# cl_id

name: Topiramate
cas: 97240-79-4
chebiid: CHEBI:63631
chemspiderid: 4447672
dtxsid: DTXSID8023688
formula: C12H21N1O8S1
inchikey: KJADKKWYZYXHBB-XBWDGYHZSA-N
norman_susdat_id: NS00010259
pubchem_cid: 5284627
smiles: CC1(O[C@@H]2CO[C@@]3([C@H]([C@@H]2O1)OC(O3)(C)C)COS(=O)(=O)N)C
inchi:
InChI=1S/C12H21NO8S/c1-10(2)18-7-5-16-12(6-17-22(13,14)15)9(8(7)19-10)20-11(3,4)21-12/h7-9H,5-6H2,1-4H3,(H2,13,14,15)/t7-,8-,9+,12+/m1/s1


name: Azosulfamethoxazole
cas: 97254-40-5
chemspiderid: NA
formula: C20H18N6O6S2
inchikey: LKONNMIYDGANDD-DQRAZIAOSA-N
norman_susdat_id: NS00005932
pubchem_cid: NA
smiles: Cc1cc(NS(=O)(=O)c2ccc(cc2)N=N/c2ccc(cc2)S(=O)(=O)Nc2cc(C)on2)no1
inchi:
InChI=1S/C20H18N6O6S2/c1-13-11-19(23-31-13)25-33(27,28)17-7-3-15(4-8-17)21-22-16-5-9-18(10-6-16)34(29,30)26-20-12-14(2)32-24-20/h3-12H,1-2H3,(H,23,25)(H,24,26)/b22-21-


name: 2,2'-[[3-[2-(dodecyloxy)ethoxy]propyl]imino]bisethanol
cas: 97259-63-7
dtxsid: DTXSID80242825
formula: C21H45NO4
inchikey: XITWNPISXBICLI-UHFFFAOYSA-N
norman_susdat_id: NS00065405
pubchem_cid: 44148955
smiles: OCCN(CCO)CCCOCCOCCCCCCCCCCCC
inchi:
InChI=1/C21H45NO4/c1-2-3-4-5-6-7-8-9-10-11-18-25-20-21-26-19-12-13-22(14-16-23)15-17-24/h23-24H,2-21H2,1H3


name: N-(2-butoxyethyl)-N-ethyl-4-[(5-nitro-2-thiazolyl)azo]aniline
cas: 97259-70-6
formula: C17H24N5O3S
inchikey: CDNQZZFCKSPREX-UHFFFAOYSA-N
norman_susdat_id: NS00065406
pubchem_cid: 3024797
smiles: O=[N+]([O-])C=1SC(N=NC2=CC=C(C=C2)N(CC)CCOCCCC)=NC1
inchi:
InChI=1/C17H23N5O3S/c1-3-5-11-25-12-10-21(4-2)15-8-6-14(7-9-15)19-20-17-18-13-16(26-17)22(23)24/h6-9,13H,3-5,10-12H2,1-2H3


name: N-ethyl-4-[(5-nitrothiazol-2-yl)azo]-N-(2-octyloxyethyl)aniline
cas: 97259-71-7
formula: C21H32N5O3S
inchikey: UVHUVIDLPCPMKK-UHFFFAOYSA-N
norman_susdat_id: NS00065885
pubchem_cid: 3024798
smiles: O=[N+]([O-])C=1SC(N=NC2=CC=C(C=C2)N(CC)CCOCCCCCCCC)=NC1
inchi:
InChI=1/C21H31N5O3S/c1-3-5-6-7-8-9-15-29-16-14-25(4-2)19-12-10-18(11-13-19)23-24-21-22-17-20(30-21)26(27)28/h10-13,17H,3-9,14-16H2,1-2H3


name: 4-dodecyl-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-one
cas: 97259-72-8
dtxsid: DTXSID60914038
formula: C22H34N2O
inchikey: YVLZXJFEADROFR-UHFFFAOYSA-N
norman_susdat_id: NS00065439
pubchem_cid: 3024799
smiles: O=C1N(N=C(C)C1CCCCCCCCCCCC)C=2C=CC=CC2
inchi:
InChI=1/C22H34N2O/c1-3-4-5-6-7-8-9-10-11-15-18-21-19(2)23-24(22(21)25)20-16-13-12-14-17-20/h12-14,16-17,21H,3-11,15,18H2,1-2H3


name: Dichloropropoxytitanium
cas: 97259-74-0
formula: C3H7Cl2OTi
inchikey: YBXWYQQDQAVRCI-UHFFFAOYSA-L
norman_susdat_id: NS00092683
smiles: CCCO[Ti](Cl)Cl
inchi:
InChI=1/C3H7O.2ClH.Ti/c1-2-3-4;;;/h2-3H2,1H3;2*1H;/q-1;;;+3/p-2/rC3H7Cl2OTi/c1-2-3-6-7(4)5/h2-3H2,1H3


name: Dichloro(pentyloxy)titanium
cas: 97259-79-5
formula: C5H11Cl2OTi
inchikey: ZUFZCBQCHSPQPC-UHFFFAOYSA-L
norman_susdat_id: NS00092694
smiles: CCCCCO[Ti](Cl)Cl
inchi:
InChI=1/C5H11O.2ClH.Ti/c1-2-3-4-5-6;;;/h2-5H2,1H3;2*1H;/q-1;;;+3/p-2/rC5H11Cl2OTi/c1-2-3-4-5-8-9(6)7/h2-5H2,1H3


cas: 97259-81-9
dtxsid: DTXSID70893305
formula: C15H10F17NO4
inchikey: XNKYZUYJMBXTGL-UPHRSURJSA-N
norman_susdat_id: NS00065440
pubchem_cid: 6433056
smiles: O=C(O)C=CC(=O)NCC(O)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:
4-oxo-4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoro-2-hydroxyundecyl)amino]isocrotonic acid

inchi:
InChI=1/C15H10F17NO4/c16-8(17,3-5(34)4-33-6(35)1-2-7(36)37)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)14(28,29)15(30,31)32/h1-2,5,34H,3-4H2,(H,33,35)(H,36,37)


name: Sulphanilic acid, compound with N,1,5-trimethylhexylamine (1:1)
cas: 97259-83-1
formula: C9H21N.C6H7NO3S
inchikey: AXUQJXMVHKRFMV-UHFFFAOYSA-N
norman_susdat_id: NS00092966
smiles: CNC(C)CCCC(C)C.Nc1ccc(cc1)S(=O)(=O)O
inchi:
InChI=1/C9H21N.C6H7NO3S/c1-8(2)6-5-7-9(3)10-4;7-5-1-3-6(4-2-5)11(8,9)10/h8-10H,5-7H2,1-4H3;1-4H,7H2,(H,8,9,10)


name: Decyl 16-methylheptadecanoate
cas: 97259-84-2
dtxsid: DTXSID70914029
formula: C28H56O2
inchikey: UUHBCYOCNFWRAH-UHFFFAOYSA-N
norman_susdat_id: NS00065441
pubchem_cid: 3024804
smiles: O=C(OCCCCCCCCCC)CCCCCCCCCCCCCCC(C)C
inchi:
InChI=1/C28H56O2/c1-4-5-6-7-8-17-20-23-26-30-28(29)25-22-19-16-14-12-10-9-11-13-15-18-21-24-27(2)3/h27H,4-26H2,1-3H3


name: ISOSTEARYL ERUCATE
cas: 97259-85-3
chemspiderid: 4675777
formula: C40H78O2
inchikey: BDYMKXOJTJMBDU-VAWYXSNFSA-N
norman_susdat_id: NS00013798
pubchem_cid: 5744352
smiles: CCCCCCCC/C=C/CCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C
inchi:
InChI=1S/C40H78O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-31-34-37-40(41)42-38-35-32-29-26-23-20-17-18-21-24-27-30-33-36-39(2)3/h11-12,39H,4-10,13-38H2,1-3H3/b12-11+


cas: 97259-87-5
dtxsid: DTXSID10914028
formula: C32H38N4O15S4
inchikey: IQJQDQLPOSULRT-UHFFFAOYSA-J
norman_susdat_id: NS00065395
pubchem_cid: 13565729
name:
Tetrasodium 1,1'-[[5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diyl]diimino]bis[3-phenylpropane-1,3-disulphonate]

inchi:
InChI=1/C32H38N4O15S4.4Na/c1-49-24-15-20(16-25(50-2)30(24)51-3)14-23-19-33-32(35-29(55(46,47)48)18-27(53(40,41)42)22-12-8-5-9-13-22)36-31(23)34-28(54(43,44)45)17-26(52(37,38)39)21-10-6-4-7-11-21;;;;/h4-13,15-16,19,26-29H,14,17-18H2,1-3H3,(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H2,33,34,35,36);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C(NC1=NC=C(C(=N1)NC(CC(C=2C=CC=CC2)S(=O)(=O)[O-])S(=O)(=O)[O-])CC3=CC(OC)=C(OC)C(OC)=C3)CC(C=4C=CC=CC4)S(=O)(=O)[O-]


name: N-phenyloleamide hydrochloride
cas: 97259-88-6
formula: C24H39NO.ClH
inchikey: SENIITWZZPANOQ-KVVVOXFISA-N
norman_susdat_id: NS00092695
smiles: Cl.CCCCCCCC\C=C/CCCCCCCC(=O)Nc1ccccc1
inchi:
InChI=1/C24H39NO.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-24(26)25-23-20-17-16-18-21-23;/h9-10,16-18,20-21H,2-8,11-15,19,22H2,1H3,(H,25,26);1H


name: Tris(2-hydroxyethyl)ammonium dimethylheptanoate
cas: 97259-94-4
formula: C9H18O2.C6H15NO3
inchikey: YDBGWUWOAKILBV-UHFFFAOYSA-N
norman_susdat_id: NS00092685
smiles: CCCCCC(C)(C)C(=O)[O-].OCC[NH+](CCO)CCO
inchi:
InChI=1/C9H18O2.C6H15NO3/c1-4-5-6-7-9(2,3)8(10)11;8-4-1-7(2-5-9)3-6-10/h4-7H2,1-3H3,(H,10,11);8-10H,1-6H2


name: Tris[9-(2-carboxyphenyl)-3,6-bis(diethylamino)xanthylium] phosphate
cas: 97280-69-8
formula: C28H31N2O3.1/3O4P
inchikey: UZRKOJLQCTWNFY-UHFFFAOYSA-N
norman_susdat_id: NS00092968
inchi:
InChI=1/3C28H30N2O3.H3O4P/c3*1-5-29(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;1-5(2,3)4/h3*9-18H,5-8H2,1-4H3;(H3,1,2,3,4)

smiles:
CCN(CC)c1ccc2c(c3ccccc3C(=O)O)c4ccc(cc4[o+]c2c1)N(CC)CC.CCN(CC)c5ccc6c(c7ccccc7C(=O)O)c8ccc(cc8[o+]c6c5)N(CC)CC.CCN(CC)c9ccc%10c(c%11ccccc%11C(=O)O)c%12ccc(cc%12[o+]c%10c9)N(CC)CC.[O-]P(=O)([O-])[O-]


name: Epinephrine acetate
cas: 97289-42-4
dtxsid: DTXSID80242845
formula: C11H17NO5
inchikey: CEBXQLPKMNOIHN-FVGYRXGTSA-N
norman_susdat_id: NS00076422
smiles: CC(O)=O.CNC[C@H](O)C1=CC(O)=C(O)C=C1
inchi:
InChI=1S/C9H13NO3.C2H4O2/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;1-2(3)4/h2-4,9-13H,5H2,1H3;1H3,(H,3,4)/t9-;/m0./s1


name: Glycine, N-[(heptadecafluorooctyl)sulfonyl]-N-methyl-, chromium complex
cas: 97298-47-0
dtxsid: DTXSID30883020
formula: C11H7Cl6Cr3F17NO6S
inchikey: UTXCNWRJGAUTRJ-UHFFFAOYSA-E
norman_susdat_id: NS00109984
inchi:
InChI=1S/C11H6F17NO4S.6ClH.3Cr.2H2O/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);6*1H;;;;2*1H2/q;;;;;;;3*+2;;/p-9

smiles:
[H][O-]1[Cr++]([Cl-])([Cl-])[O-]C(CN(C)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=[O]/[Cr++]([Cl-])([Cl-])[O-]([H])[Cr++]1([Cl-])[Cl-]


cas: 973-99-9
formula: C15H24N4O2S2.ClH
inchikey: DURRYBGTQKKQBR-UHFFFAOYSA-N
norman_susdat_id: NS00080133
smiles: Cl.Nc1nc(C)ncc1CN(C=O)C(C)=C(CCO)SSCCC
name:
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[4-hydroxy-1-methyl-2-(propyldithio)but-1-en-1-yl]formamide monohydrochloride

inchi:
InChI=1/C15H24N4O2S2.ClH/c1-4-7-22-23-14(5-6-20)11(2)19(10-21)9-13-8-17-12(3)18-15(13)16;/h8,10,20H,4-7,9H2,1-3H3,(H2,16,17,18);1H


name: Troglitazone
cas: 97322-87-7
chebiid: CHEBI:9753
chemspiderid: 5389
dtxsid: DTXSID8023719
formula: C24H27N1O5S1
inchikey: GXPHKUHSUJUWKP-UHFFFAOYSA-N
norman_susdat_id: NS00015646
pubchem_cid: 5591
smiles: CC1=C(C(=C2CCC(OC2=C1C)(C)COC3=CC=C(C=C3)CC4C(=O)NC(=O)S4)C)O
inchi:
InChI=1S/C24H27NO5S/c1-13-14(2)21-18(15(3)20(13)26)9-10-24(4,30-21)12-29-17-7-5-16(6-8-17)11-19-22(27)25-23(28)31-19/h5-8,19,26H,9-12H2,1-4H3,(H,25,27,28)


cas: 97331-50-5
dtxsid: DTXSID40897577
formula: C33H42F8N2O4
inchikey: LKKFNVRPVRAJCV-UHFFFAOYSA-N
norman_susdat_id: NS00110503
smiles: CCC(C)(C)C1=CC(=C(OCCCCCC(=O)NC2=CC(O)=C(NC(=O)C(F)(F)C(F)(F)C(F)C(F)(F)F)C=C2)C=C1)C(C)(C)CC
name:
Hexanamide, 6-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[3-hydroxy-4-[(octafluoro-1-oxopentyl)amino]phenyl]- (9CI)

inchi:
InChI=1/C33H42F8N2O4/c1-7-29(3,4)20-13-16-25(22(18-20)30(5,6)8-2)47-17-11-9-10-12-26(45)42-21-14-15-23(24(44)19-21)43-28(46)32(37,38)31(35,36)27(34)33(39,40)41/h13-16,18-19,27,44H,7-12,17H2,1-6H3,(H,42,45)(H,43,46)


name: Calcium bis[2-C-(hydroxymethyl)-D-mannonate]
cas: 97334-72-0
formula: C7H14O8.1/2Ca
inchikey: YYWXXJVQDUJGBU-QDGZFKSUSA-L
norman_susdat_id: NS00092878
inchi:
InChI=1/2C7H14O8.Ca/c2*8-1-3(10)4(11)5(12)7(15,2-9)6(13)14;/h2*3-5,8-12,15H,1-2H2,(H,13,14);/q;;+2/p-2

smiles:
[Ca+2].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@](O)(CO)C(=O)[O-].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@](O)(CO)C(=O)[O-]


name: 1-benzyl-4,5-dihydro-1-[2-[(1-oxododecyl)amino]ethyl]-2-undecyl-1H-imidazolium chloride
cas: 97337-76-3
dtxsid: DTXSID20913981
formula: C35H62N3O
inchikey: WHTGXHONEOIAIJ-UHFFFAOYSA-N
norman_susdat_id: NS00065920
pubchem_cid: 44148043
smiles: [Cl-].O=C(NCC[N+]1(C(=NCC1)CCCCCCCCCCC)CC=2C=CC=CC2)CCCCCCCCCCC
inchi:
InChI=1/C35H61N3O.ClH/c1-3-5-7-9-11-13-15-17-22-26-34-36-28-30-38(34,32-33-24-20-19-21-25-33)31-29-37-35(39)27-23-18-16-14-12-10-8-6-4-2;/h19-21,24-25H,3-18,22-23,26-32H2,1-2H3;1H


name: 1-benzyl-4,5-dihydro-1-[2-[(1-oxotetradecyl)amino]ethyl]-2-tridecyl-1H-imidazolium chloride
cas: 97337-77-4
dtxsid: DTXSID60913980
formula: C39H70N3O
inchikey: CEWKGAJIXLTVBL-UHFFFAOYSA-N
norman_susdat_id: NS00066317
pubchem_cid: 44151053
smiles: [Cl-].O=C(NCC[N+]1(C(=NCC1)CCCCCCCCCCCCC)CC=2C=CC=CC2)CCCCCCCCCCCCC
inchi:
InChI=1/C39H69N3O.ClH/c1-3-5-7-9-11-13-15-17-19-21-26-30-38-40-32-34-42(38,36-37-28-24-23-25-29-37)35-33-41-39(43)31-27-22-20-18-16-14-12-10-8-6-4-2;/h23-25,28-29H,3-22,26-27,30-36H2,1-2H3;1H


name: 1-benzyl-4,5-dihydro-1-[3-[(1-oxododecyl)amino]propyl]-2-undecyl-1H-imidazolium chloride
cas: 97337-79-6
dtxsid: DTXSID90913978
formula: C36H64N3O
inchikey: BYQZAVIIAGXXFY-UHFFFAOYSA-N
norman_susdat_id: NS00065921
pubchem_cid: 44148142
smiles: [Cl-].O=C(NCCC[N+]1(C(=NCC1)CCCCCCCCCCC)CC=2C=CC=CC2)CCCCCCCCCCC
inchi:
InChI=1/C36H63N3O.ClH/c1-3-5-7-9-11-13-15-17-22-27-35-37-30-32-39(35,33-34-25-20-19-21-26-34)31-24-29-38-36(40)28-23-18-16-14-12-10-8-6-4-2;/h19-21,25-26H,3-18,22-24,27-33H2,1-2H3;1H


name: 1-benzyl-4,5-dihydro-1-[3-[(1-oxotetradecyl)amino]propyl]-2-tridecyl-1H-imidazolium chloride
cas: 97337-80-9
dtxsid: DTXSID30913977
formula: C40H72N3O
inchikey: UXEQJLXXCVSCDD-UHFFFAOYSA-N
norman_susdat_id: NS00065922
pubchem_cid: 44150346
smiles: [Cl-].O=C(NCCC[N+]1(C(=NCC1)CCCCCCCCCCCCC)CC=2C=CC=CC2)CCCCCCCCCCCCC
inchi:
InChI=1/C40H71N3O.ClH/c1-3-5-7-9-11-13-15-17-19-21-26-31-39-41-34-36-43(39,37-38-29-24-23-25-30-38)35-28-33-42-40(44)32-27-22-20-18-16-14-12-10-8-6-4-2;/h23-25,29-30H,3-22,26-28,31-37H2,1-2H3;1H


cas: 97337-83-2
formula: C24H28N3.HO
inchikey: JETATQKWLZODIK-UHFFFAOYSA-N
norman_susdat_id: NS00093350
smiles: [OH-].CNc1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccc(cc3)N(C)C
name:
[4-[[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium hydroxide

inchi:
InChI=1/C24H27N3.H2O/c1-25-21-12-6-18(7-13-21)24(19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5;/h6-17H,1-5H3;1H2


name: 1,2,3,4,5,6-hexa-O-octadec-9-en-1-yl-D-glucitol
cas: 97337-88-7
dtxsid: DTXSID10242878
formula: C114H218O6
inchikey: IJHGPLLMPZZQLH-YBCDZZOYSA-N
norman_susdat_id: NS00065811
pubchem_cid: NA
inchi:
InChI=1/C114H218O6/c1-7-13-19-25-31-37-43-49-55-61-67-73-79-85-91-97-103-115-109-111(117-105-99-93-87-81-75-69-63-57-51-45-39-33-27-21-15-9-3)113(119-107-101-95-89-83-77-71-65-59-53-47-41-35-29-23-17-11-5)114(120-108-102-96-90-84-78-72-66-60-54-48-42-36-30-24-18-12-6)112(118-106-100-94-88-82-76-70-64-58-52-46-40-34-28-22-16-10-4)110-116-104-98-92-86-80-74-68-62-56-50-44-38-32-26-20-14-8-2/h49-60,111-114H,7-48,61-110H2,1-6H3

