=C(NCC)C(=CC42)C)NCC)C
inchi:
InChI=1/C26H26N2O3/c1-5-27-21-13-23-19(11-15(21)3)25(17-9-7-8-10-18(17)26(29)30)20-12-16(4)22(28-6-2)14-24(20)31-23/h7-14,27-28H,5-6H2,1-4H3


name: Methylbenzethonium chloride
cas: 25155-18-4
dtxsid: DTXSID4035708
formula: C28H44NO2
inchikey: QWZLBLDNRUUYQI-UHFFFAOYSA-M
norman_susdat_id: NS00050722
pubchem_cid: 5702238
smiles: [Cl-].O(C1=CC=C(C=C1C)C(C)(C)CC(C)(C)C)CCOCC[N+](C)(C)CC=2C=CC=CC2
inchi:
InChI=1/C28H44NO2.ClH/c1-23-20-25(28(5,6)22-27(2,3)4)14-15-26(23)31-19-18-30-17-16-29(7,8)21-24-12-10-9-11-13-24;/h9-15,20H,16-19,21-22H2,1-8H3;1H/q+1;/p-1


name: trixylyl phosphate
cas: 25155-23-1
chemspiderid: 30626
formula: C24H27O4P1
inchikey: LLPMAOBOEQFPRE-UHFFFAOYSA-N
norman_susdat_id: NS00002956
pubchem_cid: 33133
smiles: Cc1cc(C)cc(OP(=O)(Oc2cc(C)cc(C)c2)Oc2cc(C)cc(C)c2)c1
inchi:
InChI=1S/C24H27O4P/c1-16-7-17(2)11-22(10-16)26-29(25,27-23-12-18(3)8-19(4)13-23)28-24-14-20(5)9-21(6)15-24/h7-15H,1-6H3


name: Sodium dodecylbenzenesulfonate
cas: 25155-30-0
dtxsid: DTXSID7025219
inchikey: HOXWFOVSCUWIEH-UHFFFAOYSA-M
norman_susdat_id: NS00075815
smiles: CCCCCCCCCC(CC)C1=CC=C(C=C1)S(=O)(=O)[O-].[Na+]
inchi:
1S/C18H30O3S.Na/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);/q;+1/p-1  Computed by InChI 1.0.5 (PubChem release 2019.06.18) PubChem


name: Tesaglitazar
cas: 251565-85-2
dtxsid: DTXSID60861518
formula: C20H24O7S
inchikey: CXGTZJYQWSUFET-IBGZPJMESA-N
norman_susdat_id: NS00068654
pubchem_cid: 208901
smiles: CCO[C@@H](Cc1ccc(OCCc2ccc(OS(C)(=O)=O)cc2)cc1)C(=O)O
inchi:
InChI=1S/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1


name: 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5'-(1,2-diazenediyl)bis-
cas: 25157-64-6
chemspiderid: 23350472
formula: C8H6N6O6
inchikey: LCGWXMONLSJYQR-UHFFFAOYSA-N
norman_susdat_id: NS00007635
pubchem_cid: 15451086
smiles: O=C1NC(=O)C(N=NC2C(=O)NC(=O)NC2=O)C(=O)N1
inchi:
InChI=1S/C8H6N6O6/c15-3-1(4(16)10-7(19)9-3)13-14-2-5(17)11-8(20)12-6(2)18/h1-2H,(H2,9,10,15,16,19)(H2,11,12,17,18,20)


name: Abt-510
cas: 251579-55-2
dtxsid: DTXSID80870283
formula: C46H83N13O11
inchikey: RIWLPSIAFBLILR-WVNGMBSFSA-N
norman_susdat_id: NS00073490
pubchem_cid: 6918562
inchi:
InChI=1S/C46H83N13O11/c1-12-18-30(39(64)55-36(26(7)13-2)42(67)53-31(19-16-21-50-46(47)48)45(70)59-22-17-20-32(59)40(65)49-15-4)52-44(69)38(28(9)60)57-43(68)37(27(8)14-3)56-41(66)35(25(5)6)54-33(62)23-51-34(63)24-58(11)29(10)61/h25-28,30-32,35-38,60H,12-24H2,1-11H3,(H,49,65)(H,51,63)(H,52,69)(H,53,67)(H,54,62)(H,55,64)(H,56,66)(H,57,68)(H4,47,48,50)/t26-,27-,28+,30-,31-,32-,35-,36-,37+,38-/m0/s1

smiles:
CCC[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN(C)C(C)=O)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NCC)[C@@H](C)CC


name: 1-amino-4-(4-dodecylsulphoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
cas: 25158-37-6
formula: C32H38N2O8S2
inchikey: HCPHPBIMSCSUFT-UHFFFAOYSA-N
norman_susdat_id: NS00083922
smiles: CCCCCCCCCCCCc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)O)c(c1)S(=O)(=O)O
inchi:
InChI=1/C32H38N2O8S2/c1-2-3-4-5-6-7-8-9-10-11-14-21-17-18-24(26(19-21)43(37,38)39)34-25-20-27(44(40,41)42)30(33)29-28(25)31(35)22-15-12-13-16-23(22)32(29)36/h12-13,15-20,34H,2-11,14,33H2,1H3,(H,37,38,39)(H,40,41,42)


name: 9-Octadecenamide, N-[3-(dimethyloxidoamino)propyl]-, (9Z)-
cas: 25159-40-4
chemspiderid: 4941218
dtxsid: DTXSID4067062
formula: C23H46N2O2
inchikey: KNWLLDGCKIABQH-QXMHVHEDSA-N
norman_susdat_id: NS00013919
pubchem_cid: 6436591
smiles: CCCCCCCCC=C/CCCCCCCC(=O)NCCC[N+](C)(C)[O-]
inchi:
InChI=1S/C23H46N2O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23(26)24-21-19-22-25(2,3)27/h11-12H,4-10,13-22H2,1-3H3,(H,24,26)/b12-11-


name: Acevaltrate
cas: 25161-41-5
chebiid: CHEBI:80704
chemspiderid: 59141
dtxsid: DTXSID30179834
formula: C24H32O10
inchikey: FWKBQAVMKVZEOT-STCFVSJZSA-N
norman_susdat_id: NS00027821
pubchem_cid: 65717
smiles: CC(C)CC(=O)O[C@@H]1OC=C(COC(=O)C)C2=C[C@H](OC(=O)CC(C)(C)OC(=O)C)[C@]3(CO3)[C@@H]12
inchi:
InChI=1S/C24H32O10/c1-13(2)7-19(27)33-22-21-17(16(11-30-22)10-29-14(3)25)8-18(24(21)12-31-24)32-20(28)9-23(5,6)34-15(4)26/h8,11,13,18,21-22H,7,9-10,12H2,1-6H3/t18-,21+,22-,24+/m0/s1


name: Benzenesulfonic acid, oxybis[dodecyl-, sodium salt (1:2)
cas: 25167-32-2
chemspiderid: 32696553
dtxsid: DTXSID1057587
formula: C36H58O7S2
inchikey: OIRUSFZUWGSDMR-UHFFFAOYSA-L
norman_susdat_id: NS00019558
pubchem_cid: 92132570
smiles: [Na+].CCCCCCCCCCCCc1c(Oc2c(CCCCCCCCCCCC)c(ccc2)S(=O)(=O)[O-])cccc1S(=O)(=O)O
inchi:
InChI=1S/C36H58O7S2/c1-3-5-7-9-11-13-15-17-19-21-25-31-33(27-23-29-35(31)44(37,38)39)43-34-28-24-30-36(45(40,41)42)32(34)26-22-20-18-16-14-12-10-8-6-4-2/h23-24,27-30H,3-22,25-26H2,1-2H3,(H,37,38,39)(H,40,41,42)


name: Docosahexaenoic acid
cas: 25167-62-8
chebiid: CHEBI:177101
chemspiderid: 4938907
dtxsid: DTXSID5040465
formula: C22H32O2
inchikey: MBMBGCFOFBJSGT-CHRIZAQASA-N
norman_susdat_id: NS00013650
pubchem_cid: 6433873
smiles: CCC=CCC=CCC=CCC=C/C/C=C/C/C=C/CCC(O)=O
inchi:
InChI=1S/C22H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h3-4,6-7,9-10,12-13,15-16,18-19H,2,5,8,11,14,17,20-21H2,1H3,(H,23,24)/b4-3+,7-6+,10-9+,13-12-,16-15+,19-18+


name: Isooctyl (2,4,5-trichlorophenoxy)acetate
cas: 25168-15-4
dtxsid: DTXSID7026075
formula: C16H21Cl3O3
inchikey: AUJUFEAAGGBXNH-UHFFFAOYSA-N
norman_susdat_id: NS00049393
pubchem_cid: 22833480
smiles: O=C(OCCC(CC)CCC)COC1=CC(Cl)=C(Cl)C=C1Cl
inchi:
InChI=1/C16H21Cl3O3/c1-3-5-11(4-2)6-7-21-16(20)10-22-15-9-13(18)12(17)8-14(15)19/h8-9,11H,3-7,10H2,1-2H3


name: diisooctyl 4,4-[(dibutylstannylene)bis(oxy)]bis[4-oxoisocrotonate]
cas: 25168-21-2
dtxsid: DTXSID9067063
formula: C32H56O8Sn
inchikey: VLQWDCKTDZZUSU-UHFFFAOYSA-L
norman_susdat_id: NS00113277
smiles: CCCC[Sn](CCCC)(OC(=O)C=CC(=O)OCCCCCC(C)C)OC(=O)C=CC(=O)OCCCCCC(C)C
inchi:
InChI=1S/2C12H20O4.2C4H9.Sn/c2*1-10(2)6-4-3-5-9-16-12(15)8-7-11(13)14;2*1-3-4-2;/h2*7-8,10H,3-6,9H2,1-2H3,(H,13,14);2*1,3-4H2,2H3;/q;;;;+2/p-2