smiles:
O(CCCCCCCCC=CCCCCCCCC)CC(OCCCCCCCCC=CCCCCCCCC)C(OCCCCCCCCC=CCCCCCCCC)C(OCCCCCCCCC=CCCCCCCCC)C(OCCCCCCCCC=CCCCCCCCC)COCCCCCCCCC=CCCCCCCCC


cas: 97337-89-8
formula: C28H18N8O14S2.2Na
inchikey: WXVZKZMMLQSKBX-UHFFFAOYSA-L
norman_susdat_id: NS00093352
name:
Disodium 6-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxy-3-[(2-hydroxy-3-nitro-5-sulphonatophenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C28H18N8O14S2.2Na/c37-22-8-7-19(28(40)24(22)33-29-14-3-5-16(6-4-14)35(41)42)31-30-15-2-1-13-9-23(52(48,49)50)25(26(38)18(13)10-15)34-32-20-11-17(51(45,46)47)12-21(27(20)39)36(43)44;;/h1-12,37-40H,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2

smiles:
[Na+].[Na+].Oc2c(ccc(O)c2N=Nc1ccc(cc1)[N+]([O-])=O)N=Nc4cc5c(O)c(N=Nc3cc(cc([N+]([O-])=O)c3O)S([O-])(=O)=O)c(cc5cc4)S([O-])(=O)=O


cas: 97337-90-1
dtxsid: DTXSID70242879
formula: C48H80N8O4
inchikey: JUOLVQCDOPNYAH-UHFFFAOYSA-N
norman_susdat_id: NS00066630
pubchem_cid: 3024817
smiles: O=C(NC=1C=C(C=C(C1)C)NC(=O)NCCCCCCCCCCCCCCCCCC)NCCCCCCNC(=O)NC=2C=C(C=C(C2)C)NC(=O)NC3CCCCC3
name:
1-[6-[[[[3-[[(cyclohexylamino)carbonyl]amino]-5-methylphenyl]amino]carbonyl]amino]hexyl]-3-[3-methyl-5-[[(octadecylamino)carbonyl]amino]phenyl]urea

inchi:
InChI=1/C48H80N8O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-29-49-45(57)53-41-32-38(2)33-42(36-41)54-46(58)50-30-25-19-20-26-31-51-47(59)55-43-34-39(3)35-44(37-43)56-48(60)52-40-27-22-21-23-28-40/h32-37,40H,4-31H2,1-3H3,(H2,49,53,57)(H2,50,54,58)(H2,51,55,59)(H2,52,56,60)


name: 2-[ethyl[4-[(2-methoxy-4-nitrophenyl)azo]phenyl]amino]ethanol
cas: 97337-91-2
formula: C17H21N4O4
inchikey: ANPZAKZQIACFFU-UHFFFAOYSA-N
norman_susdat_id: NS00066318
pubchem_cid: 3024818
smiles: O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2)N(CC)CCO)C(OC)=C1
inchi:
InChI=1/C17H20N4O4/c1-3-20(10-11-22)14-6-4-13(5-7-14)18-19-16-9-8-15(21(23)24)12-17(16)25-2/h4-9,12,22H,3,10-11H2,1-2H3


name: Tris[2-(octadec-9-enoyloxy)ethyl]ammonium acetate
cas: 97337-94-5
formula: C60H111NO6
inchikey: DJCHKVHHWCAHEH-UHFFFAOYSA-N
norman_susdat_id: NS00065923
pubchem_cid: NA
smiles: O=C([O-])C.O=C(OCC[NH+](CCOC(=O)CCCCCCCC=CCCCCCCCC)CCOC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C60H111NO6.C2H4O2/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-58(62)65-55-52-61(53-56-66-59(63)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)54-57-67-60(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3;1-2(3)4/h25-30H,4-24,31-57H2,1-3H3;1H3,(H,3,4)


name: 2-methoxy-4-nitro-5-(sulphooxy)phenylammonium hydrogen sulphate
cas: 97337-95-6
formula: C7H9N2O7S
inchikey: QUTAKWQOOATIDT-UHFFFAOYSA-M
norman_susdat_id: NS00066319
pubchem_cid: NA
smiles: O=[N+]([O-])C1=CC(OC)=C(C=C1OS(=O)(=O)O)[NH3+].O=S(=O)([O-])[O-]
inchi:
InChI=1/C7H8N2O7S.H2O4S/c1-15-6-3-5(9(10)11)7(2-4(6)8)16-17(12,13)14;1-5(2,3)4/h2-3H,8H2,1H3,(H,12,13,14);(H2,1,2,3,4)/p-1


name: (E)-4-[3-bromo-1-(4-bromophenyl)-1-propenyl]-4'-chloro-1,1'-biphenyl
cas: 97338-00-6
formula: C21H15Br2Cl
inchikey: VWVOZAJMMXTKPT-FYJGNVAPSA-N
norman_susdat_id: NS00093353
smiles: Clc1ccc(cc1)c2ccc(cc2)\C(=C/CBr)\c3ccc(Br)cc3
inchi:
InChI=1/C21H15Br2Cl/c22-14-13-21(18-5-9-19(23)10-6-18)17-3-1-15(2-4-17)16-7-11-20(24)12-8-16/h1-13H,14H2


cas: 97338-02-8
dtxsid: DTXSID60242883
formula: C23H26N2O6
inchikey: UZDFVDMFIZDHRK-FQEVSTJZSA-N
norman_susdat_id: NS00065812
pubchem_cid: 44145399
smiles: O=C(OCC)C(N1C(=O)C=2C=CC=CC2C1=O)CC3=CC=C(C=C3)N(CCO)CCO
name:
Ethyl (S)-a-[[4-[bis(2-hydroxyethyl)amino]phenyl]methyl]-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetate

inchi:
InChI=1/C23H26N2O6/c1-2-31-23(30)20(25-21(28)18-5-3-4-6-19(18)22(25)29)15-16-7-9-17(10-8-16)24(11-13-26)12-14-27/h3-10,20,26-27H,2,11-15H2,1H3


name: Ethyl (S)-a-[(4-aminophenyl)methyl]-1,3-dihydro-1,3-dioxo-2H-isoindole-2-acetate monohydrochloride
cas: 97338-03-9
formula: C19H18N2O4.ClH
inchikey: ZMHKWNAMOOTOSM-NTISSMGPSA-N
norman_susdat_id: NS00092908
smiles: Cl.CCOC(=O)[C@H](Cc1ccc(N)cc1)N2C(=O)c3ccccc3C2=O
inchi:
InChI=1/C19H18N2O4.ClH/c1-2-25-19(24)16(11-12-7-9-13(20)10-8-12)21-17(22)14-5-3-4-6-15(14)18(21)23;/h3-10,16H,2,11,20H2,1H3;1H


name: 2-[formyl[2-(formyloxy)ethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate
cas: 97338-04-0
formula: C24H41NO5
inchikey: VPKGTXRSZZNYTF-HZJYTTRNSA-N
norman_susdat_id: NS00066631
pubchem_cid: 53424116
smiles: O=COCCN(C=O)CCOC(=O)CCCCCCCC=CCC=CCCCCC
inchi:
InChI=1/C24H41NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)30-21-19-25(22-26)18-20-29-23-27/h6-7,9-10,22-23H,2-5,8,11-21H2,1H3


name: (2-hydroxyethyl)methylbis[2-(oleoyloxy)ethyl]ammonium methyl sulphate
cas: 97338-06-2
formula: C43H82NO5
inchikey: LEEPBJHNOBBYOU-YIQDKWKASA-M
norman_susdat_id: NS00065813
pubchem_cid: 9832288
smiles: O=C(OCC[N+](C)(CCO)CCOC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC.O=S(=O)([O-])OC
inchi:
InChI=1/C43H82NO5.CH4O4S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-42(46)48-40-37-44(3,36-39-45)38-41-49-43(47)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;1-5-6(2,3)4/h18-21,45H,4-17,22-41H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


name: (Z)-[bis(2-hydroxyethyl)]methyl[2-[(1-oxooctadec-9-enyl)oxy]ethyl]ammonium methyl sulphate
cas: 97338-08-4
formula: C25H49NO4
inchikey: SRQRGZTUSNSZOT-KVVVOXFISA-N
norman_susdat_id: NS00066336
pubchem_cid: NA
smiles: O=C(OCC[NH2+]C(CCO)CCO)CCCCCCCC=CCCCCCCCC.O=S(=O)([O-])OC
inchi:
InChI=1/C25H49NO4.CH4O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(29)30-23-20-26-24(18-21-27)19-22-28;1-5-6(2,3)4/h9-10,24,26-28H,2-8,11-23H2,1H3;1H3,(H,2,3,4)


name: Methyltris[2-oleoylethyl]ammonium methyl sulphate
cas: 97338-10-8
formula: C61H114NO3
inchikey: OJTWOIVBODOQTJ-PZSMAEAQSA-M
norman_susdat_id: NS00066337
pubchem_cid: 20838001
inchi:
InChI=1/C61H114NO3.CH4O4S/c1-5-8-11-14-17-20-23-26-29-32-35-38-41-44-47-50-59(63)53-56-62(4,57-54-60(64)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-2)58-55-61(65)52-49-46-43-40-37-34-31-28-25-22-19-16-13-10-7-3;1-5-6(2,3)4/h26-31H,5-25,32-58H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1

smiles:
O=C(CCCCCCCC=CCCCCCCCC)CC[N+](C)(CCC(=O)CCCCCCCC=CCCCCCCCC)CCC(=O)CCCCCCCC=CCCCCCCCC.O=S(=O)([O-])OC


name: OCTACOSANYL GLYCOL
cas: 97338-11-9
chebiid: CHEBI:84961
chemspiderid: 2290666
formula: C28H58O2
inchikey: HEEAULSOEVDNKQ-UHFFFAOYSA-N
norman_susdat_id: NS00013911
pubchem_cid: 3024829
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCC(O)CO
inchi:
InChI=1S/C28H58O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28(30)27-29/h28-30H,2-27H2,1H3


name: HEXACOSYL GLYCOL
cas: 97338-12-0
chebiid: CHEBI:84960
chemspiderid: 2290667
formula: C26H54O2
inchikey: IFWQSSUUCVSCSK-UHFFFAOYSA-N
norman_susdat_id: NS00013739
pubchem_cid: 3024830
smiles: CCCCCCCCCCCCCCCCCCCCCCCCC(O)CO
inchi:
InChI=1S/C26H54O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(28)25-27/h26-28H,2-25H2,1H3


name: Tetracosane-1,2-diol
cas: 97338-13-1
chebiid: CHEBI:84959
dtxsid: DTXSID30913972
formula: C24H50O2
inchikey: PTSXVUICYWATQI-UHFFFAOYSA-N
norman_susdat_id: NS00065814
pubchem_cid: 3086441
smiles: OCC(O)CCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H50O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(26)23-25/h24-26H,2-23H2,1H3


name: 6,6'-(1,3,5-triazine-2,4-diyldiimino)bis[10-bromonaphth[2,3-c]acridine-5,8,14(13H)-trione]
cas: 97338-14-2
dtxsid: DTXSID80242885
formula: C45H21Br2N7O6
inchikey: HBDKPQIXCAYHOT-UHFFFAOYSA-N
norman_susdat_id: NS00066338
pubchem_cid: NA
inchi:
InChI=1/C45H21Br2N7O6/c46-18-9-11-28-24(13-18)38(55)26-15-30(32-34(36(26)50-28)42(59)22-7-3-1-5-20(22)40(32)57)52-44-48-17-49-45(54-44)53-31-16-27-37(51-29-12-10-19(47)14-25(29)39(27)56)35-33(31)41(58)21-6-2-4-8-23(21)43(35)60/h1-17H,(H,50,55)(H,51,56)(H2,48,49,52,53,54)

smiles:
O=C1C2=CC(Br)=CC=C2NC=3C1=CC(NC4=NC=NC(=N4)NC=5C=C6C(=O)C7=CC(Br)=CC=C7NC6=C8C(=O)C=9C=CC=CC9C(=O)C58)=C%10C(=O)C=%11C=CC=CC%11C(=O)C3%10


cas: 97338-15-3
dtxsid: DTXSID40242886
formula: C45H20Br2ClN7O6
inchikey: PYVRCLXPUGKHGC-UHFFFAOYSA-N
norman_susdat_id: NS00065815
pubchem_cid: NA
name:
6,6'-[(6-chloro-1,3,5-triazine-2,4-diyl)diimino]bis[10-bromonaphth[2,3-c]acridine-5,8,14(13H)-trione]

inchi:
InChI=1/C45H20Br2ClN7O6/c46-17-9-11-27-23(13-17)37(56)25-15-29(31-33(35(25)49-27)41(60)21-7-3-1-5-19(21)39(31)58)51-44-53-43(48)54-45(55-44)52-30-16-26-36(50-28-12-10-18(47)14-24(28)38(26)57)34-32(30)40(59)20-6-2-4-8-22(20)42(34)61/h1-16H,(H,49,56)(H,50,57)(H2,51,52,53,54,55)

smiles:
O=C1C2=CC(Br)=CC=C2NC=3C1=CC(NC4=NC(Cl)=NC(=N4)NC=5C=C6C(=O)C7=CC(Br)=CC=C7NC6=C8C(=O)C=9C=CC=CC9C(=O)C58)=C%10C(=O)C=%11C=CC=CC%11C(=O)C3%10


cas: 97338-16-4
formula: C23H24ClN2.HO4S
inchikey: PYRPWDKDUBWUHI-UHFFFAOYSA-L
norman_susdat_id: NS00092984
smiles: CN(C)c1ccc(cc1)C(=C2C=CC(=[N+](C)C)C=C2)c3ccccc3Cl.[O-]S(=O)(=O)[O-]
name:
[4-[(2-chlorophenyl)[4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium hydrogen sulphate

inchi:
InChI=1/C23H24ClN2.H2O4S/c1-25(2)19-13-9-17(10-14-19)23(21-7-5-6-8-22(21)24)18-11-15-20(16-12-18)26(3)4;1-5(2,3)4/h5-16H,1-4H3;(H2,1,2,3,4)/q+1;/p-2


name: Sodium 6-amino-5-[[3-[[(2-ethylphenyl)amino]sulphonyl]-4-methylphenyl]azo]naphthalene-2-sulphonate
cas: 97358-57-1
formula: C25H24N4O5S2
inchikey: NHRIRNIOGRYFRS-UHFFFAOYSA-M
norman_susdat_id: NS00066674
pubchem_cid: 3024834
smiles: [Na+].O=S(=O)([O-])C1=CC=C2C(C=CC(N)=C2N=NC3=CC=C(C(=C3)S(=O)(=O)NC=4C=CC=CC4CC)C)=C1
inchi:
InChI=1/C25H24N4O5S2.Na/c1-3-17-6-4-5-7-23(17)29-35(30,31)24-15-19(10-8-16(24)2)27-28-25-21-12-11-20(36(32,33)34)14-18(21)9-13-22(25)26;/h4-15,29H,3,26H2,1-2H3,(H,32,33,34);/q;+1/p-1


name: N-[4-(2-fluorobenzoyl)-1,3-dimethyl-1H-pyrazol-5-yl]-N-methylbenzamide
cas: 97358-58-2
dtxsid: DTXSID10242893
formula: C20H18FN3O2
inchikey: LQUDTYYBJCQAJE-UHFFFAOYSA-N
norman_susdat_id: NS00066675
pubchem_cid: 3024835
smiles: O=C(C=1C=CC=CC1F)C=2C(=NN(C2N(C(=O)C=3C=CC=CC3)C)C)C
inchi:
InChI=1/C20H18FN3O2/c1-13-17(18(25)15-11-7-8-12-16(15)21)19(24(3)22-13)23(2)20(26)14-9-5-4-6-10-14/h4-12H,1-3H3


name: 3-(3-ethyl-4-piperidyl)-1-[6-[(1-methylheptyl)oxy]-3-quinolyl]propan-1-one monohydrochloride
cas: 97358-59-3
dtxsid: DTXSID60913960
formula: C27H40N2O2
inchikey: AGWXHINPZOQOJD-UHFFFAOYSA-N
norman_susdat_id: NS00066409
pubchem_cid: 3024837
smiles: Cl.O=C(C1=CN=C2C=CC(OC(C)CCCCCC)=CC2=C1)CCC3CCNCC3CC
inchi:
InChI=1/C27H40N2O2.ClH/c1-4-6-7-8-9-20(3)31-25-11-12-26-23(17-25)16-24(19-29-26)27(30)13-10-22-14-15-28-18-21(22)5-2;/h11-12,16-17,19-22,28H,4-10,13-15,18H2,1-3H3;1H


name: (2-hydroxyethyl)bis[2-(octadec-9-enoyloxy)ethyl]ammonium acetate
cas: 97373-00-7
formula: C42H79NO5.C2H4O2
inchikey: YPTQHTMYQYODEQ-UHFFFAOYSA-N
norman_susdat_id: NS00093384
smiles: O=C(OCC[NH+](CCO)CCOC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC.[O-]C(C)=O
inchi:
InChI=1/C42H79NO5.C2H4O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41(45)47-39-36-43(35-38-44)37-40-48-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;1-2(3)4/h17-20,44H,3-16,21-40H2,1-2H3;1H3,(H,3,4)


name: 4-Deacetylneosolaniol
cas: 97373-16-5
chebiid: CHEBI:169236
dtxsid: DTXSID30996346
formula: C17H24O7
inchikey: FCLYQYOJLQDQNA-BNWDXEGFSA-N
norman_susdat_id: NS00097460
smiles: CC1=C[C@@H]2[C@](C[C@@H]1O)([C@]3([C@@H]([C@H]([C@H]([C@@]34CO4)O2)O)O)C)COC(=O)C
inchi:
InChI=1S/C17H24O7/c1-8-4-11-16(5-10(8)19,6-22-9(2)18)15(3)13(21)12(20)14(24-11)17(15)7-23-17/h4,10-14,19-21H,5-7H2,1-3H3/t10-,11+,12+,13+,14+,15+,16+,17-/m0/s1


cas: 97375-12-7
dtxsid: DTXSID10242898
formula: C30H21Cl2N5O9S3
inchikey: OQMVWDRWVIWFMQ-UHFFFAOYSA-M
norman_susdat_id: NS00065948
pubchem_cid: 3024840
name:
Sodium 1-amino-4-[4-[[(2,3-dichloro-6-quinoxalinyl)sulphonyl]sulphamoyl]-2,6-dimethylphenyl]amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C30H21Cl2N5O9S3.Na/c1-13-9-16(48(42,43)37-47(40,41)15-7-8-19-20(11-15)36-30(32)29(31)35-19)10-14(2)26(13)34-21-12-22(49(44,45)46)25(33)24-23(21)27(38)17-5-3-4-6-18(17)28(24)39;/h3-12,34,37H,33H2,1-2H3,(H,44,45,46);/q;+1/p-1

smiles:
[Na+].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)[O-])NC=4C(=CC(=CC4C)S(=O)(=O)NS(=O)(=O)C=5C=CC6=NC(Cl)=C(Cl)N=C6C5)C


cas: 97375-13-8
dtxsid: DTXSID70242899
formula: C30H21Cl2N5O9S3
inchikey: ACUPDXXDRCXYOM-UHFFFAOYSA-M
norman_susdat_id: NS00065968
pubchem_cid: 3024842
name:
Sodium 1-amino-4-[3-[[(2,3-dichloro-6-quinoxalinyl)sulphonyl]sulphamoyl]-2,6-dimethylphenyl]amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate

inchi:
InChI=1/C30H21Cl2N5O9S3.Na/c1-13-7-10-21(48(42,43)37-47(40,41)15-8-9-18-19(11-15)36-30(32)29(31)35-18)14(2)26(13)34-20-12-22(49(44,45)46)25(33)24-23(20)27(38)16-5-3-4-6-17(16)28(24)39;/h3-12,34,37H,33H2,1-2H3,(H,44,45,46);/q;+1/p-1

smiles:
[Na+].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)[O-])NC=4C(=CC=C(C4C)S(=O)(=O)NS(=O)(=O)C=5C=CC6=NC(Cl)=C(Cl)N=C6C5)C


name: 4-(1-methyl-2-phenylethyl)-N-phenylaniline
cas: 97375-16-1
dtxsid: DTXSID90913958
formula: C21H21N
inchikey: KCCZEHRZIJVJCU-UHFFFAOYSA-N
norman_susdat_id: NS00065971
pubchem_cid: 3024845
smiles: C=1C=CC(=CC1)NC2=CC=C(C=C2)C(C)CC=3C=CC=CC3
inchi:
InChI=1/C21H21N/c1-17(16-18-8-4-2-5-9-18)19-12-14-21(15-13-19)22-20-10-6-3-7-11-20/h2-15,17,22H,16H2,1H3