name: Diisooctyl 2,2'-[(dibutylstannylene)bis(thio)]diacetate
cas: 25168-24-5
dtxsid: DTXSID0027854
formula: C28H56O4S2Sn
inchikey: VNPRJHMMOKDEDZ-UHFFFAOYSA-L
norman_susdat_id: NS00050724
pubchem_cid: NA
smiles: O=C(OCCCCCC(C)C)CS[Sn](SCC(=O)OCCCCCC(C)C)(CCCC)CCCC
inchi:
InChI=1/2C10H20O2S.2C4H9.Sn/c2*1-9(2)6-4-3-5-7-12-10(11)8-13;2*1-3-4-2;/h2*9,13H,3-8H2,1-2H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC28H56O4S2Sn/c1-7-9-21-35(22-10-8-2,33-23-27(29)31-19-15-11-13-17-25(3)4)34-24-28(30)32-20-16-12-14-18-26(5)6/h25-26H,7-24H2,1-6H3


name: Isooctyl (2,4-dichlorophenoxy)acetate
cas: 25168-26-7
formula: C16H22Cl2O3
inchikey: QZSFJRIWRPJUOH-UHFFFAOYSA-N
norman_susdat_id: NS00084344
smiles: CCCCC(CC)COC(=O)COc1ccc(Cl)cc1Cl
inchi:
InChI=1/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


name: Sucrose stearate
cas: 25168-73-4
dtxsid: DTXSID10948025
formula: C30H56O12
inchikey: GFVSRVTZAWLNBD-UTGHZIEOSA-N
norman_susdat_id: NS00049975
pubchem_cid: 21140493
smiles: O=C(OC1C(O)C(OC1(OC2OC(CO)C(O)C(O)C2O)CO)CO)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C30H56O12/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(34)40-28-25(36)22(19-32)41-30(28,20-33)42-29-27(38)26(37)24(35)21(18-31)39-29/h21-22,24-29,31-33,35-38H,2-20H2,1H3


name: 3-[[4-[(5,6-dichlorobenzothiazol-2-yl)azo]phenyl]ethylamino]propiononitrile
cas: 25176-89-0
formula: C18H15Cl2N5S
inchikey: RYYROXKGNRYZSD-UHFFFAOYSA-N
norman_susdat_id: NS00050725
pubchem_cid: 91322
smiles: N#CCCN(C1=CC=C(N=NC2=NC=3C=C(Cl)C(Cl)=CC3S2)C=C1)CC
inchi:
InChI=1/C18H15Cl2N5S/c1-2-25(9-3-8-21)13-6-4-12(5-7-13)23-24-18-22-16-10-14(19)15(20)11-17(16)26-18/h4-7,10-11H,2-3,9H2,1H3


name: 9,10-Anthracenedione, 1-amino-4-hydroxy-2-[4-[(2-oxo-1-pyrrolidinyl)methyl]phenoxy]-
cas: 25177-16-6
chemspiderid: 82461
dtxsid: DTXSID9067065
formula: C25H20N2O5
inchikey: NCHYZOPWMDHYNR-UHFFFAOYSA-N
norman_susdat_id: NS00027826
pubchem_cid: 91323
smiles: Nc1c(Oc2ccc(CN3CCCC3=O)cc2)cc(O)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C25H20N2O5/c26-23-19(32-15-9-7-14(8-10-15)13-27-11-3-6-20(27)29)12-18(28)21-22(23)25(31)17-5-2-1-4-16(17)24(21)30/h1-2,4-5,7-10,12,28H,3,6,11,13,26H2


cas: 25180-11-4
formula: C46H31N7O14S4
inchikey: FEPFZIRBHFDQOT-UHFFFAOYSA-N
norman_susdat_id: NS00083643
name:
4-hydroxy-5-[[4-[[4-[[1-hydroxy-6-(phenylamino)-3-sulpho-2-naphthyl]azo]-6-sulphonaphthyl]azo]naphthyl]azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C46H31N7O14S4/c54-42-24-31(70(62,63)64)20-26-19-30(69(59,60)61)23-41(44(26)42)52-50-38-15-14-37(33-8-4-5-9-34(33)38)48-49-39-16-17-40(36-22-29(68(56,57)58)11-13-35(36)39)51-53-45-43(71(65,66)67)21-25-18-28(10-12-32(25)46(45)55)47-27-6-2-1-3-7-27/h1-24,47,54-55H,(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)

smiles:
OS(=O)(=O)c1cc(O)c9c(c1)cc(cc9N=Nc8ccc(N=Nc6ccc(N=Nc3c(cc2cc(ccc2c3O)Nc4ccccc4)S(O)(=O)=O)c5cc(ccc56)S(O)(=O)=O)c7ccccc78)S(O)(=O)=O


name: 6-amino-3-[[4-[(4-aminophenyl)azo]-6-methoxy-m-tolyl]azo]-4-hydroxynaphthalene-2-sulphonic acid
cas: 25180-12-5
formula: C24H22N6O5S
inchikey: XEOHZCPNNCIHDP-UHFFFAOYSA-N
norman_susdat_id: NS00049981
pubchem_cid: 18060
smiles: O=S(=O)(O)C=1C=C2C=CC(N)=CC2=C(O)C1N=NC3=CC(=C(N=NC4=CC=C(N)C=C4)C=C3OC)C
inchi:
InChI=1/C24H22N6O5S/c1-13-9-20(21(35-2)12-19(13)28-27-17-7-5-15(25)6-8-17)29-30-23-22(36(32,33)34)10-14-3-4-16(26)11-18(14)24(23)31/h3-12,31H,25-26H2,1-2H3,(H,32,33,34)


name: all-cis-4,7,10,13,16-Docosapentaenoic acid
cas: 25182-74-5
chebiid: CHEBI:65136
chemspiderid: 4445975
formula: C22H34O2
inchikey: AVKOENOBFIYBSA-WMPRHZDHSA-N
norman_susdat_id: NS00018677
pubchem_cid: 6441454
smiles: CCCCCC=CCC=CCC=CCC=CCC=CCCC(=O)O
inchi:
InChI=1S/C22H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16,18-19H,2-5,8,11,14,17,20-21H2,1H3,(H,23,24)/b7-6-,10-9-,13-12-,16-15-,19-18-


name: 5,6-dibromocholestan-3ß-ol
cas: 25182-80-3
dtxsid: DTXSID00948039
formula: C27H46Br2O
inchikey: CEQDUQUVPZBDDR-XXGHXXDPSA-N
norman_susdat_id: NS00049993
pubchem_cid: 11272774
smiles: BrC1CC2C3CCC(C(C)CCCC(C)C)C3(C)CCC2C4(C)CCC(O)CC14Br
inchi:
InChI=1/C27H46Br2O/c1-17(2)7-6-8-18(3)21-9-10-22-20-15-24(28)27(29)16-19(30)11-14-26(27,5)23(20)12-13-25(21,22)4/h17-24,30H,6-16H2,1-5H3


cas: 25188-08-3
formula: C36H30N6O13S3
inchikey: MQFVMRKNOJVJBD-UHFFFAOYSA-N
norman_susdat_id: NS00049408
pubchem_cid: 135571033
name:
7-[[[[6-[(o-anisyl)azo]-5-hydroxy-7-sulpho-2-naphthyl]amino]carbonyl]amino]-4-hydroxy-3-[(2-methyl-4-sulphophenyl)azo]naphthalene-2-sulphonic acid

inchi:
InChI=1/C36H30N6O13S3/c1-19-13-25(56(46,47)48)9-12-28(19)40-42-33-31(58(52,53)54)17-22-15-24(8-11-27(22)35(33)44)39-36(45)38-23-7-10-26-21(14-23)16-30(57(49,50)51)32(34(26)43)41-37-18-20-5-3-4-6-29(20)55-2/h3-17,43-44H,18H2,1-2H3,(H2,38,39,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)

smiles:
O=C(NC=1C=CC2=C(O)C(N=NC3=CC=C(C=C3C)S(=O)(=O)O)=C(C=C2C1)S(=O)(=O)O)NC=4C=CC5=C(O)C(N=NCC=6C=CC=CC6OC)=C(C=C5C4)S(=O)(=O)O


name: 7,7'-(carbonyldiimino)bis[4-hydroxy-3-(phenylazo)naphthalene-2-sulphonic] acid
cas: 25188-23-2
formula: C33H24N6O9S2
inchikey: XKNUVBQTZXGYHL-UHFFFAOYSA-N
norman_susdat_id: NS00084374
smiles: OS(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccccc5)c6O)S(O)(=O)=O
inchi:
InChI=1/C33H24N6O9S2/c40-31-25-13-11-23(15-19(25)17-27(49(43,44)45)29(31)38-36-21-7-3-1-4-8-21)34-33(42)35-24-12-14-26-20(16-24)18-28(50(46,47)48)30(32(26)41)39-37-22-9-5-2-6-10-22/h1-18,40-41H,(H2,34,35,42)(H,43,44,45)(H,46,47,48)


cas: 25188-34-5
formula: C35H27N7O10S2
inchikey: ICIJDHUPWYQXGB-UHFFFAOYSA-N
norman_susdat_id: NS00083669
smiles: OS(=O)(=O)c3cc1cc(ccc1c(O)c3N=Nc2ccccc2)NC(=O)Nc4ccc6c(c4)cc(c(N=Nc5ccc(NC(C)=O)cc5)c6O)S(O)(=O)=O
name:
3-[(4-acetamidophenyl)azo]-4-hydroxy-7-[[[[5-hydroxy-6-(phenylazo)-7-sulpho-2-naphthyl]amino]carbonyl]amino]naphthalene-2-sulphonic acid