name: a-methyl-N,N-bis[4-(1-methyl-2-phenylethyl)phenyl]phenethylamine
cas: 97375-17-2
dtxsid: DTXSID30913957
formula: C39H41N
inchikey: OJNZEVPXRZRZID-UHFFFAOYSA-N
norman_susdat_id: NS00066410
pubchem_cid: 44148339
smiles: C=1C=CC(=CC1)CC(C2=CC=C(C=C2)N(C3=CC=C(C=C3)C(C)CC=4C=CC=CC4)C(C)CC=5C=CC=CC5)C
inchi:
InChI=1/C39H41N/c1-30(27-33-13-7-4-8-14-33)36-19-23-38(24-20-36)40(32(3)29-35-17-11-6-12-18-35)39-25-21-37(22-26-39)31(2)28-34-15-9-5-10-16-34/h4-26,30-32H,27-29H2,1-3H3


cas: 97375-18-3
chemspiderid: 57523734
dtxsid: DTXSID80242901
formula: C34H34N2O8S2
inchikey: JOFUQLCGUYJNKU-UHFFFAOYSA-L
norman_susdat_id: NS00022914
pubchem_cid: 44149398
name:
2,2'-((9,10-Dihydro-9,10-dioxo-1,4-anthrylene)diimino)bis(5-tert-butylbenzenesulphonic) acid, sodium salt

inchi:
InChI=1S/C34H34N2O8S2/c1-33(2,3)19-11-13-23(27(17-19)45(39,40)41)35-25-15-16-26(30-29(25)31(37)21-9-7-8-10-22(21)32(30)38)36-24-14-12-20(34(4,5)6)18-28(24)46(42,43)44/h7-18,35-36H,1-6H3,(H,39,40,41)(H,42,43,44)

smiles:
[Na+].[Na+].CC(C)(C)C1=CC(=C(NC2=C3C(=O)C4=CC=CC=C4C(=O)C3=C(NC3=C(C=C(C=C3)C(C)(C)C)S([O-])(=O)=O)C=C2)C=C1)S([O-])(=O)=O


name: N-[2-(dimethylamino)ethyl]stearamide monohydrochloride
cas: 97375-19-4
dtxsid: DTXSID40242902
formula: C22H46N2O
inchikey: QVROVKYWXDCPTN-UHFFFAOYSA-N
norman_susdat_id: NS00066411
pubchem_cid: 3024847
smiles: Cl.O=C(NCCN(C)C)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C22H46N2O.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24(2)3;/h4-21H2,1-3H3,(H,23,25);1H


name: (E)-3-(4'-bromo[1,1'-biphenyl]-4-yl)-3-(4-chlorophenyl)-N,N-dimethylallylamine hydrochloride
cas: 97392-66-0
formula: C23H21BrClN
inchikey: ADGYXBJHJJGLRM-BUGNPGDCSA-N
norman_susdat_id: NS00065972
pubchem_cid: 44152908
smiles: Cl.ClC1=CC=C(C=C1)C(=CCN(C)C)C2=CC=C(C=C2)C=3C=CC(Br)=CC3
inchi:
InChI=1/C23H21BrClN.ClH/c1-26(2)16-15-23(20-9-13-22(25)14-10-20)19-5-3-17(4-6-19)18-7-11-21(24)12-8-18;/h3-15H,16H2,1-2H3;1H


name: 4-[[(6-aminohexyl)amino]carbonyl]benzoic acid
cas: 97392-67-1
dtxsid: DTXSID30242916
formula: C14H20N2O3
inchikey: AMJIYNTULNEVBG-UHFFFAOYSA-N
norman_susdat_id: NS00066677
pubchem_cid: 3024859
smiles: O=C(O)C1=CC=C(C=C1)C(=O)NCCCCCCN
inchi:
InChI=1/C14H20N2O3/c15-9-3-1-2-4-10-16-13(17)11-5-7-12(8-6-11)14(18)19/h5-8H,1-4,9-10,15H2,(H,16,17)(H,18,19)


name: Diphenylpentadecane
cas: 97392-70-6
dtxsid: DTXSID10242919
formula: C27H40
inchikey: AEUSNXZAJFBBMS-UHFFFAOYSA-N
norman_susdat_id: NS00066416
pubchem_cid: 3086444
smiles: C=1C=CC(=CC1)C(C=2C=CC=CC2)CCCCCCCCCCCCCC
inchi:
InChI=1/C27H40/c1-2-3-4-5-6-7-8-9-10-11-12-19-24-27(25-20-15-13-16-21-25)26-22-17-14-18-23-26/h13-18,20-23,27H,2-12,19,24H2,1H3


name: Diphenyltetradecane
cas: 97392-71-7
dtxsid: DTXSID20242920
formula: C26H38
inchikey: RHISRDQWNQEBBY-UHFFFAOYSA-N
norman_susdat_id: NS00066678
pubchem_cid: 521601
smiles: C=1C=CC(=CC1)C(C=2C=CC=CC2)CCCCCCCCCCCCC
inchi:
InChI=1/C26H38/c1-2-3-4-5-6-7-8-9-10-11-18-23-26(24-19-14-12-15-20-24)25-21-16-13-17-22-25/h12-17,19-22,26H,2-11,18,23H2,1H3


name: Diphenyldecane
cas: 97392-72-8
dtxsid: DTXSID80242921
formula: C22H30
inchikey: HSTCJLDQVIIDKF-UHFFFAOYSA-N
norman_susdat_id: NS00066679
pubchem_cid: 3086445
smiles: C=1C=CC(=CC1)C(C=2C=CC=CC2)CCCCCCCCC
inchi:
InChI=1/C22H30/c1-2-3-4-5-6-7-14-19-22(20-15-10-8-11-16-20)21-17-12-9-13-18-21/h8-13,15-18,22H,2-7,14,19H2,1H3


name: Diphenyltridecane
cas: 97392-73-9
dtxsid: DTXSID40242922
formula: C25H36
inchikey: REGVVWIVILJTIW-UHFFFAOYSA-N
norman_susdat_id: NS00065973
pubchem_cid: 3086446
smiles: C=1C=CC(=CC1)C(C=2C=CC=CC2)CCCCCCCCCCCC
inchi:
InChI=1/C25H36/c1-2-3-4-5-6-7-8-9-10-17-22-25(23-18-13-11-14-19-23)24-20-15-12-16-21-24/h11-16,18-21,25H,2-10,17,22H2,1H3


name: Diphenylundecane
cas: 97392-74-0
dtxsid: DTXSID00242923
formula: C23H32
inchikey: HUMMQDLHLVLHCE-UHFFFAOYSA-N
norman_susdat_id: NS00065974
pubchem_cid: 3086447
smiles: C=1C=CC(=CC1)C(C=2C=CC=CC2)CCCCCCCCCC
inchi:
InChI=1/C23H32/c1-2-3-4-5-6-7-8-15-20-23(21-16-11-9-12-17-21)22-18-13-10-14-19-22/h9-14,16-19,23H,2-8,15,20H2,1H3


name: Sodium bis(2-ethylhexyl) methyl-2-(sulphonatooxy)ethyl phosphate
cas: 97392-77-3
dtxsid: DTXSID20913946
formula: C19H41O8PS
inchikey: QBSFNMHLFDGIAQ-UHFFFAOYSA-M
norman_susdat_id: NS00066124
pubchem_cid: NA
smiles: [Na+].O=P(OCC(CC)CCCC)(OCC(CC)CCCC)OC(C)COS(=O)(=O)[O-]
inchi:
InChI=1/C19H41O8PS.Na/c1-6-10-12-18(8-3)15-24-28(20,25-16-19(9-4)13-11-7-2)27-17(5)14-26-29(21,22)23;/h17-19H,6-16H2,1-5H3,(H,21,22,23);/q;+1/p-1


name: 1-methoxy-4-(4-propylcyclohexyl)cyclohexane
cas: 97398-80-6
chemspiderid: 484087
dtxsid: DTXSID70339536
formula: C16H30O1
inchikey: JMOYCPSDEMHCFG-UHFFFAOYSA-N
norman_susdat_id: NS00040514
pubchem_cid: 556851
smiles: CCCC1CCC(CC1)C1CCC(CC1)OC
inchi:
InChI=1S/C16H30O/c1-3-4-13-5-7-14(8-6-13)15-9-11-16(17-2)12-10-15/h13-16H,3-12H2,1-2H3/t13-,14+,15-,16-


name: 16-a,17-a-epoxy-3-ß-hydroxypregn-5-en-20-one
cas: 974-23-2
chebiid: CHEBI:145045
dtxsid: DTXSID80913942
formula: C21H30O3
inchikey: UQVIXFCYKBWZPJ-XXHSLLPRSA-N
norman_susdat_id: NS00042113
pubchem_cid: 94199
smiles: O=C(C)C12OC2CC3C4CC=C5CC(O)CCC5(C)C4CCC31C
inchi:
InChI=1/C21H30O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h4,14-18,23H,5-11H2,1-3H3


name: 8-benzyl-1-phenyl-1,3,8-triazaspiro[4,5]decan-4-one
cas: 974-41-4
dtxsid: DTXSID60242929
formula: C20H23N3O
inchikey: QMECPMOWMNRLSL-UHFFFAOYSA-N
norman_susdat_id: NS00042552
pubchem_cid: 70419
smiles: O=C1NCN(C=2C=CC=CC2)C13CCN(CC=4C=CC=CC4)CC3
inchi:
InChI=1/C20H23N3O/c24-19-20(23(16-21-19)18-9-5-2-6-10-18)11-13-22(14-12-20)15-17-7-3-1-4-8-17/h1-10H,11-16H2,(H,21,24)


cas: 97403-76-4
formula: C19H21N5O10S3
inchikey: TWSPAFSLXUXXNH-UHFFFAOYSA-L
norman_susdat_id: NS00065990
pubchem_cid: 11971417
smiles: [Na+].[Na+].O=S(=O)([O-])OCCS(=O)(=O)C1=CC=C(OC)C(N=NC2C(=N)N(N=C2C)C3=CC=C(C=C3)S(=O)(=O)[O-])=C1
name:
Disodium p-[4,5-dihydro-5-imino-4-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-3-methyl-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C19H21N5O10S3.2Na/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;;/h3-8,11,18,20H,9-10H2,1-2H3,(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2


name: 1,3,3-trimethyl-2-[[methyl(p-tolyl)hydrazono]methyl]-3H-indolium hydroxide
cas: 97403-89-9
formula: C20H24N3.HO
inchikey: WWDCNOAATKSEJN-UHFFFAOYSA-M
norman_susdat_id: NS00093207
smiles: [OH-].Cc1ccc(cc1)N(C)N=C\C3=[N+](/C)c2ccccc2C3(C)C
inchi:
InChI=1/C20H24N3.H2O/c1-15-10-12-16(13-11-15)23(5)21-14-19-20(2,3)17-8-6-7-9-18(17)22(19)4;/h6-14H,1-5H3;1H2/q+1;/p-1


name: 1-isobutyl 9-(sulphooxy)octadecanoate, compound with 2-aminoethanol (1:1)
cas: 97403-97-9
dtxsid: DTXSID10913935
formula: C22H44O6S
inchikey: SXVNWPOKJREGMW-UHFFFAOYSA-N
norman_susdat_id: NS00066051
pubchem_cid: 44153126
smiles: O=C(OCC(C)C)CCCCCCCC(OS(=O)(=O)O)CCCCCCCCC.OCCN
inchi:
InChI=1/C22H44O6S.C2H7NO/c1-4-5-6-7-8-10-13-16-21(28-29(24,25)26)17-14-11-9-12-15-18-22(23)27-19-20(2)3;3-1-2-4/h20-21H,4-19H2,1-3H3,(H,24,25,26);4H,1-3H2


name: Sodium 1-(2-methylpropyl) 9-(sulphooxy)octadecanoate
cas: 97403-98-0
formula: C22H44O6S.Na
inchikey: VKEMWFFAOFSIJU-UHFFFAOYSA-N
norman_susdat_id: NS00093371
smiles: [Na+].CCCCCCCCCC(CCCCCCCC(=O)OCC(C)C)OS(=O)(=O)O
inchi:
InChI=1/C22H44O6S.Na/c1-4-5-6-7-8-10-13-16-21(28-29(24,25)26)17-14-11-9-12-15-18-22(23)27-19-20(2)3;/h20-21H,4-19H2,1-3H3,(H,24,25,26);/q;+1


name: Methyl acetate, compound with N,N-diethyl-4-[(4-methyl-4H-1,2,4-triazol-3-yl)azo]aniline (1:1)
cas: 97404-01-8
formula: C13H18N6.C3H6O2
inchikey: YWEYCJCTVIMUKD-UHFFFAOYSA-N
norman_susdat_id: NS00093208
smiles: Cn2cnnc2N=Nc1ccc(cc1)N(CC)CC.CC(=O)OC
inchi:
InChI=1/C13H18N6.C3H6O2/c1-4-19(5-2)12-8-6-11(7-9-12)15-17-13-16-14-10-18(13)3;1-3(4)5-2/h6-10H,4-5H2,1-3H3;1-2H3


cas: 97404-03-0
formula: C29H24N7O11S3
inchikey: GVOJUFDHZABFRL-UHFFFAOYSA-L
norman_susdat_id: NS00066649
pubchem_cid: 135755778
name:
Disodium 4-amino-5-hydroxy-6-[[4-methyl-3-[(phenylamino)sulphonyl]phenyl]azo]-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C29H23N7O11S3.2Na/c1-16-7-8-20(15-22(16)48(40,41)35-19-5-3-2-4-6-19)32-34-28-24(50(45,46)47)14-17-13-23(49(42,43)44)27(26(30)25(17)29(28)37)33-31-18-9-11-21(12-10-18)36(38)39;;/h2-15,35,37H,30H2,1H3,(H,42,43,44)(H,45,46,47);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC=2C(N)=C3C(C=C(C(N=NC4=CC=C(C(=C4)S(=O)(=O)NC=5C=CC=CC5)C)=C3O)S(=O)(=O)[O-])=CC2S(=O)(=O)[O-])C=C1


name: Sodium 2,5-dichloro-4-[(2-hydroxy-1-naphthyl)azo]benzenesulphonate
cas: 97404-04-1
formula: C16H10Cl2N2O4S
inchikey: FJISWYRUJFALJF-UHFFFAOYSA-M
norman_susdat_id: NS00066052
pubchem_cid: 3024878
smiles: [Na+].O=S(=O)([O-])C=1C=C(Cl)C(N=NC2=C(O)C=CC=3C=CC=CC32)=CC1Cl
inchi:
InChI=1/C16H10Cl2N2O4S.Na/c17-11-8-15(25(22,23)24)12(18)7-13(11)19-20-16-10-4-2-1-3-9(10)5-6-14(16)21;/h1-8,21H,(H,22,23,24);/q;+1/p-1


name: Disodium 4-[[2,4-dihydroxy-3,5-bis(phenylazo)phenyl]azo]-5-hydroxynaphthalene-2,7-disulphonate
cas: 97404-05-2
formula: C28H20N6O9S2
inchikey: XNIGBSIBNLHRCG-UHFFFAOYSA-L
norman_susdat_id: NS00066386
pubchem_cid: NA
inchi:
InChI=1/C28H20N6O9S2.2Na/c35-24-14-20(45(41,42)43)12-16-11-19(44(38,39)40)13-21(25(16)24)31-33-23-15-22(32-29-17-7-3-1-4-8-17)27(36)26(28(23)37)34-30-18-9-5-2-6-10-18;;/h1-15,35-37H,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=C(O)C2=C(N=NC3=CC(N=NC=4C=CC=CC4)=C(O)C(N=NC=5C=CC=CC5)=C3O)C=C(C=C2C1)S(=O)(=O)[O-]


name: 2-(9-octadecenylamino)ethanol hydrochloride
cas: 97404-06-3
formula: C20H41NO.ClH
inchikey: OSCLDCSJMUFSMQ-UHFFFAOYSA-N
norman_susdat_id: NS00093214
smiles: Cl.CCCCCCCCC=CCCCCCCCCNCCO
inchi:
InChI=1/C20H41NO.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19-20-22;/h9-10,21-22H,2-8,11-20H2,1H3;1H


name: 23-methyl-3,6,9,12,15-pentaoxatetracosan-1-ol
cas: 97404-08-5
formula: C20H42O6
inchikey: PUJVHDGLFNDWDZ-UHFFFAOYSA-N
norman_susdat_id: NS00066650
pubchem_cid: 105319
smiles: OCCOCCOCCOCCOCCOCCCCCCCC(C)C
inchi:
InChI=1/C20H42O6/c1-20(2)8-6-4-3-5-7-10-22-12-14-24-16-18-26-19-17-25-15-13-23-11-9-21/h20-21H,3-19H2,1-2H3


name: Dipotassium 2,5-dimethyl-3,6,9,12,15,18,21,24-octaoxahexatriacontan-1-yl dihydrogen phosphate
cas: 97404-09-6
formula: C30H63O12P
inchikey: IHCCQJJILSMHLK-UHFFFAOYSA-N
norman_susdat_id: NS00066053
pubchem_cid: NA
smiles: [K+].[K+].O=P(O)(O)OCC(OCC(OCCOCCOCCOCCOCCOCCOCCCCCCCCCCCC)C)C
inchi:
InChI=1/C30H63O12P.2K/c1-4-5-6-7-8-9-10-11-12-13-14-34-15-16-35-17-18-36-19-20-37-21-22-38-23-24-39-25-26-40-29(2)27-41-30(3)28-42-43(31,32)33;;/h29-30H,4-28H2,1-3H3,(H2,31,32,33);;/q;2*+1


name: Dipotassium 29-methyl-3,6,9,12,15,18-hexaoxatriacontyl phosphate
cas: 97404-10-9
dtxsid: DTXSID20242945
formula: C25H53O10P
inchikey: SSXBXUNMIKCYHB-UHFFFAOYSA-L
norman_susdat_id: NS00066392
pubchem_cid: 44152751
smiles: [K+].[K+].O=P([O-])([O-])OCCOCCOCCOCCOCCOCCOCCCCCCCCCCC(C)C
inchi:
InChI=1/C25H53O10P.2K/c1-25(2)11-9-7-5-3-4-6-8-10-12-29-13-14-30-15-16-31-17-18-32-19-20-33-21-22-34-23-24-35-36(26,27)28;;/h25H,3-24H2,1-2H3,(H2,26,27,28);;/q;2*+1/p-2


cas: 97404-12-1
formula: C30H23N11O10S2
inchikey: BVNFWSKRSMCPPK-UHFFFAOYSA-N
norman_susdat_id: NS00092981
name:
4-[[2,4-diamino-5-[(3-sulphophenyl)azo]phenyl]azo]-2-[[2,6-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]benzenesulphonic acid

inchi:
InChI=1/C30H23N11O10S2/c31-21-14-22(32)25(15-24(21)37-34-17-2-1-3-20(12-17)52(46,47)48)38-35-18-6-11-28(53(49,50)51)26(13-18)39-40-29-27(42)10-9-23(30(29)43)36-33-16-4-7-19(8-5-16)41(44)45/h1-15,42-43H,31-32H2,(H,46,47,48)(H,49,50,51)

smiles:
Oc4c(ccc(O)c4N=Nc3cc(N=Nc2cc(N=Nc1cccc(c1)S(O)(=O)=O)c(N)cc2N)ccc3S(O)(=O)=O)N=Nc5ccc(cc5)[N+]([O-])=O


name: 1-[(2-aminoethyl)amino]anthraquinone, monohydrochloride
cas: 97404-13-2
dtxsid: DTXSID40242947
formula: C16H14N2O2
inchikey: WYTHYWAAQAHLGD-UHFFFAOYSA-N
norman_susdat_id: NS00066651
pubchem_cid: 14320097
smiles: Cl.O=C1C=2C=CC=CC2C(=O)C=3C(=CC=CC13)NCCN
inchi:
InChI=1/C16H14N2O2.ClH/c17-8-9-18-13-7-3-6-12-14(13)16(20)11-5-2-1-4-10(11)15(12)19;/h1-7,18H,8-9,17H2;1H


name: 1-[(3-aminopropyl)amino]anthraquinone, monohydrochloride
cas: 97404-14-3
dtxsid: DTXSID00242948
formula: C17H16N2O2
inchikey: MXSLXRJZWUIWCV-UHFFFAOYSA-N
norman_susdat_id: NS00066054
pubchem_cid: 14320098
smiles: Cl.O=C1C=2C=CC=CC2C(=O)C=3C(=CC=CC13)NCCCN
inchi:
InChI=1/C17H16N2O2.ClH/c18-9-4-10-19-14-8-3-7-13-15(14)17(21)12-6-2-1-5-11(12)16(13)20;/h1-3,5-8,19H,4,9-10,18H2;1H