inchi:
InChI=1/C35H27N7O10S2/c1-19(43)36-22-7-9-24(10-8-22)40-42-32-30(54(50,51)52)18-21-16-26(12-14-28(21)34(32)45)38-35(46)37-25-11-13-27-20(15-25)17-29(53(47,48)49)31(33(27)44)41-39-23-5-3-2-4-6-23/h2-18,44-45H,1H3,(H,36,43)(H2,37,38,46)(H,47,48,49)(H,50,51,52)


name: 7-benzamido-4-hydroxy-3-[[4-[(4-sulphophenyl)azo]phenyl]azo]naphthalene-2-sulphonic acid
cas: 25188-42-5
formula: C29H21N5O8S2
inchikey: IGXZMQCLUNTWCC-UHFFFAOYSA-N
norman_susdat_id: NS00083678
smiles: OS(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc4c(cc3cc(ccc3c4O)NC(=O)c5ccccc5)S(O)(=O)=O
inchi:
InChI=1/C29H21N5O8S2/c35-28-25-15-12-23(30-29(36)18-4-2-1-3-5-18)16-19(25)17-26(44(40,41)42)27(28)34-33-21-8-6-20(7-9-21)31-32-22-10-13-24(14-11-22)43(37,38)39/h1-17,35H,(H,30,36)(H,37,38,39)(H,40,41,42)


cas: 25188-53-8
formula: C32H29N5O8S2
inchikey: XRCOXKGRXOPBFA-UHFFFAOYSA-N
norman_susdat_id: NS00083954
smiles: COc5cc(N=Nc1c(cc(C)cc1C)S(O)(=O)=O)c(C)cc5N=Nc4c(cc3cc(Nc2ccccc2)ccc3c4O)S(O)(=O)=O
name:
7-anilino-3-[[4-[(2,4-dimethyl-6-sulphophenyl)azo]-6-methoxy-m-tolyl]azo]-4-hydroxynaphthalene-2-sulphonic acid

inchi:
InChI=1/C32H29N5O8S2/c1-18-12-20(3)30(28(13-18)46(39,40)41)36-34-25-17-27(45-4)26(14-19(25)2)35-37-31-29(47(42,43)44)16-21-15-23(10-11-24(21)32(31)38)33-22-8-6-5-7-9-22/h5-17,33,38H,1-4H3,(H,39,40,41)(H,42,43,44)


name: Tetrasodium 7,16-dichloro-6,15-dihydroanthrazine-5,9,14,18-tetrayl tetrakis(sulphate)
cas: 2519-28-0
formula: C28H16Cl2N2O16S4.4Na
inchikey: BBUUHUCPYAPBCE-UHFFFAOYSA-J
norman_susdat_id: NS00081738
inchi:
InChI=1/C28H16Cl2N2O16S4.4Na/c29-17-9-15-19(27(47-51(39,40)41)13-7-3-1-5-11(13)25(15)45-49(33,34)35)23-21(17)32-24-20-16(10-18(30)22(24)31-23)26(46-50(36,37)38)12-6-2-4-8-14(12)28(20)48-52(42,43)44;;;;/h1-10,31-32H,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)Oc1c2ccccc2c(OS(=O)(=O)[O-])c3c4Nc5c(Cl)cc6c(OS(=O)(=O)[O-])c7ccccc7c(OS(=O)(=O)[O-])c6c5Nc4c(Cl)cc13


name: Black PN
cas: 2519-30-4
chemspiderid: 5290260
dtxsid: DTXSID2020183
formula: C28H21N5O14S4
inchikey: GLYGUVLXVFKNKD-HEDYODHQSA-N
norman_susdat_id: NS00013495
pubchem_cid: NA
inchi:
InChI=1S/C28H21N5O14S4.4Na/c1-14(34)29-23-10-11-24(50(42,43)44)20-13-25(51(45,46)47)27(28(35)26(20)23)33-32-22-9-8-21(18-7-6-17(12-19(18)22)49(39,40)41)31-30-15-2-4-16(5-3-15)48(36,37)38;;;;/h2-13,32H,1H3,(H,29,34)(H,36,37,38)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;;/q;4*+1/p-4/b31-30?,33-27-;;;;

smiles:
[Na+].[Na+].[Na+].[Na+].CC(=O)Nc1ccc(c2C=C(/C(=N/Nc3ccc(N=Nc4ccc(cc4)[S]([O-])(=O)=O)c5ccc(cc35)[S]([O-])(=O)=O)C(=O)c12)[S]([O-])(=O)=O)[S]([O-])(=O)=O


name: [2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]trimethylammonium chloride
cas: 25198-22-5
dtxsid: DTXSID50885288
formula: C19H26ClN5O2
inchikey: ZFRUNHQZTYGGDY-UHFFFAOYSA-M
norman_susdat_id: NS00050763
pubchem_cid: 91331
smiles: [Cl-].O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2)N(CC)CC[N+](C)(C)C)C(Cl)=C1
inchi:
InChI=1/C19H25ClN5O2.ClH/c1-5-23(12-13-25(2,3)4)16-8-6-15(7-9-16)21-22-19-11-10-17(24(26)27)14-18(19)20;/h6-11,14H,5,12-13H2,1-4H3;1H/q+1;/p-1


name: CP 547632
cas: 252003-65-9
dtxsid: DTXSID00179866
formula: C20H24BrF2N5O3S
inchikey: HXHAJRMTJXHJJZ-UHFFFAOYSA-N
norman_susdat_id: NS00069383
pubchem_cid: 9811611
smiles: NC(=O)c1c(OCc2c(F)cc(Br)cc2F)nsc1NC(=O)NCCCCN1CCCC1
inchi:
InChI=1S/C20H24BrF2N5O3S/c21-12-9-14(22)13(15(23)10-12)11-31-18-16(17(24)29)19(32-27-18)26-20(30)25-5-1-2-6-28-7-3-4-8-28/h9-10H,1-8,11H2,(H2,24,29)(H2,25,26,30)


name: 4-[3-chloro-4-(3,3,3-trifluoro-2-hydroxy-2-methylpropanamido)benzenesulfonyl]-n,n-dimethylbenzamide
cas: 252017-04-2
chebiid: CHEBI:49490
formula: C19H18ClF3N2O5S
inchikey: DTDZLJHKVNTQGZ-GOSISDBHSA-N
norman_susdat_id: NS00068633
pubchem_cid: 16741245
smiles: CN(C)C(=O)c1ccc(S(=O)(=O)c2ccc(NC(=O)[C@@](C)(O)C(F)(F)F)c(Cl)c2)cc1
inchi:
InChI=1S/C19H18ClF3N2O5S/c1-18(28,19(21,22)23)17(27)24-15-9-8-13(10-14(15)20)31(29,30)12-6-4-11(5-7-12)16(26)25(2)3/h4-10,28H,1-3H3,(H,24,27)/t18-/m1/s1


cas: 25212-06-0
norman_susdat_id: NS00112526
name:
Hexanedioic acid, polymer with 1,6-hexanediol; Hexanedioic acid- hexane-1,6-diol(1:1); Hexanediol, adipic acid polymer; Adipic acid, 1,6-hexanediol polymer


name: (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Henicosafluorododecyl)phosphonic acid
cas: 252237-39-1
dtxsid: DTXSID10895666
formula: C12H6F21O3P
inchikey: PMWXDQPVJHEZJK-UHFFFAOYSA-N
norman_susdat_id: NS00109361
smiles: OP(O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H6F21O3P/c13-3(14,1-2-37(34,35)36)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2,(H2,34,35,36)


name: 2-(Perfluorohexyl)ethylphosphonic acid
cas: 252237-40-4
chemspiderid: 26323889
dtxsid: DTXSID20179883
formula: C8H6F13O3P1
inchikey: DEXIXSRZQUFPIK-UHFFFAOYSA-N
norman_susdat_id: NS00018872
pubchem_cid: 53756597
smiles: OP(O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C8H6F13O3P/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/h1-2H2,(H2,22,23,24)


name: Trimethyl[2-(stearoyloxy)ethyl]ammonium chloride
cas: 25234-57-5
formula: C23H48NO2.Cl
inchikey: HHADJUZGKVNYLU-UHFFFAOYSA-M
norman_susdat_id: NS00084384
smiles: [Cl-].CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C
inchi:
InChI=1/C23H48NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(25)26-22-21-24(2,3)4;/h5-22H2,1-4H3;1H/q+1;/p-1


name: 2-lauroyloxyethyltrimethylammonium chloride
cas: 25234-60-0
dtxsid: DTXSID50948084
formula: C17H36NO2
inchikey: BBJUKVPDIPYNBS-UHFFFAOYSA-M
norman_susdat_id: NS00050784
pubchem_cid: 91343
smiles: [Cl-].O=C(OCC[N+](C)(C)C)CCCCCCCCCCC
inchi:
InChI=1/C17H36NO2.ClH/c1-5-6-7-8-9-10-11-12-13-14-17(19)20-16-15-18(2,3)4;/h5-16H2,1-4H3;1H/q+1;/p-1


cas: 25243-59-8
dtxsid: DTXSID40948093
formula: C29H32Cl4N4O4
inchikey: FVPLFPCYYHLOOS-UHFFFAOYSA-N
norman_susdat_id: NS00050786
pubchem_cid: NA
smiles: [Br-].O=C(OCCN1C2=CC(Cl)=C(Cl)C=C2N(C1=CC=CC3N(C4=CC(Cl)=C(Cl)C=C4[NH+]3CCOC(=O)C)CC)CC)C
name:
1-[2-(acetoxy)ethyl]-2-[3-[3-[2-(acetoxy)ethyl]-5,6-dichloro-1-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propenyl]-5,6-dichloro-3-ethyl-1H-benzimidazolium bromide