name: 3,8-dichloro-5,10-bis[(3-chlorophenyl)amino]pyrene-1,6-dione
cas: 97404-17-6
dtxsid: DTXSID70242950
formula: C28H14Cl4N2O2
inchikey: WTZQBZUVIDGHKE-UHFFFAOYSA-N
norman_susdat_id: NS00065914
pubchem_cid: NA
smiles: O=C1C=C(Cl)C=2C=C(NC=3C=CC=C(Cl)C3)C=4C(=O)C=C(Cl)C5=CC(NC=6C=CC=C(Cl)C6)=C1C2C54
inchi:
InChI=1/C28H14Cl4N2O2/c29-13-3-1-5-15(7-13)33-21-9-17-19(31)12-24(36)28-22(34-16-6-2-4-14(30)8-16)10-18-20(32)11-23(35)27(21)25(18)26(17)28/h1-12,33-34H


name: 2,12-dichloro-3-ethoxybisbenzimidazo[2,1-b:2',1'-i]benzo[lmn][3,8]phenanthroline-8,17-dione
cas: 97404-18-7
dtxsid: DTXSID30242951
formula: C28H14Cl2N4O3
inchikey: XAFSIKGUFJICTC-UHFFFAOYSA-N
norman_susdat_id: NS00066079
pubchem_cid: 71300794
smiles: O=C1C2=CC=C3C4=NC=5C=C(OCC)C(Cl)=CC5N4C(=O)C=6C=CC(C7=NC8=CC(Cl)=CC=C8N17)=C2C63
inchi:
InChI=1/C28H14Cl2N4O3/c1-2-37-22-11-19-21(10-17(22)30)34-26(32-19)14-5-6-15-23-13(4-7-16(24(14)23)28(34)36)25-31-18-9-12(29)3-8-20(18)33(25)27(15)35/h3-11H,2H2,1H3


name: 3,13-dichloro-2-ethoxybisbenzimidazo[2,1-b:1',2'-j]benzo[lmn][3,8]phenanthroline-6,9-dione
cas: 97404-19-8
dtxsid: DTXSID90242952
formula: C28H14Cl2N4O3
inchikey: ZURDLFKEZAKWSC-UHFFFAOYSA-N
norman_susdat_id: NS00065915
pubchem_cid: 71300795
smiles: O=C1C2=CC=C3C(=O)N4C(=NC=5C=C(OCC)C(Cl)=CC54)C=6C=CC(C7=NC8=CC(Cl)=CC=C8N17)=C2C36
inchi:
InChI=1/C28H14Cl2N4O3/c1-2-37-22-11-19-21(10-17(22)30)34-26(32-19)14-5-4-13-23-15(6-7-16(24(14)23)28(34)36)27(35)33-20-8-3-12(29)9-18(20)31-25(13)33/h3-11H,2H2,1H3


name: 4-[(4-chlorophenyl)thio]-11-methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one
cas: 97416-78-9
dtxsid: DTXSID30242956
formula: C25H15ClN2OS
inchikey: SDEFOKDRSRTRMA-UHFFFAOYSA-N
norman_susdat_id: NS00066661
pubchem_cid: 44151322
smiles: O=C1C2=CC=C(SC3=CC=C(Cl)C=C3)C4=CC=CC(C5=NC6=CC(=CC=C6N15)C)=C42
inchi:
InChI=1/C25H15ClN2OS/c1-14-5-11-21-20(13-14)27-24-18-4-2-3-17-22(30-16-8-6-15(26)7-9-16)12-10-19(23(17)18)25(29)28(21)24/h2-13H,1H3


name: 4-[(4-chlorophenyl)thio]-10-methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one
cas: 97416-79-0
dtxsid: DTXSID90242957
formula: C25H15ClN2OS
inchikey: JRSMCCXXCFDADM-UHFFFAOYSA-N
norman_susdat_id: NS00066396
pubchem_cid: 44151355
smiles: O=C1C2=CC=C(SC3=CC=C(Cl)C=C3)C4=CC=CC(C5=NC6=CC=C(C=C6N15)C)=C42
inchi:
InChI=1/C25H15ClN2OS/c1-14-5-11-20-21(13-14)28-24(27-20)18-4-2-3-17-22(12-10-19(23(17)18)25(28)29)30-16-8-6-15(26)7-9-16/h2-13H,1H3


name: 3-[(4-chlorophenyl)thio]-10-methyl-7H-benzimidazo[2,1-a]benz[de]isoquinolin-7-one
cas: 97416-81-4
dtxsid: DTXSID50242958
formula: C25H15ClN2OS
inchikey: OYMNNEJVISLWKF-UHFFFAOYSA-N
norman_susdat_id: NS00066670
pubchem_cid: 44150201
smiles: O=C1C2=CC=CC3=C(SC4=CC=C(Cl)C=C4)C=CC(C5=NC6=CC=C(C=C6N15)C)=C32
inchi:
InChI=1/C25H15ClN2OS/c1-14-5-11-20-21(13-14)28-24(27-20)18-10-12-22(30-16-8-6-15(26)7-9-16)17-3-2-4-19(23(17)18)25(28)29/h2-13H,1H3


name: 1,1'-(Isopropylidene)bis(3,5-dibromo-4-(2,3-dibromo-2-methylpropoxy)benzene)
cas: 97416-84-7
chemspiderid: 11364088
dtxsid: DTXSID80893715
formula: C23H24Br8O2
inchikey: IYOVSGHZOIZSDC-UHFFFAOYSA-N
norman_susdat_id: NS00002416
pubchem_cid: 22345068
smiles: CC(Br)(CBr)COc1c(Br)cc(cc1Br)C(C)(C)c1cc(Br)c(OCC(C)(Br)CBr)c(Br)c1
inchi:
InChI=1S/C23H24Br8O2/c1-21(2,13-5-15(26)19(16(27)6-13)32-11-22(3,30)9-24)14-7-17(28)20(18(29)8-14)33-12-23(4,31)10-25/h5-8H,9-12H2,1-4H3


cas: 97416-97-2
formula: C19H18N4O13S3
inchikey: FXDZTRRZZIKKMQ-UHFFFAOYSA-K
norman_susdat_id: NS00066104
pubchem_cid: 3024888
name:
Tripotassium 4,5-dihydro-4-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C19H18N4O13S3.3K/c1-35-15-7-6-13(37(27,28)9-8-36-39(32,33)34)10-14(15)20-21-16-17(19(25)26)22-23(18(16)24)11-2-4-12(5-3-11)38(29,30)31;;;/h2-7,10,16H,8-9H2,1H3,(H,25,26)(H,29,30,31)(H,32,33,34);;;/q;3*+1/p-3

smiles:
[K+].[K+].[K+].O=C([O-])C1=NN(C(=O)C1N=NC2=CC(=CC=C2OC)S(=O)(=O)CCOS(=O)(=O)[O-])C3=CC=C(C=C3)S(=O)(=O)[O-]


cas: 97417-01-1
formula: C29H25ClN8O10S2
inchikey: WKJKXNDKRUONHJ-UHFFFAOYSA-N
norman_susdat_id: NS00066672
pubchem_cid: 11971424
name:
4-[[5-[[4-(4-butylphenoxy)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid

inchi:
InChI=1/C29H25ClN8O10S2/c1-2-3-4-16-5-10-19(11-6-16)48-29-33-27(30)32-28(34-29)31-17-7-14-22(50(45,46)47)21(15-17)35-36-23-24(26(40)41)37-38(25(23)39)18-8-12-20(13-9-18)49(42,43)44/h5-15,23H,2-4H2,1H3,(H,40,41)(H,42,43,44)(H,45,46,47)(H,31,32,33,34)

smiles:
O=C(O)C1=NN(C(=O)C1N=NC2=CC(=CC=C2S(=O)(=O)O)NC=3N=C(Cl)N=C(N3)OC4=CC=C(C=C4)CCCC)C5=CC=C(C=C5)S(=O)(=O)O


cas: 97434-75-8
chemspiderid: 17288016
dtxsid: DTXSID5072985
formula: C59H28Br2N8O8
inchikey: NIZSTWDWXVSTHF-UHFFFAOYSA-N
norman_susdat_id: NS00040515
pubchem_cid: 101598131
name:
Naphth[2,3-c]acridine-5,8,14(13H)-trione, 6,6'-[[6-[(9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-1,3,5-triazine-2,4-diyl]diimino]bis[10-bromo-

inchi:
InChI=1S/C59H28Br2N8O8/c60-24-16-18-37-33(20-24)50(71)35-22-40(43-45(47(35)62-37)55(76)30-12-5-3-10-28(30)53(43)74)65-58-67-57(64-39-15-7-14-32-42(39)52(73)27-9-2-1-8-26(27)49(32)70)68-59(69-58)66-41-23-36-48(63-38-19-17-25(61)21-34(38)51(36)72)46-44(41)54(75)29-11-4-6-13-31(29)56(46)77/h1-23H,(H,62,71)(H,63,72)(H3,64,65,66,67,68,69)

smiles:
BrC1=CC=C2NC3=C4C(=O)C5=CC=CC=C5C(=O)C4=C(NC4=NC(NC5=C6C(=O)C7=CC=CC=C7C(=O)C6=C6NC7=CC=C(Br)C=C7C(=O)C6=C5)=NC(NC5=CC=CC6=C5C(=O)C5=CC=CC=C5C6=O)=N4)C=C3C(=O)C2=C1


name: 1-Tetradecanol, phosphate, potassium salt
cas: 97435-26-2
formula: -
inchikey: FRZFGZORTBOVCV-UHFFFAOYSA-L
norman_susdat_id: NS00093192
smiles: [K+].CCCCCCCCCCCCCCOP(=O)([O-])[O-]
inchi:
InChI=1/C14H31O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H2,15,16,17);/q;+1/p-2


name: 1-Tetradecanol, phosphate, sodium salt
cas: 97435-27-3
formula: -
inchikey: DOSBBBHSAFMUKV-UHFFFAOYSA-L
norman_susdat_id: NS00093193
smiles: [Na+].CCCCCCCCCCCCCCOP(=O)([O-])[O-]
inchi:
InChI=1/C14H31O4P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H2,15,16,17);/q;+1/p-2


name: Ethenetricarbonitrile, [4-[butyl(2-phenylethyl)amino]phenyl]-
cas: 97460-76-9
chemspiderid: NA
dtxsid: DTXSID0072986
formula: C23H22N4
inchikey: TVMZZRBABRWPFV-UHFFFAOYSA-N
norman_susdat_id: NS00009043
pubchem_cid: 19881026
smiles: CCCCN(CCc1ccccc1)c1ccc(cc1)C(C#N)=C(C#N)C#N
inchi:
InChI=1S/C23H22N4/c1-2-3-14-27(15-13-19-7-5-4-6-8-19)22-11-9-20(10-12-22)23(18-26)21(16-24)17-25/h4-12H,2-3,13-15H2,1H3


name: N,N'-bis(dimethylphenyl)guanidine monohydrochloride
cas: 97465-55-9
formula: C17H21N3.ClH
inchikey: RYQYLNYFIABLGA-UHFFFAOYSA-N
norman_susdat_id: NS00092941
smiles: Cl.Cc1cccc(NC(=N)Nc2cccc(C)c2C)c1C
inchi:
InChI=1/C17H21N3.ClH/c1-11-7-5-9-15(13(11)3)19-17(18)20-16-10-6-8-12(2)14(16)4;/h5-10H,1-4H3,(H3,18,19,20);1H


name: 3,6,9,12,15,18-hexaoxaicosane-1,20-diyl dioleate
cas: 97467-64-6
formula: C50H94O10
inchikey: PCQFPTYKFOPQLP-CLFAGFIQSA-N
norman_susdat_id: NS00066001
pubchem_cid: 44149874
smiles: O=C(OCCOCCOCCOCCOCCOCCOCCOC(=O)CCCCCCCC=CCCCCCCCC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C50H94O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-49(51)59-47-45-57-43-41-55-39-37-53-35-36-54-38-40-56-42-44-58-46-48-60-50(52)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-48H2,1-2H3


name: 3,6,9,12,15,18-hexaoxaicosane-1,20-diyl distearate
cas: 97467-66-8
dtxsid: DTXSID30242991
formula: C50H98O10
inchikey: UIXPZXWQZJBLMD-UHFFFAOYSA-N
norman_susdat_id: NS00066642
pubchem_cid: 44146423
smiles: O=C(OCCOCCOCCOCCOCCOCCOCCOC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C50H98O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-49(51)59-47-45-57-43-41-55-39-37-53-35-36-54-38-40-56-42-44-58-46-48-60-50(52)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-48H2,1-2H3


name: Docosyl 2-ethylhexanoate
cas: 97467-67-9
dtxsid: DTXSID60913905
formula: C30H60O2
inchikey: IVVSKQQLKMIDFD-UHFFFAOYSA-N
norman_susdat_id: NS00066367
pubchem_cid: 3024902
smiles: O=C(OCCCCCCCCCCCCCCCCCCCCCC)C(CC)CCCC
inchi:
InChI=1/C30H60O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-32-30(31)29(6-3)27-8-5-2/h29H,4-28H2,1-3H3


name: 4-[2-[4-(benzoxazol-2-yl)phenyl]vinyl]-N-[1-(hydroxyamino)ethylidene]benzamide
cas: 97467-68-0
formula: C24H19N3O3
inchikey: INYMGHUWXJJNQM-VOTSOKGWSA-N
norman_susdat_id: NS00066002
pubchem_cid: NA
smiles: O=C(N=C(NO)C)C1=CC=C(C=CC2=CC=C(C=C2)C3=NC=4C=CC=CC4O3)C=C1
inchi:
InChI=1/C24H19N3O3/c1-16(27-29)25-23(28)19-12-8-17(9-13-19)6-7-18-10-14-20(15-11-18)24-26-21-4-2-3-5-22(21)30-24/h2-15,29H,1H3,(H,25,27,28)


cas: 97467-69-1
formula: C21H18ClN7O11S3
inchikey: RJQAYNHOBBIJMQ-UHFFFAOYSA-N
norman_susdat_id: NS00093018
smiles: Clc4nc(Nc2ccc(c3cc(c(N=Nc1ccccc1S(O)(=O)=O)c(O)c23)S(O)(=O)=O)S(O)(=O)=O)nc(NCCO)n4
name:
4-[[4-chloro-6-[(2-hydroxyethyl)amino]-1,3,5-triazin-2-yl]amino]-5-hydroxy-6-[(2-sulphophenyl)azo]naphthalene-1,7-disulphonic acid

inchi:
InChI=1/C21H18ClN7O11S3/c22-19-25-20(23-7-8-30)27-21(26-19)24-12-5-6-13(41(32,33)34)10-9-15(43(38,39)40)17(18(31)16(10)12)29-28-11-3-1-2-4-14(11)42(35,36)37/h1-6,9,30-31H,7-8H2,(H,32,33,34)(H,35,36,37)(H,38,39,40)(H2,23,24,25,26,27)


name: 2,2,5,5-tetramethyl-a-[(2-methylphenoxy)methyl]pyrrolidine-1-ethanol hydrochloride
cas: 97467-70-4
dtxsid: DTXSID00913904
formula: C18H29NO2
inchikey: AGPGNIVJVGCHFO-UHFFFAOYSA-N
norman_susdat_id: NS00065858
pubchem_cid: 212077
smiles: Cl.OC(COC=1C=CC=CC1C)CN2C(C)(C)CCC2(C)C
inchi:
InChI=1/C18H29NO2.ClH/c1-14-8-6-7-9-16(14)21-13-15(20)12-19-17(2,3)10-11-18(19,4)5;/h6-9,15,20H,10-13H2,1-5H3;1H


name: 1-(hydroxymethyl)ethylene bis(3,5,5-trimethylhexanoate)
cas: 97467-71-5
dtxsid: DTXSID40913903
formula: C21H40O5
inchikey: IBUFAZUSWCOWLK-UHFFFAOYSA-N
norman_susdat_id: NS00066368
pubchem_cid: 53422222
smiles: O=C(OCC(OC(=O)CC(C)CC(C)(C)C)CO)CC(C)CC(C)(C)C
inchi:
InChI=1/C21H40O5/c1-15(11-20(3,4)5)9-18(23)25-14-17(13-22)26-19(24)10-16(2)12-21(6,7)8/h15-17,22H,9-14H2,1-8H3


name: 2-hydroxypropane-1,3-diyl bis(3,5,5-trimethylhexanoate)
cas: 97467-72-6
dtxsid: DTXSID80913902
formula: C21H40O5
inchikey: CWNHMBDYDBMCOC-UHFFFAOYSA-N
norman_susdat_id: NS00066369
pubchem_cid: 44153979
smiles: O=C(OCC(O)COC(=O)CC(C)CC(C)(C)C)CC(C)CC(C)(C)C
inchi:
InChI=1/C21H40O5/c1-15(11-20(3,4)5)9-18(23)25-13-17(22)14-26-19(24)10-16(2)12-21(6,7)8/h15-17,22H,9-14H2,1-8H3


name: [5-[[(2-ammonioethyl)thio]methyl]furfuryl]dimethylammonium oxalate
cas: 97467-74-8
formula: C10H18N2OS.C2H2O4
inchikey: WRLHGMJMXYLANM-UHFFFAOYSA-N
norman_susdat_id: NS00093365
smiles: C[NH+](C)Cc1oc(CSCC[NH3+])cc1.[O-]C(=O)C(=O)[O-]
inchi:
InChI=1/C10H18N2OS.C2H2O4/c1-12(2)7-9-3-4-10(13-9)8-14-6-5-11;3-1(4)2(5)6/h3-4H,5-8,11H2,1-2H3;(H,3,4)(H,5,6)


name: Benzenesulfonic acid, dodecyl-, zinc salt, basic
cas: 97467-81-7
formula: -
inchikey: KXXHVORAYBOHPQ-UHFFFAOYSA-M
norman_susdat_id: NS00092956
smiles: [Zn+2].CCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-]
inchi:
InChI=1/C18H30O3S.Zn/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);/q;+2/p-1


name: Tricosanoic acid, barium salt, basic
cas: 97468-35-4
formula: -
inchikey: DBYKSWWSZNEOCR-UHFFFAOYSA-M
norman_susdat_id: NS00093368
smiles: [Ba+2].CCCCCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C23H46O2.Ba/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);/q;+2/p-1


cas: 97488-55-6
formula: C59H102O7
inchikey: WXZIMZQDEGUSQL-IQIKGOQTSA-N
norman_susdat_id: NS00065893
pubchem_cid: 122638449
smiles: O=C(OCC(CO)(COC(=O)CCCCCCCC=CCC=CCCCCC)COC(=O)CCCCCCCC=CCC=CCCCCC)CCCCCCCC=CCC=CCCCCC
name:
(Z)-2-(hydroxymethyl)-2-[[(1-oxooctadeca-9,12-dienyl)oxy]methyl]propane-1,3-diyl bis[(9Z,12Z)-octadeca-9,12-dienoate]

inchi:
InChI=1/C59H102O7/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(61)64-53-59(52-60,54-65-57(62)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)55-66-58(63)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h16-21,25-30,60H,4-15,22-24,31-55H2,1-3H3


name: 3-hydroxy-2,2-bis(hydroxymethyl)propyl (9Z,12Z)-octadeca-9,12-dienoate
cas: 97488-56-7
formula: C23H42O5
inchikey: QWSLXWOHIYWPGZ-HZJYTTRNSA-N
norman_susdat_id: NS00065894
pubchem_cid: 20833832
smiles: O=C(OCC(CO)(CO)CO)CCCCCCCC=CCC=CCCCCC
inchi:
InChI=1/C23H42O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)28-21-23(18-24,19-25)20-26/h6-7,9-10,24-26H,2-5,8,11-21H2,1H3


name: 3H-Xanthen-3-one, 2,6,7-trihydroxy-9-phenyl-
cas: 975-17-7
chemspiderid: 6790
dtxsid: DTXSID2061355
formula: C19H12O5
inchikey: YDCFOUBAMGLLKA-UHFFFAOYSA-N
norman_susdat_id: NS00040517
pubchem_cid: 70420
smiles: Oc1cc2c(cc1O)c(c1ccccc1)c1cc(O)c(=O)cc1o2
inchi:
InChI=1S/C19H12O5/c20-13-6-11-17(8-15(13)22)24-18-9-16(23)14(21)7-12(18)19(11)10-4-2-1-3-5-10/h1-9,20-22H