inchi:
InChI=1/C29H32Cl4N4O4.BrH/c1-5-34-24-14-20(30)22(32)16-26(24)36(10-12-40-18(3)38)28(34)8-7-9-29-35(6-2)25-15-21(31)23(33)17-27(25)37(29)11-13-41-19(4)39;/h7-9,14-17,28H,5-6,10-13H2,1-4H3;1H


name: 1-(10H-Phenothiazin-2-yl)butan-1-one
cas: 25244-91-1
chemspiderid: 82488
dtxsid: DTXSID40179901
formula: C16H15N1O1S1
inchikey: NUWCYIDJOKYQFA-UHFFFAOYSA-N
norman_susdat_id: NS00027840
pubchem_cid: 91352
smiles: CCCC(=O)c1ccc2Sc3c(Nc2c1)cccc3
inchi:
InChI=1S/C16H15NOS/c1-2-5-14(18)11-8-9-16-13(10-11)17-12-6-3-4-7-15(12)19-16/h3-4,6-10,17H,2,5H2,1H3


name: (-)-Alloaromadendrene
cas: 25246-27-9
chemspiderid: 9075000
dtxsid: DTXSID70881267
formula: C15H24
inchikey: ITYNGVSTWVVPIC-DHGKCCLASA-N
norman_susdat_id: NS00113748
pubchem_cid: 10899740
smiles: [H][C@]12CC[C@@H](C)[C@@]1([H])[C@H]1[C@@H](CCC2=C)C1(C)C
inchi:
InChI=1S/C15H24/c1-9-6-8-12-14(15(12,3)4)13-10(2)5-7-11(9)13/h10-14H,1,5-8H2,2-4H3/t10-,11-,12-,13-,14-/m1/s1


name: Poly(N-acetylglucosamine 1-phosphate)
cas: 25249-56-3
chebiid: CHEBI:16446
chemspiderid: 389323
dtxsid: DTXSID00179902
formula: C8H16N1O9P1
inchikey: FZLJPEPAYPUMMR-FMDGEEDCSA-N
norman_susdat_id: NS00015233
pubchem_cid: 440364
smiles: CC(=O)NC1C(C(C(OC1OP(=O)(O)O)CO)O)O
inchi:
InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6-,7-,8-/m1/s1


cas: 25251-40-5
formula: C26H25N3O14S4
inchikey: RZQIESOJYPKMNZ-UHFFFAOYSA-K
norman_susdat_id: NS00050063
pubchem_cid: 3015336
name:
Trisodium 4-hydroxy-3-[[2-methoxy-5-methyl-4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-6-[(3-sulphonatophenyl)amino]naphthalene-2-sulphonate

inchi:
InChI=1/C26H25N3O14S4.3Na/c1-15-10-21(22(42-2)14-23(15)44(31,32)9-8-43-47(39,40)41)28-29-25-24(46(36,37)38)11-16-6-7-18(13-20(16)26(25)30)27-17-4-3-5-19(12-17)45(33,34)35;;;/h3-7,10-14,27,30H,8-9H2,1-2H3,(H,33,34,35)(H,36,37,38)(H,39,40,41);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])OCCS(=O)(=O)C1=CC(OC)=C(N=NC2=C(O)C3=CC(=CC=C3C=C2S(=O)(=O)[O-])NC4=CC=CC(=C4)S(=O)(=O)[O-])C=C1C


name: 4-Hydroxy-6-(3-sulphoanilino)naphthalene-2-sulphonic acid
cas: 25251-42-7
chemspiderid: 82491
dtxsid: DTXSID60179908
formula: C16H13N1O7S2
inchikey: LSDXXYNYKPLONE-UHFFFAOYSA-N
norman_susdat_id: NS00027845
pubchem_cid: 91355
smiles: Oc1c2cc(Nc3cc(ccc3)S(=O)(=O)O)ccc2cc(c1)S(=O)(=O)O
inchi:
InChI=1S/C16H13NO7S2/c18-16-9-14(26(22,23)24)6-10-4-5-12(8-15(10)16)17-11-2-1-3-13(7-11)25(19,20)21/h1-9,17-18H,(H,19,20,21)(H,22,23,24)