name: N(1)-(5-Phosphoribosyl)-5,6-dimethylbenzimidazole
cas: 975-91-7
chebiid: CHEBI:16837
dtxsid: DTXSID10243007
formula: C14H19N2O7P
inchikey: ZMRGXEJKZPRBPJ-SYQHCUMBSA-N
norman_susdat_id: NS00070104
pubchem_cid: 444941
smiles: Cc1cc2ncn([C@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2cc1C
inchi:
InChI=1S/C14H19N2O7P/c1-7-3-9-10(4-8(7)2)16(6-15-9)14-13(18)12(17)11(23-14)5-22-24(19,20)21/h3-4,6,11-14,17-18H,5H2,1-2H3,(H2,19,20,21)/t11-,12-,13-,14+/m1/s1


name: Ceftibuten
cas: 97519-39-6
chebiid: CHEBI:3510
chemspiderid: 4445419
dtxsid: DTXSID4045925
formula: C15H14N4O6S2
inchikey: UNJFKXSSGBWRBZ-BJCIPQKHSA-N
norman_susdat_id: NS00001036
pubchem_cid: 5282242
smiles: Nc1nc(cs1)C(=CCC(O)=O)C(=O)N[C@H]1[C@H]2SCC=C(N2C1=O)C(O)=O
inchi:
InChI=1S/C15H14N4O6S2/c16-15-17-7(5-27-15)6(1-2-9(20)21)11(22)18-10-12(23)19-8(14(24)25)3-4-26-13(10)19/h1,3,5,10,13H,2,4H2,(H2,16,17)(H,18,22)(H,20,21)(H,24,25)/b6-1-/t10-,13-/m1/s1


cas: 97529-84-5
formula: C15H20O6
inchikey: JTHHOHSDOJJNFN-HIWLEQICSA-N
norman_susdat_id: NS00097447
smiles: C/C=C(C)/C(=O)O[C@H]1C=CC(=O)O[C@H]1/C=C/[C@@H]([C@H](C)O)O
name:
(2S,3S)-2-[(1E,3S,4S)-3,4-Dihydroxy-1-penten-1-yl]-6-oxo-3,6-dihydro-2H-pyran-3-yl (2E)-2-methyl-2-butenoate

inchi:
InChI=1S/C15H20O6/c1-4-9(2)15(19)21-13-7-8-14(18)20-12(13)6-5-11(17)10(3)16/h4-8,10-13,16-17H,1-3H3/b6-5+,9-4+/t10-,11-,12-,13-/m0/s1


name: 4-[4-(acetylamino)anilino]-1-amino-9,10-dihydro-9,10-dioxoanthracene-2,6-disulphonic acid
cas: 97549-02-5
dtxsid: DTXSID70243023
formula: C22H17N3O9S2
inchikey: MOQRDWUCKHSLCR-UHFFFAOYSA-N
norman_susdat_id: NS00065825
pubchem_cid: 3024910
smiles: O=C1C2=CC=C(C=C2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)O)NC4=CC=C(C=C4)NC(=O)C)S(=O)(=O)O
inchi:
InChI=1/C22H17N3O9S2/c1-10(26)24-11-2-4-12(5-3-11)25-16-9-17(36(32,33)34)20(23)19-18(16)22(28)15-8-13(35(29,30)31)6-7-14(15)21(19)27/h2-9,25H,23H2,1H3,(H,24,26)(H,29,30,31)(H,32,33,34)


name: Propane-1,3-diyl cyclohexane-1,2-dicarboxylate
cas: 97552-47-1
dtxsid: DTXSID80913866
formula: C19H28O8
inchikey: PTSZLVQNKQMQQE-UHFFFAOYSA-M
norman_susdat_id: NS00066339
pubchem_cid: 102058823
smiles: O=C([O-])C1CCCCC1C(=O)OCCCOC(=O)C2CCCCC2C(=O)O
inchi:
InChI=1/C19H28O8/c20-16(21)12-6-1-3-8-14(12)18(24)26-10-5-11-27-19(25)15-9-4-2-7-13(15)17(22)23/h12-15H,1-11H2,(H,20,21)(H,22,23)/p-1


name: Propane-1,3-diyl isophthalate
cas: 97552-48-2
dtxsid: DTXSID30243024
formula: C19H16O8
inchikey: VSZJHYRPGGDBBQ-UHFFFAOYSA-M
norman_susdat_id: NS00066632
pubchem_cid: 18624322
smiles: O=C([O-])C1=CC=CC(=C1)C(=O)OCCCOC(=O)C=2C=CC=C(C2)C(=O)O
inchi:
InChI=1/C19H16O8/c20-16(21)12-4-1-6-14(10-12)18(24)26-8-3-9-27-19(25)15-7-2-5-13(11-15)17(22)23/h1-2,4-7,10-11H,3,8-9H2,(H,20,21)(H,22,23)/p-1


cas: 97552-56-2
formula: C34H30N3O2S.Br
inchikey: DLYYPSYKXHVQKG-UHFFFAOYSA-M
norman_susdat_id: NS00092990
smiles: [Br-].CN6/C=C\C(=CC=C4SC(=Cc2oc1ccc(cc1[n+]2CC)c3ccccc3)N(CC=C)C4=O)c5ccccc56
name:
2-[[3-allyl-5-[(1-methyl-1H-quinolin-4-ylidene)ethylidene]-4-oxothiazolidin-2-ylidene]methyl]-3-ethyl-5-phenylbenzoxazolium bromide

inchi:
InChI=1/C34H30N3O2S.BrH/c1-4-20-37-33(40-31(34(37)38)18-16-25-19-21-35(3)28-14-10-9-13-27(25)28)23-32-36(5-2)29-22-26(15-17-30(29)39-32)24-11-7-6-8-12-24;/h4,6-19,21-23H,1,5,20H2,2-3H3;1H/q+1;/p-1


name: 1,1'-[isopropylidenebis(p-phenyleneoxy)]bis[3-[p-[(p-aminophenyl)methyl]anilino]propan-2-ol]
cas: 97552-63-1
dtxsid: DTXSID40913862
formula: C47H52N4O4
inchikey: JVBXZQJFONRBGP-UHFFFAOYSA-N
norman_susdat_id: NS00065949
pubchem_cid: 44150274
inchi:
InChI=1/C47H52N4O4/c1-47(2,37-11-23-45(24-12-37)54-31-43(52)29-50-41-19-7-35(8-20-41)27-33-3-15-39(48)16-4-33)38-13-25-46(26-14-38)55-32-44(53)30-51-42-21-9-36(10-22-42)28-34-5-17-40(49)18-6-34/h3-26,43-44,50-53H,27-32,48-49H2,1-2H3

smiles:
OC(COC1=CC=C(C=C1)C(C2=CC=C(OCC(O)CNC3=CC=C(C=C3)CC4=CC=C(N)C=C4)C=C2)(C)C)CNC5=CC=C(C=C5)CC6=CC=C(N)C=C6


cas: 97552-64-2
formula: C97H110N2O16
inchikey: WIMBSVAMVGTRRO-UHFFFAOYSA-N
norman_susdat_id: NS00066759
pubchem_cid: 44149248
name:
1,1',1'',1'''-[methylenebis(p-phenylenenitrilo)]tetrakis[3-[4-[1-methyl-1-[4-(oxiranylmethoxy)phenyl]ethyl]phenoxy]propan-2-ol]

inchi:
InChI=1/C97H110N2O16/c1-94(2,72-21-41-86(42-22-72)108-58-90-62-112-90)68-13-33-82(34-14-68)104-54-78(100)50-98(51-79(101)55-105-83-35-15-69(16-36-83)95(3,4)73-23-43-87(44-24-73)109-59-91-63-113-91)76-29-9-66(10-30-76)49-67-11-31-77(32-12-67)99(52-80(102)56-106-84-37-17-70(18-38-84)96(5,6)74-25-45-88(46-26-74)110-60-92-64-114-92)53-81(103)57-107-85-39-19-71(20-40-85)97(7,8)75-27-47-89(48-28-75)111-61-93-65-115-93/h9-48,78-81,90-93,100-103H,49-65H2,1-8H3

smiles:
OC(COC1=CC=C(C=C1)C(C2=CC=C(OCC3OC3)C=C2)(C)C)CN(C4=CC=C(C=C4)CC5=CC=C(C=C5)N(CC(O)COC6=CC=C(C=C6)C(C7=CC=C(OCC8OC8)C=C7)(C)C)CC(O)COC9=CC=C(C=C9)C(C%10=CC=C(OCC%11OC%11)C=C%10)(C)C)CC(O)COC%12=CC=C(C=C%12)C(C%13=CC=C(OCC%14OC%14)C=C%13)(C)C


cas: 97552-65-3
dtxsid: DTXSID20243033
formula: C35H54N2O9S2
inchikey: QAOHHICCXNNOLM-UHFFFAOYSA-N
norman_susdat_id: NS00066341
pubchem_cid: 3024916
smiles: O=C(NC1=CC(=CC=C1OCCCCCCCCCCCCCCCCCC)S(=O)(=O)NC)CC(=O)C2=CC=C(OC)C(=C2)S(=O)(=O)O
name:
2-methoxy-5-[3-[[5-[(methylamino)sulphonyl]-2-(octadecyloxy)phenyl]amino]-1,3-dioxopropyl]benzenesulphonic acid

inchi:
InChI=1/C35H54N2O9S2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-46-32-23-21-29(47(40,41)36-2)26-30(32)37-35(39)27-31(38)28-20-22-33(45-3)34(25-28)48(42,43)44/h20-23,25-26,36H,4-19,24,27H2,1-3H3,(H,37,39)(H,42,43,44)


name: N-ethyl-N-[2-(hexyloxy)ethyl]-4-[(5-nitrothiazol-2-yl)azo]aniline
cas: 97552-66-4
formula: C19H28N5O3S
inchikey: HESORDYNQVXDHT-UHFFFAOYSA-N
norman_susdat_id: NS00066633
pubchem_cid: 3024917
smiles: O=[N+]([O-])C=1SC(N=NC2=CC=C(C=C2)N(CC)CCOCCCCCC)=NC1
inchi:
InChI=1/C19H27N5O3S/c1-3-5-6-7-13-27-14-12-23(4-2)17-10-8-16(9-11-17)21-22-19-20-15-18(28-19)24(25)26/h8-11,15H,3-7,12-14H2,1-2H3


name: 2-(1-ethylpentyl)-1,3-dioxan-5-yl laurate
cas: 97552-68-6
dtxsid: DTXSID20913860
formula: C23H44O4
inchikey: IKKWBFMGTZBQTC-UHFFFAOYSA-N
norman_susdat_id: NS00065951
pubchem_cid: 16206193
smiles: O=C(OC1COC(OC1)C(CC)CCCC)CCCCCCCCCCC
inchi:
InChI=1/C23H44O4/c1-4-7-9-10-11-12-13-14-15-17-22(24)27-21-18-25-23(26-19-21)20(6-3)16-8-5-2/h20-21,23H,4-19H2,1-3H3


name: [2-(1-ethylpentyl)-1,3-dioxolan-4-yl]methyl laurate
cas: 97552-69-7
dtxsid: DTXSID10913859
formula: C23H44O4
inchikey: HGCKVGIEMOPPFY-UHFFFAOYSA-N
norman_susdat_id: NS00065952
pubchem_cid: 11971426
smiles: O=C(OCC1OC(OC1)C(CC)CCCC)CCCCCCCCCCC
inchi:
InChI=1/C23H44O4/c1-4-7-9-10-11-12-13-14-15-17-22(24)25-18-21-19-26-23(27-21)20(6-3)16-8-5-2/h20-21,23H,4-19H2,1-3H3


name: Bis[tris(2-hydroxyethyl)ammonium] nitroglutarate
cas: 97552-76-6
formula: C6H15NO3.1/2C5H7NO6
inchikey: WCKMQAUCEBJREO-UHFFFAOYSA-N
norman_susdat_id: NS00093182
smiles: OCC[NH+](CCO)CCO.OCC[NH+](CCO)CCO.[O-]C(=O)CCC(C(=O)[O-])[N+](=O)[O-]
inchi:
InChI=1/2C6H15NO3.C5H7NO6/c2*8-4-1-7(2-5-9)3-6-10;7-4(8)2-1-3(5(9)10)6(11)12/h2*8-10H,1-6H2;3H,1-2H2,(H,7,8)(H,9,10)


name: Bis[bis(2-hydroxyethyl)ammonium] nitroheptanedioate
cas: 97552-83-5
formula: C7H11NO6.2C4H11NO2
inchikey: ZHXMDHABNIPIBE-UHFFFAOYSA-N
norman_susdat_id: NS00093014
smiles: OCC[NH2+]CCO.OCC[NH2+]CCO.[O-]C(=O)CCCCC(C(=O)[O-])[N+](=O)[O-]
inchi:
InChI=1/C7H11NO6.2C4H11NO2/c9-6(10)4-2-1-3-5(7(11)12)8(13)14;2*6-3-1-5-2-4-7/h5H,1-4H2,(H,9,10)(H,11,12);2*5-7H,1-4H2


name: Bis[bis(2-hydroxyethyl)ammonium] nitroglutarate
cas: 97552-85-7
dtxsid: DTXSID40913847
formula: C5H8NO6
inchikey: PMYXFYGVJZFOJE-UHFFFAOYSA-N
norman_susdat_id: NS00065833
pubchem_cid: NA
smiles: O=C([O-])CCC(C(=O)[O-])[N+](=O)[O-].OCC[NH2+]CCO.OCC[NH2+]CCO
inchi:
InChI=1/C5H7NO6.2C4H11NO2/c7-4(8)2-1-3(5(9)10)6(11)12;2*6-3-1-5-2-4-7/h3H,1-2H2,(H,7,8)(H,9,10);2*5-7H,1-4H2


name: Cyclohexyl-2-(2-phenylethyl)phenol
cas: 97552-88-0
dtxsid: DTXSID60913844
formula: C20H26O
inchikey: WFCPRXAIIITVBR-UHFFFAOYSA-N
norman_susdat_id: NS00066636
pubchem_cid: 21149883
smiles: OC1C=CC=CC1(CCC=2C=CC=CC2)C3CCCCC3
inchi:
InChI=1/C20H26O/c21-19-13-7-8-15-20(19,18-11-5-2-6-12-18)16-14-17-9-3-1-4-10-17/h1,3-4,7-10,13,15,18-19,21H,2,5-6,11-12,14,16H2


name: 1-Docosanol, phosphate, potassium salt
cas: 97553-88-3
formula: -
inchikey: AKKUBWZGLNJVLE-UHFFFAOYSA-L
norman_susdat_id: NS00093101
smiles: [K+].CCCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-]
inchi:
InChI=1/C22H47O4P.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-27(23,24)25;/h2-22H2,1H3,(H2,23,24,25);/q;+1/p-2


name: 1-Docosanol, phosphate, sodium salt
cas: 97553-89-4
formula: -
inchikey: UIYWNYCALIADHI-UHFFFAOYSA-L
norman_susdat_id: NS00093012
smiles: [Na+].CCCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-]
inchi:
InChI=1/C22H47O4P.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-27(23,24)25;/h2-22H2,1H3,(H2,23,24,25);/q;+1/p-2


name: 4-Propylphenyl 4'-propyl[1,1'-bi(cyclohexane)]-4-carboxylate
cas: 97564-42-6
chemspiderid: 14318248
dtxsid: DTXSID60560731
formula: C25H38O2
inchikey: JHDGZPSFHYZDNF-UHFFFAOYSA-N
norman_susdat_id: NS00040519
pubchem_cid: 14473337
smiles: CCCC1CCC(CC1)C1CCC(CC1)C(=O)OC1=CC=C(CCC)C=C1
inchi:
InChI=1S/C25H38O2/c1-3-5-19-7-11-21(12-8-19)22-13-15-23(16-14-22)25(26)27-24-17-9-20(6-4-2)10-18-24/h9-10,17-19,21-23H,3-8,11-16H2,1-2H3/t19-,21+,22-,23-


name: Pectenotoxin-1
cas: 97564-90-4
dtxsid: DTXSID10880092
formula: C47H70O15
inchikey: KJWMGLBVDNMNQW-VWTMXFPPSA-N
norman_susdat_id: NS00075590
inchi:
InChI=1/C47H70O15/c1-26-9-10-32-34(21-37(55-32)47(53)39(50)28(3)13-19-54-47)56-41(52)29(4)31-8-7-14-45(57-31)16-11-33(58-45)40(51)43(6)23-30(49)38(61-43)35-24-44(25-48)17-18-46(59-35,62-44)36-12-15-42(5,60-36)22-27(2)20-26/h9-10,20,27-29,31-40,48,50-51,53H,7-8,11-19,21-25H2,1-6H3/b10-9+,26-20+/t27-,28+,29+,31-,32+,33-,34+,35+,36+,37-,38-,39+,40-,42+,43+,44-,45+,46-,47+/s2

smiles:
[H][C@]12CC[C@@]3(CCC[C@]([H])(O3)[C@@H](C)C(=O)O[C@]3([H])C[C@]([H])(O[C@]3([H])C=CC(C)=C[C@H](C)C[C@@]3(C)CC[C@@]([H])(O3)[C@@]34CC[C@@](CO)(C[C@@]([H])(O3)[C@@]3([H])O[C@](C)(CC3=O)[C@H]1O)O4)[C@@]1(O)OCC[C@@H](C)[C@H]1O)O2


name: Pectenotoxin 2
cas: 97564-91-5
chemspiderid: 4712650
dtxsid: DTXSID60893516
formula: C47H70O14
inchikey: PTKFEDGHUVZLPL-UHFFFAOYSA-N
norman_susdat_id: NS00005829
pubchem_cid: 3423480
inchi:
InChI=1S/C47H70O14/c1-26-10-11-32-34(22-37(54-32)47(52)39(49)28(3)14-20-53-47)55-41(51)29(4)31-9-8-15-45(56-31)17-12-33(57-45)40(50)44(7)24-30(48)38(60-44)35-25-43(6)18-19-46(58-35,61-43)36-13-16-42(5,59-36)23-27(2)21-26/h10-11,21,27-29,31-40,49-50,52H,8-9,12-20,22-25H2,1-7H3

smiles:
CC1CCOC(O)(C2CC3OC(=O)C(C)C4CCCC5(CCC(O5)C(O)C5(C)CC(=O)C(O5)C5CC6(C)CCC(O6)(O5)C5CCC(C)(CC(C)C=C(C)C=CC3O2)O5)O4)C1O


name: Perfluoro-15-crown-5-ether
cas: 97571-69-2
chemspiderid: 2056364
dtxsid: DTXSID10379779
formula: C10F20O5
inchikey: CAKZCCWLOCDNJK-UHFFFAOYSA-N
norman_susdat_id: NS00019363
pubchem_cid: 2776038
smiles: FC1(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC1(F)F
inchi:
InChI=1S/C10F20O5/c11-1(12)2(13,14)32-5(19,20)6(21,22)34-9(27,28)10(29,30)35-8(25,26)7(23,24)33-4(17,18)3(15,16)31-1


cas: 97574-43-1
formula: C30H26ClN7O10S2
inchikey: PZBVTCVOAVDFJQ-UHFFFAOYSA-K
norman_susdat_id: NS00065991
pubchem_cid: 11971427
name:
Trisodium 4-[[5-[[4-(4-butylphenoxy)-6-chloro-1,3,5-triazin-2-yl]amino]-2-sulphonatophenyl]azo]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrrole-3-carboxylate

inchi:
InChI=1/C30H26ClN7O10S2.3Na/c1-2-3-4-17-5-10-20(11-6-17)48-30-34-28(31)33-29(35-30)32-18-7-14-24(50(45,46)47)23(15-18)36-37-25-22(27(40)41)16-38(26(25)39)19-8-12-21(13-9-19)49(42,43)44;;;/h5-16,25H,2-4H2,1H3,(H,40,41)(H,42,43,44)(H,45,46,47)(H,32,33,34,35);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C([O-])C1=CN(C(=O)C1N=NC2=CC(=CC=C2S(=O)(=O)[O-])NC=3N=C(Cl)N=C(N3)OC4=CC=C(C=C4)CCCC)C5=CC=C(C=C5)S(=O)(=O)[O-]


name: Phosphonic acid, [[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]methyl]-, diethyl ester
cas: 976-56-7
chemspiderid: 63600
dtxsid: DTXSID7061356
formula: C19H33O4P1
inchikey: GJDRKHHGPHLVNI-UHFFFAOYSA-N
norman_susdat_id: NS00015579
pubchem_cid: 70421
smiles: CCOP(=O)(CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)OCC
inchi:
InChI=1S/C19H33O4P/c1-9-22-24(21,23-10-2)13-14-11-15(18(3,4)5)17(20)16(12-14)19(6,7)8/h11-12,20H,9-10,13H2,1-8H3


name: 6,7-DIHYDROCANRENONE
cas: 976-70-5
chemspiderid: 92091
dtxsid: DTXSID10875403
formula: C22H30O3
inchikey: UWBICEKKOYXZRG-WNHSNXHDSA-N
norman_susdat_id: NS00008961
pubchem_cid: 101931
smiles: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1
inchi:
InChI=1S/C22H30O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h13,16-18H,3-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1


name: Canrenone
cas: 976-71-6
chebiid: CHEBI:135445
chemspiderid: 13192
dtxsid: DTXSID3045930
formula: C22H28O3
inchikey: UJVLDDZCTMKXJK-WNHSNXHDSA-N
norman_susdat_id: NS00010904
pubchem_cid: 13789
smiles: C[C@]12CC[C@H]3[C@@H](C=CC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@@]21CCC(=O)O1
inchi:
InChI=1S/C22H28O3/c1-20-9-5-15(23)13-14(20)3-4-16-17(20)6-10-21(2)18(16)7-11-22(21)12-8-19(24)25-22/h3-4,13,16-18H,5-12H2,1-2H3/t16-,17+,18+,20+,21+,22-/m1/s1


name: Sodium ionophore X
cas: 97600-39-0
chemspiderid: 2007004
dtxsid: DTXSID10369271
formula: C60H80O12
inchikey: HZHADWCIBZZJNV-UHFFFAOYSA-N
norman_susdat_id: NS00020457
pubchem_cid: 2724889
inchi:
InChI=1S/C60H80O12/c1-17-65-49(61)33-69-53-37-21-39-27-46(58(8,9)10)29-41(54(39)70-34-50(62)66-18-2)23-43-31-48(60(14,15)16)32-44(56(43)72-36-52(64)68-20-4)24-42-30-47(59(11,12)13)28-40(55(42)71-35-51(63)67-19-3)22-38(53)26-45(25-37)57(5,6)7/h25-32H,17-24,33-36H2,1-16H3

smiles:
CCOC(=O)COC1=C2CC3=CC(=CC(CC4=C(OCC(=O)OCC)C(CC5=C(OCC(=O)OCC)C(CC1=CC(=C2)C(C)(C)C)=CC(=C5)C(C)(C)C)=CC(=C4)C(C)(C)C)=C3OCC(=O)OCC)C(C)(C)C


name: 3-(2,3-dihydroxypropoxy)-2-hydroxypropyl oleate
cas: 97605-97-5
formula: C24H46O6
inchikey: BKZCZANSHGDPSH-KTKRTIGZSA-N
norman_susdat_id: NS00093341
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COCC(O)CO
inchi:
InChI=1/C24H46O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)30-21-23(27)20-29-19-22(26)18-25/h9-10,22-23,25-27H,2-8,11-21H2,1H3


name: Chlorodipropoxytitanium
cas: 97635-27-3
formula: C6H14ClO2Ti
inchikey: LVPRAOUVWXXVDC-UHFFFAOYSA-M
norman_susdat_id: NS00092885
smiles: CCCO[Ti](Cl)OCCC
inchi:
InChI=1/2C3H7O.ClH.Ti/c2*1-2-3-4;;/h2*2-3H2,1H3;1H;/q2*-1;;+3/p-1/rC6H14ClO2Ti/c1-3-5-8-10(7)9-6-4-2/h3-6H2,1-2H3


cas: 97635-28-4
formula: C23H19N5O8S2
inchikey: SJUGYRHPANIKKG-UHFFFAOYSA-M
norman_susdat_id: NS00065763
pubchem_cid: 44144916
name:
Sodium hydrogen 4,5-dihydro-4-[[4-methyl-3-[(phenylamino)sulphonyl]phenyl]azo]-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C23H19N5O8S2.Na.H2/c1-14-7-8-16(13-19(14)37(32,33)27-15-5-3-2-4-6-15)24-25-20-21(23(30)31)26-28(22(20)29)17-9-11-18(12-10-17)38(34,35)36;;/h2-13,20,27H,1H3,(H,30,31)(H,34,35,36);;1H/q;2*+1/p-2

smiles:
[H+].[Na+].O=C([O-])C1=NN(C(=O)C1N=NC2=CC=C(C(=C2)S(=O)(=O)NC=3C=CC=CC3)C)C4=CC=C(C=C4)S(=O)(=O)[O-]


name: Sodium 4-[4-[(2,5-dimethylphenyl)azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate
cas: 97635-29-5
formula: C18H18N4O4S
inchikey: LJGSBOIUDBSDPI-UHFFFAOYSA-M
norman_susdat_id: NS00066608
pubchem_cid: 3024982
smiles: [Na+].O=C1N(N=C(C)C1N=NC2=CC(=CC=C2C)C)C3=CC=C(C=C3)S(=O)(=O)[O-]
inchi:
InChI=1/C18H18N4O4S.Na/c1-11-4-5-12(2)16(10-11)19-20-17-13(3)21-22(18(17)23)14-6-8-15(9-7-14)27(24,25)26;/h4-10,17H,1-3H3,(H,24,25,26);/q;+1/p-1


name: 2-methylcyclohexyl palmitate
cas: 97635-30-8
dtxsid: DTXSID80913780
formula: C23H44O2
inchikey: HEJYYMALYZHULQ-UHFFFAOYSA-N
norman_susdat_id: NS00065764
pubchem_cid: 3024983
smiles: O=C(OC1CCCCC1C)CCCCCCCCCCCCCCC
inchi:
InChI=1/C23H44O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-23(24)25-22-19-17-16-18-21(22)2/h21-22H,3-20H2,1-2H3


name: 3-(3-ethyl-4-piperidyl)-1-[6-[(1-methylheptyl)oxy]-4-quinolyl]propan-1-one monohydrochloride
cas: 97635-34-2
dtxsid: DTXSID70913779
formula: C27H40N2O2
inchikey: NDGFCPTVWQRZGN-UHFFFAOYSA-N
norman_susdat_id: NS00065718
pubchem_cid: 3024986
smiles: Cl.O=C(C=1C=CN=C2C=CC(OC(C)CCCCCC)=CC21)CCC3CCNCC3CC
inchi:
InChI=1/C27H40N2O2.ClH/c1-4-6-7-8-9-20(3)31-23-11-12-26-25(18-23)24(15-17-29-26)27(30)13-10-22-14-16-28-19-21(22)5-2;/h11-12,15,17-18,20-22,28H,4-10,13-14,16,19H2,1-3H3;1H


name: Heptyl (9Z,12Z)-octadeca-9,12-dienoate
cas: 97635-36-4
formula: C25H46O2
inchikey: DBFMOWZBHVFCHH-XVTLYKPTSA-N
norman_susdat_id: NS00066609
pubchem_cid: 20833833
smiles: O=C(OCCCCCCC)CCCCCCCC=CCC=CCCCCC
inchi:
InChI=1/C25H46O2/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/h10-11,13-14H,3-9,12,15-24H2,1-2H3


name: 1-[2-(dimethylamino)ethyl]-1-phenylindan-7-ol
cas: 97635-49-9
dtxsid: DTXSID50913772
formula: C19H23NO
inchikey: GVHLOYFXYLRLDQ-UHFFFAOYSA-N
norman_susdat_id: NS00066226
pubchem_cid: 3024991
smiles: OC1=CC=CC2=C1C(C=3C=CC=CC3)(CC2)CCN(C)C
inchi:
InChI=1/C19H23NO/c1-20(2)14-13-19(16-8-4-3-5-9-16)12-11-15-7-6-10-17(21)18(15)19/h3-10,21H,11-14H2,1-2H3


name: 3-amino-N-[2,5-dihydro-5-oxo-1-(2,4,5-trichlorophenyl)-1H-pyrazol-4-yl]benzamide
cas: 97635-51-3
dtxsid: DTXSID20243093
formula: C16H11Cl3N4O2
inchikey: HZCZJNPXUSCLSJ-UHFFFAOYSA-N
norman_susdat_id: NS00065722
pubchem_cid: 3024992
smiles: O=C(NC1=CNN(C1=O)C2=CC(Cl)=C(Cl)C=C2Cl)C=3C=CC=C(N)C3
inchi:
InChI=1/C16H11Cl3N4O2/c17-10-5-12(19)14(6-11(10)18)23-16(25)13(7-21-23)22-15(24)8-2-1-3-9(20)4-8/h1-7,21H,20H2,(H,22,24)


cas: 97635-59-1
dtxsid: DTXSID20913769
formula: C26H25N3O6S
inchikey: CJJVBVWXLVLWPX-UHFFFAOYSA-M
norman_susdat_id: NS00066252
pubchem_cid: NA
smiles: [Na+].O=C1C2=CC=CC(=C2C(=O)C=3C(=CC=C(NC(C)C)C13)NC4=CC=C(C=C4)N(C(=O)C)C)S(=O)(=O)[O-]
name:
Sodium 8-[[4-(acetylmethylamino)phenyl]amino]-9,10-dihydro-5-[(1-methylethyl)amino]-9,10-dioxoanthracene-1-sulphonate

inchi:
InChI=1/C26H25N3O6S.Na/c1-14(2)27-19-12-13-20(28-16-8-10-17(11-9-16)29(4)15(3)30)24-23(19)25(31)18-6-5-7-21(36(33,34)35)22(18)26(24)32;/h5-14,27-28H,1-4H3,(H,33,34,35);/q;+1/p-1


cas: 97645-25-5
formula: C25H22N4O10S3
inchikey: DQDRCGSHHZHMLK-UHFFFAOYSA-L
norman_susdat_id: NS00065745
pubchem_cid: 135755781
name:
Disodium 5-(acetylamino)-4-hydroxy-3-[[4-methyl-3-[(phenylamino)sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C25H22N4O10S3.2Na/c1-14-8-9-18(12-21(14)40(32,33)29-17-6-4-3-5-7-17)27-28-24-22(42(37,38)39)11-16-10-19(41(34,35)36)13-20(26-15(2)30)23(16)25(24)31;;/h3-13,29,31H,1-2H3,(H,26,30)(H,34,35,36)(H,37,38,39);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC(=CC2=CC(=C(N=NC3=CC=C(C(=C3)S(=O)(=O)NC=4C=CC=CC4)C)C(O)=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C


name: 18-(dibutylamino)-10-hydroxy-18-oxooctadecane-9-sulphonic acid
cas: 97645-26-6
formula: C26H53NO5S
inchikey: SVNCGUOHHSGPSE-UHFFFAOYSA-N
norman_susdat_id: NS00066612
pubchem_cid: 107054
smiles: O=C(N(CCCC)CCCC)CCCCCCCC(O)C(CCCCCCCC)S(=O)(=O)O
inchi:
InChI=1/C26H53NO5S/c1-4-7-10-11-14-17-20-25(33(30,31)32)24(28)19-16-13-12-15-18-21-26(29)27(22-8-5-2)23-9-6-3/h24-25,28H,4-23H2,1-3H3,(H,30,31,32)


name: Octanoic acid, compound with 1,1-dimethylundecylamine (1:1)
cas: 97659-30-8
dtxsid: DTXSID90243106
formula: C13H29N
inchikey: FOBPSTLDOFSKBB-UHFFFAOYSA-N
norman_susdat_id: NS00065747
pubchem_cid: 44153387
smiles: O=C(O)CCCCCCC.NC(C)(C)CCCCCCCCCC
inchi:
InChI=1/C13H29N.C8H16O2/c1-4-5-6-7-8-9-10-11-12-13(2,3)14;1-2-3-4-5-6-7-8(9)10/h4-12,14H2,1-3H3;2-7H2,1H3,(H,9,10)


name: Octanoic acid, compound with 1,1-dimethyldecylamine (1:1)
cas: 97659-31-9
dtxsid: DTXSID50243107
formula: C12H27N
inchikey: ULBYDEYDFHXUST-UHFFFAOYSA-N
norman_susdat_id: NS00065791
pubchem_cid: 44154334
smiles: O=C(O)CCCCCCC.NC(C)(C)CCCCCCCCC
inchi:
InChI=1/C12H27N.C8H16O2/c1-4-5-6-7-8-9-10-11-12(2,3)13;1-2-3-4-5-6-7-8(9)10/h4-11,13H2,1-3H3;2-7H2,1H3,(H,9,10)


name: 2-(dodecyloxy)ethyl phosphate(3:1)
cas: 97659-32-0
dtxsid: DTXSID10243108
formula: C42H87O7P
inchikey: KIUSYSLYLPVJQT-UHFFFAOYSA-N
norman_susdat_id: NS00066613
pubchem_cid: 44147116
smiles: O=P(OCCOCCCCCCCCCCCC)(OCCOCCCCCCCCCCCC)OCCOCCCCCCCCCCCC
inchi:
InChI=1/C42H87O7P/c1-4-7-10-13-16-19-22-25-28-31-34-44-37-40-47-50(43,48-41-38-45-35-32-29-26-23-20-17-14-11-8-5-2)49-42-39-46-36-33-30-27-24-21-18-15-12-9-6-3/h4-42H2,1-3H3


name: 3-(2-hydroxyethyl)-1-(hydroxymethyl)-1-octadecylurea
cas: 97659-33-1
dtxsid: DTXSID70243109
formula: C22H46N2O3
inchikey: IPOOHGKNBFVTKG-UHFFFAOYSA-N
norman_susdat_id: NS00066614
pubchem_cid: 3025001
smiles: O=C(NCCO)N(CO)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C22H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-24(21-26)22(27)23-18-20-25/h25-26H,2-21H2,1H3,(H,23,27)


name: Calcium 5-ethoxy-2-[(2-hydroxy-1-naphthyl)azo]benzenesulphonate
cas: 97659-34-2
formula: C18H16N2O5S
inchikey: ALLWFKRZIBOODB-UHFFFAOYSA-L
norman_susdat_id: NS00066615
pubchem_cid: 135570943
inchi:
InChI=1/2C18H16N2O5S.Ca/c2*1-2-25-13-8-9-15(17(11-13)26(22,23)24)19-20-18-14-6-4-3-5-12(14)7-10-16(18)21;/h2*3-11,21H,2H2,1H3,(H,22,23,24);/q;;+2/p-2

smiles:
[Ca+2].O=S(=O)([O-])C1=CC(OCC)=CC=C1N=NC2=C(O)C=CC=3C=CC=CC32.O=S(=O)([O-])C1=CC(OCC)=CC=C1N=NC2=C(O)C=CC=3C=CC=CC32


name: 9,10-dichloro-12-hydroxyoctadecanoic acid
cas: 97659-36-4
dtxsid: DTXSID50913752
formula: C18H34Cl2O3
inchikey: AODBHFIRNOOMDL-UHFFFAOYSA-N
norman_susdat_id: NS00065706
pubchem_cid: 103035
smiles: O=C(O)CCCCCCCC(Cl)C(Cl)CC(O)CCCCCC
inchi:
InChI=1/C18H34Cl2O3/c1-2-3-4-8-11-15(21)14-17(20)16(19)12-9-6-5-7-10-13-18(22)23/h15-17,21H,2-14H2,1H3,(H,22,23)


name: Irinotecan
cas: 97682-44-5
chebiid: CHEBI:80630
chemspiderid: 54825
dtxsid: DTXSID1041051
formula: C33H38N4O6
inchikey: UWKQSNNFCGGAFS-XIFFEERXSA-N
norman_susdat_id: NS00004943
pubchem_cid: 60838
smiles: CCc1c2Cn3c(cc4c(COC(=O)[C@]4(O)CC)c3=O)-c2nc2ccc(OC(=O)N3CCC(CC3)N3CCCCC3)cc12
inchi:
InChI=1S/C33H38N4O6/c1-3-22-23-16-21(43-32(40)36-14-10-20(11-15-36)35-12-6-5-7-13-35)8-9-27(23)34-29-24(22)18-37-28(29)17-26-25(30(37)38)19-42-31(39)33(26,41)4-2/h8-9,16-17,20,41H,3-7,10-15,18-19H2,1-2H3/t33-/m0/s1


name: 1-(3-methoxyphenyl)tridecane-1-carbonitrile
cas: 97692-46-1
dtxsid: DTXSID70913739
formula: C21H33NO
inchikey: XQFUAOZYESVVFL-UHFFFAOYSA-N
norman_susdat_id: NS00066169
pubchem_cid: 113414
smiles: N#CC(C=1C=CC=C(OC)C1)CCCCCCCCCCCC
inchi:
InChI=1/C21H33NO/c1-3-4-5-6-7-8-9-10-11-12-14-20(18-22)19-15-13-16-21(17-19)23-2/h13,15-17,20H,3-12,14H2,1-2H3


name: Bis(2-hydroxyethyl)methyl(octadec-9-enyl)ammonium methyl sulphate
cas: 97692-47-2
formula: C23H47NO2
inchikey: GITASUKBZBVXHQ-UHFFFAOYSA-N
norman_susdat_id: NS00065671
pubchem_cid: NA
smiles: O=S(=O)([O-])OC.OCCC(CCO)[NH2+]CCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C23H47NO2.CH4O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-24-23(18-21-25)19-22-26;1-5-6(2,3)4/h9-10,23-26H,2-8,11-22H2,1H3;1H3,(H,2,3,4)


name: Bis[2-(2-hydroxyethoxy)ethyl]methyl(9-octadecenyl)ammonium chloride
cas: 97692-48-3
formula: C27H56NO4
inchikey: ZNPJAFONWOZXBR-UHFFFAOYSA-M
norman_susdat_id: NS00066596
pubchem_cid: NA
smiles: [Cl-].OCCOCC[N+](C)(CCOCCO)CCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C27H56NO4.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(2,20-24-31-26-22-29)21-25-32-27-23-30;/h10-11,29-30H,3-9,12-27H2,1-2H3;1H/q+1;/p-1


name: Ethylbis(2-hydroxyethyl)octadecenylammonium ethyl sulphate
cas: 97692-50-7
formula: C24H50NO2
inchikey: IIUGOWZJKNQDAX-UHFFFAOYSA-M
norman_susdat_id: NS00065694
pubchem_cid: 74019732
smiles: O=S(=O)([O-])OCC.OCC[N+](C=CCCCCCCCCCCCCCCCC)(CC)CCO
inchi:
InChI=1/C24H50NO2.C2H6O4S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(4-2,21-23-26)22-24-27;1-2-6-7(3,4)5/h19-20,26-27H,3-18,21-24H2,1-2H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: Bis(2-hydroxypropyl)methyl-2-[(1-oxooctadecyl)oxy]propylammonium methyl sulphate
cas: 97692-52-9
dtxsid: DTXSID10913738
formula: C28H57NO4
inchikey: PUQSPZAJVKPFJP-UHFFFAOYSA-N
norman_susdat_id: NS00065707
pubchem_cid: 6366628
smiles: O=C(OC(C)C[NH2+]C(CC(O)C)CC(O)C)CCCCCCCCCCCCCCCCC.O=S(=O)([O-])OC
inchi:
InChI=1/C28H57NO4.CH4O4S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28(32)33-26(4)23-29-27(21-24(2)30)22-25(3)31;1-5-6(2,3)4/h24-27,29-31H,5-23H2,1-4H3;1H3,(H,2,3,4)


name: 2,8,10,16,17,23-hexaoxa-5,13,20-triaza-1,9-diborabicyclo[7.7.7]tricosane
cas: 97692-53-0
dtxsid: DTXSID90243126
formula: C12H27B2N3O6
inchikey: WFNKMUAZGYABQK-UHFFFAOYSA-N
norman_susdat_id: NS00066597
pubchem_cid: 113446
smiles: O1B2OCCNCCOB(OCCNCC1)OCCNCCO2
inchi:
InChI=1/C12H27B2N3O6/c1-7-18-13-20-9-3-16-5-11-22-14(19-8-2-15-1)23-12-6-17-4-10-21-13/h15-17H,1-12H2


cas: 97692-54-1
formula: C20H21N3O14S4
inchikey: MXLJSURIDCQDOU-UHFFFAOYSA-K
norman_susdat_id: NS00065723
pubchem_cid: 174487
name:
Trisodium 4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]-6-[methyl[[2-(sulphonatooxy)ethyl]sulphonyl]amino]naphthalene-2-sulphonate