name: 2-Naphthalenecarboxamide, N-(4-chloro-2,5-dimethoxyphenyl)-3-hydroxy-7-methoxy-
cas: 25252-92-0
chemspiderid: 82494
dtxsid: DTXSID3067071
formula: C20H18Cl1N1O5
inchikey: XIMFIRVKPMICRK-UHFFFAOYSA-N
norman_susdat_id: NS00021077
pubchem_cid: 91358
smiles: COc1cc2cc(C(=O)Nc3cc(OC)c(Cl)cc3OC)c(O)cc2cc1
inchi:
InChI=1S/C20H18ClNO5/c1-25-13-5-4-11-8-17(23)14(7-12(11)6-13)20(24)22-16-10-18(26-2)15(21)9-19(16)27-3/h4-10,23H,1-3H3,(H,22,24)


cas: 25254-23-3
formula: C20H14Cl2N6O8S2
inchikey: AXIQHVSCTJFZLB-UHFFFAOYSA-N
norman_susdat_id: NS00049455
pubchem_cid: 91359
smiles: O=S(=O)(O)C1=CC(OC)=CC=C1N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)O)NC=4N=C(Cl)N=C(Cl)N4
name:
7-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-4-hydroxy-3-[(4-methoxy-2-sulphophenyl)azo]naphthalene-2-sulphonic acid

inchi:
InChI=1/C20H14Cl2N6O8S2/c1-36-11-3-5-13(14(8-11)37(30,31)32)27-28-16-15(38(33,34)35)7-9-6-10(2-4-12(9)17(16)29)23-20-25-18(21)24-19(22)26-20/h2-8,29H,1H3,(H,30,31,32)(H,33,34,35)(H,23,24,25,26)


name: 1-((3-(Dimethylamino)propyl)amino)-4-(methylamino)anthraquinone
cas: 25264-26-0
chemspiderid: 82497
dtxsid: DTXSID70179914
formula: C20H23N3O2
inchikey: WBXFUQWYLUPTDE-UHFFFAOYSA-N
norman_susdat_id: NS00027848
pubchem_cid: 91362
smiles: CNc1c2C(=O)c3c(cccc3)C(=O)c2c(NCCCN(C)C)cc1
inchi:
InChI=1S/C20H23N3O2/c1-21-15-9-10-16(22-11-6-12-23(2)3)18-17(15)19(24)13-7-4-5-8-14(13)20(18)25/h4-5,7-10,21-22H,6,11-12H2,1-3H3


name: Sodium 3-[(phenylsulphonyl)amino]propanesulphonate
cas: 25264-32-8
dtxsid: DTXSID8067072
formula: C9H13NO5S2
inchikey: FYPGEZDJXUJJJG-UHFFFAOYSA-M
norman_susdat_id: NS00050252
pubchem_cid: 91364
smiles: [Na+].O=S(=O)([O-])CCCNS(=O)(=O)C=1C=CC=CC1
inchi:
InChI=1/C9H13NO5S2.Na/c11-16(12,13)8-4-7-10-17(14,15)9-5-2-1-3-6-9;/h1-3,5-6,10H,4,7-8H2,(H,11,12,13);/q;+1/p-1


name: TRIMETHYLOLPROPANE TRILAURATE
cas: 25268-73-9
chemspiderid: 82501
formula: C42H80O6
inchikey: GSAHAZJWNMHSNI-UHFFFAOYSA-N
norman_susdat_id: NS00014184
pubchem_cid: 91367
smiles: CCCCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCCCC)COC(=O)CCCCCCCCCCC
inchi:
InChI=1S/C42H80O6/c1-5-9-12-15-18-21-24-27-30-33-39(43)46-36-42(8-4,37-47-40(44)34-31-28-25-22-19-16-13-10-6-2)38-48-41(45)35-32-29-26-23-20-17-14-11-7-3/h5-38H2,1-4H3


name: 2-Ethyl-2-((myristoyloxy)methyl)propane-1,3-diyl dimyristate
cas: 25268-74-0
chemspiderid: 82502
dtxsid: DTXSID90179916
formula: C48H92O6
inchikey: OSBNQQXXUPNGNT-UHFFFAOYSA-N
norman_susdat_id: NS00027849
pubchem_cid: 91368
smiles: CCCCCCCCCCCCCC(=O)OCC(CC)(COC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC
inchi:
InChI=1S/C48H92O6/c1-5-9-12-15-18-21-24-27-30-33-36-39-45(49)52-42-48(8-4,43-53-46(50)40-37-34-31-28-25-22-19-16-13-10-6-2)44-54-47(51)41-38-35-32-29-26-23-20-17-14-11-7-3/h5-44H2,1-4H3


name: N-Methylperfluorooctanesulfonamidoethyl acrylate
cas: 25268-77-3
chemspiderid: 82503
dtxsid: DTXSID80865199
formula: C14H10F17N1O4S1
inchikey: RTJZWOGSCLVJLD-UHFFFAOYSA-N
norman_susdat_id: NS00011334
pubchem_cid: 91369
smiles: C[N@@](CCOC(C=C)=O)S(C(C(C(C(C(F)(F)C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(=O)=O
inchi:
InChI=1S/C14H10F17NO4S/c1-3-6(33)36-5-4-32(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/h3H,1,4-5H2,2H3