inchi:
InChI=1/C20H21N3O14S4.3Na/c1-23(38(25,26)8-7-37-41(33,34)35)13-4-3-12-9-18(40(30,31)32)19(20(24)15(12)10-13)22-21-16-6-5-14(36-2)11-17(16)39(27,28)29;;;/h3-6,9-11,24H,7-8H2,1-2H3,(H,27,28,29)(H,30,31,32)(H,33,34,35);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])OCCS(=O)(=O)N(C=1C=CC2=CC(=C(N=NC3=CC=C(OC)C=C3S(=O)(=O)[O-])C(O)=C2C1)S(=O)(=O)[O-])C


name: 3-ethylheptyl 2,5-dimethylheptyl phthalate
cas: 97692-55-2
dtxsid: DTXSID50913737
formula: C26H42O4
inchikey: RPEMFIXNDWKIKW-UHFFFAOYSA-N
norman_susdat_id: NS00065724
pubchem_cid: 113415
smiles: O=C(OCCC(CC)CCCC)C=1C=CC=CC1C(=O)OCC(C)CCC(C)CC
inchi:
InChI=1/C26H42O4/c1-6-9-12-22(8-3)17-18-29-25(27)23-13-10-11-14-24(23)26(28)30-19-21(5)16-15-20(4)7-2/h10-11,13-14,20-22H,6-9,12,15-19H2,1-5H3


name: N-(3-thienylcarbonyl)-DL-methionine
cas: 97692-58-5
dtxsid: DTXSID30913735
formula: C10H13NO3S2
inchikey: AQCNLDXJHBQKRG-QMMMGPOBSA-N
norman_susdat_id: NS00065726
pubchem_cid: 21119038
smiles: O=C(O)C(NC(=O)C1=CSC=C1)CCSC
inchi:
InChI=1/C10H13NO3S2/c1-15-4-3-8(10(13)14)11-9(12)7-2-5-16-6-7/h2,5-6,8H,3-4H2,1H3,(H,11,12)(H,13,14)


name: Medrogestone
cas: 977-79-7
chebiid: CHEBI:135446
chemspiderid: 8125459
dtxsid: DTXSID70878637
formula: C23H32O2
inchikey: HCFSGRMEEXUOSS-JXEXPEPMSA-N
norman_susdat_id: NS00010333
pubchem_cid: 9949848
smiles: CC1=C[C@@H]2[C@H](CC[C@]3([C@H]2CC[C@]3(C)C(=O)C)C)[C@@]4(C1=CC(=O)CC4)C
inchi:
InChI=1S/C23H32O2/c1-14-12-17-18(21(3)9-6-16(25)13-20(14)21)7-11-23(5)19(17)8-10-22(23,4)15(2)24/h12-13,17-19H,6-11H2,1-5H3/t17-,18+,19+,21-,22-,23+/m1/s1


name: 1-ethyl-2-[(1-ethyl-2(1H)-quinolylidene)methyl]quinolinium iodide
cas: 977-96-8
chebiid: CHEBI:37993
dtxsid: DTXSID90883627
formula: C23H23N2
inchikey: GMYRVMSXMHEDTL-UHFFFAOYSA-M
norman_susdat_id: NS00042563
pubchem_cid: NA
smiles: [I-].C=1C=CC2=C(C1)C=CC(=CC=3C=CC=4C=CC=CC4[N+]3CC)N2CC
inchi:
InChI=1/C23H23N2.HI/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: IOSARCOL
cas: 97702-82-4
chemspiderid: 8593571
formula: C21H29I3N4O9
inchikey: IWLIBARWYNRYQO-UHFFFAOYSA-N
norman_susdat_id: NS00014341
pubchem_cid: 65850
smiles: CN(CC(O)C(O)C(O)C(O)CO)C(=O)CN(C)C(=O)c1c(I)c(NC(C)=O)c(I)c(NC(C)=O)c1I
inchi:
InChI=1S/C21H29I3N4O9/c1-8(30)25-17-14(22)13(15(23)18(16(17)24)26-9(2)31)21(37)28(4)6-12(34)27(3)5-10(32)19(35)20(36)11(33)7-29/h10-11,19-20,29,32-33,35-36H,5-7H2,1-4H3,(H,25,30)(H,26,31)


name: [4-[3-[(2-ethylhexyl)oxy]-2-hydroxypropoxy]-2-hydroxyphenyl] phenyl ketone
cas: 97721-70-5
dtxsid: DTXSID80913689
formula: C24H32O5
inchikey: YBLOFDISPDJCKP-UHFFFAOYSA-N
norman_susdat_id: NS00065673
pubchem_cid: 113448
smiles: O=C(C=1C=CC=CC1)C2=CC=C(OCC(O)COCC(CC)CCCC)C=C2O
inchi:
InChI=1/C24H32O5/c1-3-5-9-18(4-2)15-28-16-20(25)17-29-21-12-13-22(23(26)14-21)24(27)19-10-7-6-8-11-19/h6-8,10-14,18,20,25-26H,3-5,9,15-17H2,1-2H3


cas: 97721-74-9
formula: C42H30N10O8S
inchikey: IDFXWIIBQGPPRG-UHFFFAOYSA-L
norman_susdat_id: NS00066132
pubchem_cid: NA
name:
Disodium 5-[[4-[[4-[[4-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonato-1-anthryl)amino]phenyl]amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]phenyl]azo]salicylate

inchi:
InChI=1/C42H30N10O8S.2Na/c43-36-33(61(58,59)60)21-31(34-35(36)38(55)29-9-5-4-8-28(29)37(34)54)44-23-10-12-24(13-11-23)46-41-48-40(45-22-6-2-1-3-7-22)49-42(50-41)47-25-14-16-26(17-15-25)51-52-27-18-19-32(53)30(20-27)39(56)57;;/h1-21,44,53H,43H2,(H,56,57)(H,58,59,60)(H3,45,46,47,48,49,50);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2)NC3=NC(=NC(=N3)NC4=CC=C(C=C4)NC=5C=C(C(N)=C6C(=O)C=7C=CC=CC7C(=O)C56)S(=O)(=O)[O-])NC=8C=CC=CC8)=CC=C1O


name: 2-acetamido-2-deoxy-3-O-ß-D-glucopyranuronosyl-ß-D-glucopyranose
cas: 97747-46-1
chebiid: CHEBI:61029
dtxsid: DTXSID10913672
formula: C14H23NO12
inchikey: LJORHONFMDUUHP-VOGNPWKQSA-N
norman_susdat_id: NS00066584
pubchem_cid: 5288907
smiles: O=C(O)C1OC(OC2C(O)C(OC(O)C2NC(=O)C)CO)C(O)C(O)C1O
inchi:
InChI=1/C14H23NO12/c1-3(17)15-5-10(6(18)4(2-16)25-13(5)24)26-14-9(21)7(19)8(20)11(27-14)12(22)23/h4-11,13-14,16,18-21,24H,2H2,1H3,(H,15,17)(H,22,23)


cas: 97752-20-0
formula: C26H29NO2.C6H8O7
inchikey: GTJXPMSTODOYNP-BTKVJIOYSA-L
norman_susdat_id: NS00092803
smiles: CC\C(=C(\c1ccc(OCC[NH+](C)C)cc1)/c2cccc(O)c2)\c3ccccc3.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
name:
(E)-[2-[4-[1-(3-hydroxyphenyl)-2-phenylbut-1-enyl]phenoxy]ethyl]dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate

inchi:
InChI=1/C26H29NO2.C6H8O7/c1-4-25(20-9-6-5-7-10-20)26(22-11-8-12-23(28)19-22)21-13-15-24(16-14-21)29-18-17-27(2)3;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-16,19,28H,4,17-18H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2


name: (Z)-3-[2-hydroxy-3-(9-octadecenyloxy)propoxy]propane-1,2-diol
cas: 97752-26-6
formula: C24H48O5
inchikey: XLJMZTKRCDHLFD-KTKRTIGZSA-N
norman_susdat_id: NS00066137
pubchem_cid: 6437773
smiles: OCC(O)COCC(O)COCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C24H48O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-21-24(27)22-29-20-23(26)19-25/h9-10,23-27H,2-8,11-22H2,1H3


name: 3-amino-7-(dimethylamino)-2-methoxyphenoxazin-5-ium formate
cas: 97752-30-2
formula: C15H16N3O2.CHO2
inchikey: LJDHQYUUYYDITB-UHFFFAOYSA-M
norman_susdat_id: NS00092813
smiles: COc1cc2nc3ccc(cc3[o+]c2cc1N)N(C)C.[O-]C=O
inchi:
InChI=1/C15H16N3O2.CH2O2/c1-18(2)9-4-5-11-14(6-9)20-15-7-10(16)13(19-3)8-12(15)17-11;2-1-3/h4-8H,16H2,1-3H3;1H,(H,2,3)/q+1;/p-1


name: 3-amino-7-(dimethylamino)-2-methoxyphenoxazin-5-ium acetate
cas: 97752-31-3
formula: C15H16N3O2.C2H3O2
inchikey: COOKROHGJIFEBD-UHFFFAOYSA-M
norman_susdat_id: NS00092814
smiles: COc1cc2nc3ccc(cc3[o+]c2cc1N)N(C)C.CC(=O)[O-]
inchi:
InChI=1/C15H16N3O2.C2H4O2/c1-18(2)9-4-5-11-14(6-9)20-15-7-10(16)13(19-3)8-12(15)17-11;1-2(3)4/h4-8H,16H2,1-3H3;1H3,(H,3,4)/q+1;/p-1


name: 6-chloro-4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-1,3-dimethyl-1H-benzotriazolium formate
cas: 97752-32-4
formula: C19H21ClN7.CHO2
inchikey: OXDQSZNXYBCFNZ-UHFFFAOYSA-N
norman_susdat_id: NS00092843
smiles: [O-]C=O.CCN(CCC#N)c1ccc(cc1)N=Nc3cc(Cl)cc2[NH+](C)NN(C)c23
inchi:
InChI=1/C19H22ClN7.CH2O2/c1-4-27(11-5-10-21)16-8-6-15(7-9-16)22-23-17-12-14(20)13-18-19(17)26(3)24-25(18)2;2-1-3/h6-9,12-13,24H,4-5,11H2,1-3H3;1H,(H,2,3)


name: Bis[6-chloro-4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-1,3-dimethyl-1H-benzotriazolium] sulphate
cas: 97752-33-5
formula: C19H21ClN7.1/2O4S
inchikey: UHVHFAXRBBOZIP-UHFFFAOYSA-N
norman_susdat_id: NS00093103
inchi:
InChI=1/2C19H22ClN7.H2O4S/c2*1-4-27(11-5-10-21)16-8-6-15(7-9-16)22-23-17-12-14(20)13-18-19(17)26(3)24-25(18)2;1-5(2,3)4/h2*6-9,12-13,24H,4-5,11H2,1-3H3;(H2,1,2,3,4)

smiles:
[O-]S([O-])(=O)=O.CCN(CCC#N)c1ccc(cc1)N=Nc3cc(Cl)cc2[NH+](C)NN(C)c23.CCN(CCC#N)c1ccc(cc1)N=Nc3cc(Cl)cc2[NH+](C)NN(C)c23


name: 2,2'-[ethylenebis[imino(3-ethoxy-4,1-phenylene)azo]]bis[3-methylthiazolium] sulphate
cas: 97752-40-4
formula: C26H32N8O2S2.O4S
inchikey: WWRWMNINCJHQAP-UHFFFAOYSA-N
norman_susdat_id: NS00092815
smiles: [O-]S([O-])(=O)=O.C[n+]4ccsc4N=Nc3ccc(NCCNc1ccc(cc1OCC)N=Nc2scc[n+]2C)c(OCC)c3
inchi:
InChI=1/C26H30N8O2S2.H2O4S/c1-5-35-23-17-19(29-31-25-33(3)13-15-37-25)7-9-21(23)27-11-12-28-22-10-8-20(18-24(22)36-6-2)30-32-26-34(4)14-16-38-26;1-5(2,3)4/h7-10,13-18H,5-6,11-12H2,1-4H3;(H2,1,2,3,4)


name: D-Gluconic acid, antimony(5+) sodium salt (1:1:1)
cas: 97763-70-7
formula: C6H12O7.Na.Sb
inchikey: RCMASBBVZSCCSU-BHXYKJCMSA-M
norman_susdat_id: NS00092816
smiles: [Na+].OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)[O-].[SbH5+5]
inchi:
InChI=1/C6H12O7.Na.Sb.5H/c7-1-2(8)3(9)4(10)5(11)6(12)13;;;;;;;/h2-5,7-11H,1H2,(H,12,13);;;;;;;/q;+1;+5;;;;;/p-1/rC6H12O7.Na.H5Sb/c7-1-2(8)3(9)4(10)5(11)6(12)13;;/h2-5,7-11H,1H2,(H,12,13);;1H5/q;+1;+5/p-1


name: 6-chloro-4-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-1,3-dimethyl-1H-benzotriazolium acetate
cas: 97765-53-2
formula: C19H21ClN7.C2H3O2
inchikey: NJJPJNVCILTDHV-UHFFFAOYSA-N
norman_susdat_id: NS00092817
smiles: [O-]C(C)=O.CCN(CCC#N)c1ccc(cc1)N=Nc3cc(Cl)cc2[NH+](C)NN(C)c23
inchi:
InChI=1/C19H22ClN7.C2H4O2/c1-4-27(11-5-10-21)16-8-6-15(7-9-16)22-23-17-12-14(20)13-18-19(17)26(3)24-25(18)2;1-2(3)4/h6-9,12-13,24H,4-5,11H2,1-3H3;1H3,(H,3,4)


name: Ethametsulfuron-methyl
cas: 97780-06-8
chebiid: CHEBI:145553
chemspiderid: 82854
dtxsid: DTXSID9034573
formula: C15H18N6O6S1
inchikey: ZINJLDJMHCUBIP-UHFFFAOYSA-N
norman_susdat_id: NS00005321
pubchem_cid: 91756
smiles: CCOc1nc(NC)nc(NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)n1
inchi:
InChI=1S/C15H18N6O6S/c1-4-27-15-19-12(16-2)17-13(20-15)18-14(23)21-28(24,25)10-8-6-5-7-9(10)11(22)26-3/h5-8H,4H2,1-3H3,(H3,16,17,18,19,20,21,23)


name: 4-tritylphenol
cas: 978-86-9
dtxsid: DTXSID8075172
formula: C25H20O
inchikey: NIPKXTKKYSKEON-UHFFFAOYSA-N
norman_susdat_id: NS00042543
pubchem_cid: 70422
smiles: OC1=CC=C(C=C1)C(C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C25H20O/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/h1-19,26H


name: 4-(p-tolylamino)piperidine-4-carboxamide monohydrochloride
cas: 97808-01-0
dtxsid: DTXSID70243260
formula: C13H19N3O
inchikey: RSMQYTZNGSTVPS-UHFFFAOYSA-N
norman_susdat_id: NS00065793
pubchem_cid: 417239
smiles: Cl.O=C(N)C1(NC2=CC=C(C=C2)C)CCNCC1
inchi:
InChI=1/C13H19N3O.ClH/c1-10-2-4-11(5-3-10)16-13(12(14)17)6-8-15-9-7-13;/h2-5,15-16H,6-9H2,1H3,(H2,14,17);1H


name: Ammonium (nonylphenyl) sulphate
cas: 97811-33-1
formula: C15H24O4S.H3N
inchikey: LEJIXFIONXEKDB-UHFFFAOYSA-N
norman_susdat_id: NS00092706
smiles: [NH4+].CCCCCCCCCc1ccccc1OS(=O)(=O)[O-]
inchi:
InChI=1/C15H24O4S.H3N/c1-2-3-4-5-6-7-8-11-14-12-9-10-13-15(14)19-20(16,17)18;/h9-10,12-13H,2-8,11H2,1H3,(H,16,17,18);1H3


name: Ractopamine
cas: 97825-25-7
chebiid: CHEBI:82647
chemspiderid: 50604
dtxsid: DTXSID7048378
formula: C18H23N1O3
inchikey: YJQZYXCXBBCEAQ-UHFFFAOYSA-N
norman_susdat_id: NS00000017
pubchem_cid: 56052
smiles: CC(CCc1ccc(cc1)O)NCC(c2ccc(cc2)O)O
inchi:
InChI=1S/C18H23NO3/c1-13(2-3-14-4-8-16(20)9-5-14)19-12-18(22)15-6-10-17(21)11-7-15/h4-11,13,18-22H,2-3,12H2,1H3


name: Bendamustine
cas: 97832-05-8
chebiid: CHEBI:135515
chemspiderid: 59069
dtxsid: DTXSID2046888
formula: C16H21Cl2N3O2
inchikey: YTKUWDBFDASYHO-UHFFFAOYSA-N
norman_susdat_id: NS00007783
pubchem_cid: 65628
smiles: Cn1c(CCCC(O)=O)nc2cc(ccc12)N(CCCl)CCCl
inchi:
InChI=1S/C16H21Cl2N3O2/c1-20-14-6-5-12(21(9-7-17)10-8-18)11-13(14)19-15(20)3-2-4-16(22)23/h5-6,11H,2-4,7-10H2,1H3,(H,22,23)


name: 1,3-bis(methoxymethyl)-5,5-diphenyl-1,3-diazinane-2,4,6-trione
cas: 97846-21-4
dtxsid: DTXSID70243285
formula: C20H20N2O5
inchikey: RRFBTKHQZRCRSS-UHFFFAOYSA-N
norman_susdat_id: NS00072957
pubchem_cid: 9907289
smiles: COCN1C(=O)N(COC)C(=O)C(c2ccccc2)(c2ccccc2)C1=O
inchi:
InChI=1S/C20H20N2O5/c1-26-13-21-17(23)20(15-9-5-3-6-10-15,16-11-7-4-8-12-16)18(24)22(14-27-2)19(21)25/h3-12H,13-14H2,1-2H3


cas: 97861-83-1
dtxsid: DTXSID00243293
formula: C21H31ClN5
inchikey: MNFOQUKJQCQGCE-UHFFFAOYSA-J
norman_susdat_id: NS00065455
pubchem_cid: 20833823
smiles: O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].ClC1=CC(=CC=C1N=NC2=CC=C(C=C2)N(CC)CCN(C)C)[N+](C)(C)C
name:
3-chloro-4-[[4-[[2-(dimethylamino)ethyl]ethylamino]phenyl]azo]-N,N,N-trimethylanilinium sulphate (1:2)

inchi:
InChI=1/C21H31ClN5.2H2O4S/c1-7-26(15-14-25(2)3)18-10-8-17(9-11-18)23-24-21-13-12-19(16-20(21)22)27(4,5)6;2*1-5(2,3)4/h8-13,16H,7,14-15H2,1-6H3;2*(H2,1,2,3,4)/q+1;;/p-4


cas: 97861-97-7
dtxsid: DTXSID20243295
formula: C22H31N5OS
inchikey: HZPPYPHWOHLKHT-UHFFFAOYSA-L
norman_susdat_id: NS00065515
pubchem_cid: 44151676
smiles: O=C([O-])C.O=C([O-])C.N(=NC=1SC=2C=C(OC)C=CC2[N+]1C)C3=CC=C(C=C3)N(CC)CC[N+](C)(C)C
name:
2-[[4-[ethyl[2-(trimethylammonio)ethyl]amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium diacetate

inchi:
InChI=1/C22H31N5OS.2C2H4O2/c1-7-26(14-15-27(3,4)5)18-10-8-17(9-11-18)23-24-22-25(2)20-13-12-19(28-6)16-21(20)29-22;2*1-2(3)4/h8-13,16H,7,14-15H2,1-6H3;2*1H3,(H,3,4)/q+2;;/p-2


name: 2-[[4-[ethyl[2-(trimethylammonio)ethyl]amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium sulphate
cas: 97861-98-8
formula: C22H31N5OS.O4S
inchikey: CFQDMGTZDYNPHX-UHFFFAOYSA-L
norman_susdat_id: NS00092993
smiles: [O-]S([O-])(=O)=O.C[N+](C)(C)CCN(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC
inchi:
InChI=1/C22H31N5OS.H2O4S/c1-7-26(14-15-27(3,4)5)18-10-8-17(9-11-18)23-24-22-25(2)20-13-12-19(28-6)16-21(20)29-22;1-5(2,3)4/h8-13,16H,7,14-15H2,1-6H3;(H2,1,2,3,4)/q+2;/p-2


cas: 97861-99-9
formula: C22H31N5OS.2CNS
inchikey: TWPFOFBCQAWUTH-UHFFFAOYSA-L
norman_susdat_id: NS00092994
smiles: [S-]C#N.[S-]C#N.C[N+](C)(C)CCN(CC)c1ccc(cc1)N=Nc3sc2cc(ccc2[n+]3C)OC
name:
2-[[4-[ethyl[2-(trimethylammonio)ethyl]amino]phenyl]azo]-6-methoxy-3-methylbenzothiazolium dithiocyanate

inchi:
InChI=1/C22H31N5OS.2CHNS/c1-7-26(14-15-27(3,4)5)18-10-8-17(9-11-18)23-24-22-25(2)20-13-12-19(28-6)16-21(20)29-22;2*2-1-3/h8-13,16H,7,14-15H2,1-6H3;2*3H/q+2;;/p-2


cas: 97862-00-5
formula: C21H31ClN5.CH3O4S
inchikey: HZWHEWKQOKKNBA-UHFFFAOYSA-M
norman_susdat_id: NS00092995
smiles: Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCN(C)C)[N+](C)(C)C.[O-]S(=O)(=O)OC
name:
3-chloro-4-[[4-[[2-(dimethylamino)ethyl]ethylamino]phenyl]azo]-N,N,N-trimethylanilinium methyl sulphate

inchi:
InChI=1/C21H31ClN5.CH4O4S/c1-7-26(15-14-25(2)3)18-10-8-17(9-11-18)23-24-21-13-12-19(16-20(21)22)27(4,5)6;1-5-6(2,3)4/h8-13,16H,7,14-15H2,1-6H3;1H3,(H,2,3,4)/q+1;/p-1


name: 3-chloro-4-[[4-[[2-(dimethylamino)ethyl]ethylamino]phenyl]azo]-N,N,N-trimethylanilinium acetate
cas: 97862-01-6
formula: C21H31ClN5.C2H3O2
inchikey: UOIFNQILCYKXMV-UHFFFAOYSA-M
norman_susdat_id: NS00092996
smiles: Clc2cc(ccc2N=Nc1ccc(cc1)N(CC)CCN(C)C)[N+](C)(C)C.[O-]C(C)=O
inchi:
InChI=1/C21H31ClN5.C2H4O2/c1-7-26(15-14-25(2)3)18-10-8-17(9-11-18)23-24-21-13-12-19(16-20(21)22)27(4,5)6;1-2(3)4/h8-13,16H,7,14-15H2,1-6H3;1H3,(H,3,4)/q+1;/p-1


cas: 97862-02-7
dtxsid: DTXSID00243298
formula: C66H126N6O6
inchikey: HHVLCBVQJXXEFY-UHFFFAOYSA-N
norman_susdat_id: NS00065458
pubchem_cid: NA
smiles: N=1C(=NC(=NC1N(COC)COCCCCCCCCC=CCCCCCCCC)N(COC)COCCCCCCCCC=CCCCCCCCC)N(COC)COCCCCCCCCC=CCCCCCCCC
name:
N,N',N''-tris(methoxymethyl)-N,N',N''-tris[(octadec-9-en-1-yloxy)methyl]-1,3,5-triazine-2,4,6-triamine

inchi:
InChI=1/C66H126N6O6/c1-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-76-61-70(58-73-4)64-67-65(71(59-74-5)62-77-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-2)69-66(68-64)72(60-75-6)63-78-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-3/h28-33H,7-27,34-63H2,1-6H3


name: Hexanoic acid, 2-ethyl-, 32-hydroxy-3,6,9,12,15,18,21,24,27,30-decaoxadotriacont-1-yl ester
cas: 97862-53-8
dtxsid: DTXSID30913614
formula: C30H60O13
inchikey: BOHYYGJGCSQYKW-UHFFFAOYSA-N
norman_susdat_id: NS00065982
pubchem_cid: 44153357
smiles: O=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(CC)CCCC
inchi:
InChI=1/C30H60O13/c1-3-5-6-29(4-2)30(32)43-28-27-42-26-25-41-24-23-40-22-21-39-20-19-38-18-17-37-16-15-36-14-13-35-12-11-34-10-9-33-8-7-31/h29,31H,3-28H2,1-2H3


cas: 97862-54-9
dtxsid: DTXSID70913613
formula: C34H68O15
inchikey: MQKARDMXRPKLSF-UHFFFAOYSA-N
norman_susdat_id: NS00066533
pubchem_cid: 44149900
smiles: O=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(CC)CCCC
name:
Hexanoic acid, 2-ethyl-, 38-hydroxy-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxaoctatriacont-1-yl ester

inchi:
InChI=1/C34H68O15/c1-3-5-6-33(4-2)34(36)49-32-31-48-30-29-47-28-27-46-26-25-45-24-23-44-22-21-43-20-19-42-18-17-41-16-15-40-14-13-39-12-11-38-10-9-37-8-7-35/h33,35H,3-32H2,1-2H3


cas: 97862-55-0
dtxsid: DTXSID10913612
formula: C38H76O17
inchikey: OTPTWIDKFJNKQU-UHFFFAOYSA-N
norman_susdat_id: NS00065553
pubchem_cid: 44150175
smiles: O=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(CC)CCCC
name:
Hexanoic acid, 2-ethyl-, 44-hydroxy-3,6,9,12,15,18,21,24,27,30,33,36,39,42-tetradecaoxatetratetracont-1-yl ester

inchi:
InChI=1/C38H76O17/c1-3-5-6-37(4-2)38(40)55-36-35-54-34-33-53-32-31-52-30-29-51-28-27-50-26-25-49-24-23-48-22-21-47-20-19-46-18-17-45-16-15-44-14-13-43-12-11-42-10-9-41-8-7-39/h37,39H,3-36H2,1-2H3


cas: 97862-56-1
dtxsid: DTXSID50913611
formula: C36H72O16
inchikey: WYVWCFMSYWRPSE-UHFFFAOYSA-N
norman_susdat_id: NS00065983
pubchem_cid: 44154219
smiles: O=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO)C(CC)CCCC
name:
Hexanoic acid, 2-ethyl-, 41-hydroxy-3,6,9,12,15,18,21,24,27,30,33,36,39-tridecaoxahentetracont-1-yl ester

inchi:
InChI=1/C36H72O16/c1-3-5-6-35(4-2)36(38)52-34-33-51-32-31-50-30-29-49-28-27-48-26-25-47-24-23-46-22-21-45-20-19-44-18-17-43-16-15-42-14-13-41-12-11-40-10-9-39-8-7-37/h35,37H,3-34H2,1-2H3


name: Hexanoic acid, 2-ethyl-, 35-hydroxy-3,6,9,12,15,18,21,24,27,30,31-undecaoxapentatriacont-1-yl ester
cas: 97862-57-2
dtxsid: DTXSID90913610
formula: C32H64O14
inchikey: GJHQPVNLGJBWBJ-UHFFFAOYSA-N
norman_susdat_id: NS00065483
pubchem_cid: 44148793
smiles: O=C(OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOOCCCCO)C(CC)CCCC
inchi:
InChI=1/C32H64O14/c1-3-5-8-31(4-2)32(34)44-29-27-42-25-23-40-21-19-38-17-15-36-13-11-35-12-14-37-16-18-39-20-22-41-24-26-43-28-30-46-45-10-7-6-9-33/h31,33H,3-30H2,1-2H3


name: Dithiopyr
cas: 97886-45-8
chebiid: CHEBI:81987
chemspiderid: 82855
dtxsid: DTXSID9032379
formula: C15H16F5N1O2S2
inchikey: YUBJPYNSGLJZPQ-UHFFFAOYSA-N
norman_susdat_id: NS00005133
pubchem_cid: 91757
smiles: CSC(=O)c1c(nc(c(C(=O)SC)c1CC(C)C)C(F)(F)F)C(F)F
inchi:
InChI=1S/C15H16F5NO2S2/c1-6(2)5-7-8(13(22)24-3)10(12(16)17)21-11(15(18,19)20)9(7)14(23)25-4/h6,12H,5H2,1-4H3


name: Tetra-sec-butylphenol
cas: 97889-86-6
dtxsid: DTXSID60913561
formula: C22H38O
inchikey: CBHPYQFMMHSJAU-UHFFFAOYSA-N
norman_susdat_id: NS00066500
pubchem_cid: 21315496
smiles: OC=1C=C(C(=C(C1C(C)CC)C(C)CC)C(C)CC)C(C)CC
inchi:
InChI=1/C22H38O/c1-9-14(5)18-13-19(23)21(16(7)11-3)22(17(8)12-4)20(18)15(6)10-2/h13-17,23H,9-12H2,1-8H3


name: (+)-2,6-diacetyl-1,7,9-trihydroxy-8,9b-dimethyldibenzofuran-3(9bH)-one, monosodium salt
cas: 97889-91-3
dtxsid: DTXSID00913560
formula: C18H16O7
inchikey: GCPHQSMZTZYLKO-UHFFFAOYSA-N
norman_susdat_id: NS00065423
pubchem_cid: NA
smiles: [Na+].O=C1C=C2OC3=C(C(O)=C(C(O)=C3C2(C(O)=C1C(=O)C)C)C)C(=O)C
inchi:
InChI=1/C18H16O7.Na/c1-6-14(22)12(8(3)20)16-13(15(6)23)18(4)10(25-16)5-9(21)11(7(2)19)17(18)24;/h5,22-24H,1-4H3;/q;+1


cas: 97889-92-4
dtxsid: DTXSID50243329
formula: C29H37N2O5S3
inchikey: OYZPNSGLVBKWLO-UHFFFAOYSA-N
norman_susdat_id: NS00065886
pubchem_cid: NA
smiles: O=S(=O)([O-])CCCCN1C(SC2=CC(OC)=C(OC)C=C21)=CC(=CC=3SC=4C=C(C(=CC4[N+]3CC)C)C)CC
name:
2-[2-[[5,6-dimethoxy-3-(4-sulphonatobutyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-3-ethyl-5,6-dimethylbenzothiazolium

inchi:
InChI=1/C29H36N2O5S3/c1-7-21(15-28-30(8-2)22-13-19(3)20(4)14-26(22)37-28)16-29-31(11-9-10-12-39(32,33)34)23-17-24(35-5)25(36-6)18-27(23)38-29/h13-18H,7-12H2,1-6H3


name: Disodium 8-anilino-5-[[4-[(2-chloro-5-sulphonatophenyl)azo]naphthyl]azo]naphthalene-1-sulphonate
cas: 97889-95-7
dtxsid: DTXSID80243332
formula: C32H22ClN5O6S2
inchikey: SADPAWIBXMADIL-UHFFFAOYSA-L
norman_susdat_id: NS00065904
pubchem_cid: 11971438
inchi:
InChI=1/C32H22ClN5O6S2.2Na/c33-25-14-13-21(45(39,40)41)19-30(25)38-36-27-16-15-26(22-9-4-5-10-23(22)27)35-37-28-17-18-29(34-20-7-2-1-3-8-20)32-24(28)11-6-12-31(32)46(42,43)44;;/h1-19,34H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=C(Cl)C(N=NC2=CC=C(N=NC=3C=CC(NC=4C=CC=CC4)=C5C3C=CC=C5S(=O)(=O)[O-])C=6C=CC=CC26)=C1


name: Tetrasodium 4,5-dihydroxy-3,6-bis[(4-nitro-2-sulphonatophenyl)azo]naphthalene-2,7-disulphonate
cas: 97889-99-1
formula: C22H14N6O18S4.4Na
inchikey: SYONHRDCUXRINH-UHFFFAOYSA-J
norman_susdat_id: NS00093307
inchi:
InChI=1/C22H14N6O18S4.4Na/c29-21-18-9(5-16(49(41,42)43)19(21)25-23-12-3-1-10(27(31)32)7-14(12)47(35,36)37)6-17(50(44,45)46)20(22(18)30)26-24-13-4-2-11(28(33)34)8-15(13)48(38,39)40;;;;/h1-8,29-30H,(H,35,36,37)(H,38,39,40)(H,41,42,43)(H,44,45,46);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].[O-][N+](=O)c4ccc(N=Nc1c(O)c3c(cc1S([O-])(=O)=O)cc(c(N=Nc2ccc(cc2S([O-])(=O)=O)[N+]([O-])=O)c3O)S([O-])(=O)=O)c(c4)S([O-])(=O)=O


cas: 97890-01-2
formula: C23H27ClN5O7
inchikey: CUIFFOMNMAXKCL-UHFFFAOYSA-N
norman_susdat_id: NS00065428
pubchem_cid: 113457
smiles: O=C(OC)CCN(C1=CC=C(N=NC2=CC=C(C=C2Cl)[N+](=O)[O-])C(=C1)NC(=O)CC)CCC(=O)OC
name:
Methyl N-[4-[(2-chloro-4-nitrophenyl)azo]-3-[(1-oxopropyl)amino]phenyl]-N-(3-methoxy-3-oxopropyl)-ß-alaninate

inchi:
InChI=1/C23H26ClN5O7/c1-4-21(30)25-20-14-15(28(11-9-22(31)35-2)12-10-23(32)36-3)5-8-19(20)27-26-18-7-6-16(29(33)34)13-17(18)24/h5-8,13-14H,4,9-12H2,1-3H3,(H,25,30)


name: Bis(oxiranylmethyl) 3,4,5,6-tetrachlorocyclohexene-1,2-dicarboxylate
cas: 97890-16-9
dtxsid: DTXSID70913552
formula: C14H14Cl4O6
inchikey: HRRTVPCKXPJNNB-UHFFFAOYSA-N
norman_susdat_id: NS00066508
pubchem_cid: 113466
smiles: O=C(OCC1OC1)C2=C(C(=O)OCC3OC3)C(Cl)C(Cl)C(Cl)C2Cl
inchi:
InChI=1/C14H14Cl4O6/c15-9-7(13(19)23-3-5-1-21-5)8(10(16)12(18)11(9)17)14(20)24-4-6-2-22-6/h5-6,9-12H,1-4H2


name: Bis(2,3-epoxypropyl) 3,4,5,6-tetrachlorophthalate
cas: 97890-17-0
dtxsid: DTXSID10913551
formula: C14H10Cl4O6
inchikey: QSDWFFRGNSHCEP-UHFFFAOYSA-N
norman_susdat_id: NS00065928
pubchem_cid: 113467
smiles: O=C(OCC1OC1)C=2C(Cl)=C(Cl)C(Cl)=C(Cl)C2C(=O)OCC3OC3
inchi:
InChI=1/C14H10Cl4O6/c15-9-7(13(19)23-3-5-1-21-5)8(10(16)12(18)11(9)17)14(20)24-4-6-2-22-6/h5-6H,1-4H2


name: Bis(2,3-epoxypropyl) 3,4,5,6-tetrabromophthalate
cas: 97890-18-1
dtxsid: DTXSID50913550
formula: C14H10Br4O6
inchikey: FQFKYMNKPKSKMX-UHFFFAOYSA-N
norman_susdat_id: NS00065487
pubchem_cid: 3025053
smiles: O=C(OCC1OC1)C=2C(Br)=C(Br)C(Br)=C(Br)C2C(=O)OCC3OC3
inchi:
InChI=1/C14H10Br4O6/c15-9-7(13(19)23-3-5-1-21-5)8(10(16)12(18)11(9)17)14(20)24-4-6-2-22-6/h5-6H,1-4H2


name: Bis(oxiranylmethyl) 3,4,5,6-tetrabromocyclohexene-1,2-dicarboxylate
cas: 97890-19-2
dtxsid: DTXSID40913549
formula: C14H14Br4O6
inchikey: UGYFFARIZMXOAC-UHFFFAOYSA-N
norman_susdat_id: NS00066518
pubchem_cid: 113468
smiles: O=C(OCC1OC1)C2=C(C(=O)OCC3OC3)C(Br)C(Br)C(Br)C2Br
inchi:
InChI=1/C14H14Br4O6/c15-9-7(13(19)23-3-5-1-21-5)8(10(16)12(18)11(9)17)14(20)24-4-6-2-22-6/h5-6,9-12H,1-4H2


name: 20-oxopregna-5,16-dien-3-ß-yl acetate
cas: 979-02-2
chebiid: CHEBI:34163
formula: C23H32O3
inchikey: MZWRIOUCMXPLKV-RFOVXIPZSA-N
norman_susdat_id: NS00079881
smiles: CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC=C4C(=O)C)[C@@H]3CC=C2C1
inchi:
InChI=1/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21H,6,8-13H2,1-4H3


name: Estradiol valerate
cas: 979-32-8
chemspiderid: 3152
dtxsid: DTXSID8023004
formula: C23H32O3
inchikey: RSEPBGGWRJCQGY-UHFFFAOYSA-N
norman_susdat_id: NS00006003
pubchem_cid: 3267
smiles: CCCCC(=O)OC1CCC2C3CCc4cc(O)ccc4C3CCC12C
inchi:
InChI=1S/C23H32O3/c1-3-4-5-22(25)26-21-11-10-20-19-8-6-15-14-16(24)7-9-17(15)18(19)12-13-23(20,21)2/h7,9,14,18-21,24H,3-6,8,10-13H2,1-2H3


name: S-Adenosylhomocysteine
cas: 979-92-0
chebiid: CHEBI:57856
chemspiderid: 21232441
formula: C14H20N6O5S1
inchikey: ZJUKTBDSGOFHSH-WFMPWKQPSA-N
norman_susdat_id: NS00014918
pubchem_cid: NA
smiles: O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
inchi:
InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1


name: Chlorsulfaquinoxaline
cas: 97919-22-7
dtxsid: DTXSID10243340
formula: C14H11ClN4O2S
inchikey: CTSNHMQGVWXIEG-UHFFFAOYSA-N
norman_susdat_id: NS00068680
pubchem_cid: 72462
smiles: Nc1ccc(S(=O)(=O)Nc2cnc3c(Cl)cccc3n2)cc1
inchi:
InChI=1S/C14H11ClN4O2S/c15-11-2-1-3-12-14(11)17-8-13(18-12)19-22(20,21)10-6-4-9(16)5-7-10/h1-8H,16H2,(H,18,19)


cas: 97925-90-1
dtxsid: DTXSID60913541
formula: C18H17N3O10S3
inchikey: MKGCWKNMAFCOPW-UHFFFAOYSA-L
norman_susdat_id: NS00065929
pubchem_cid: NA
smiles: [K+].[K+].O=S(=O)([O-])OCCS(=O)(=O)C=1C=CC=C(N=NC2=C(N)C=CC3=CC(=CC(O)=C32)S(=O)(=O)[O-])C1
name:
Dipotassium 6-amino-4-hydroxy-5-[[3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C18H17N3O10S3.2K/c19-15-5-4-11-8-14(33(25,26)27)10-16(22)17(11)18(15)21-20-12-2-1-3-13(9-12)32(23,24)7-6-31-34(28,29)30;;/h1-5,8-10,22H,6-7,19H2,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2


name: N-[3-[(3-aminopropyl)methylamino]propyl]stearamide
cas: 97952-40-4
dtxsid: DTXSID50243349
formula: C25H53N3O
inchikey: LAMMBWGFDKMRLU-UHFFFAOYSA-N
norman_susdat_id: NS00065958
pubchem_cid: 113472
smiles: O=C(NCCCN(C)CCCN)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C25H53N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(29)27-22-19-24-28(2)23-18-21-26/h3-24,26H2,1-2H3,(H,27,29)


name: N-[3-[(3-aminopropyl)methylamino]propyl]hexadecan-1-amide
cas: 97952-41-5
dtxsid: DTXSID60243350
formula: C23H49N3O
inchikey: KKABUADEUNHDOK-UHFFFAOYSA-N
norman_susdat_id: NS00066635
pubchem_cid: 113473
smiles: O=C(NCCCN(C)CCCN)CCCCCCCCCCCCCCC
inchi:
InChI=1/C23H49N3O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23(27)25-20-17-22-26(2)21-16-19-24/h3-22,24H2,1-2H3,(H,25,27)


name: 2-hexadecylicosyl octanoate
cas: 97952-42-6
dtxsid: DTXSID10913531
formula: C44H88O2
inchikey: JYCUBBLPYZNDAM-UHFFFAOYSA-N
norman_susdat_id: NS00066343
pubchem_cid: 113474
smiles: O=C(OCC(CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC)CCCCCCC
inchi:
InChI=1/C44H88O2/c1-4-7-10-13-15-17-19-21-23-24-26-28-30-32-35-37-40-43(42-46-44(45)41-38-33-12-9-6-3)39-36-34-31-29-27-25-22-20-18-16-14-11-8-5-2/h43H,4-42H2,1-3H3


name: 7-[(2-cyanoethyl)ethylamino]-3-(ethylmethylamino)-2-methylphenoxazin-5-ium chloride
cas: 97952-43-7
formula: C21H25N4O.Cl
inchikey: IOGPPNRGFCXPJF-UHFFFAOYSA-M
norman_susdat_id: NS00093190
smiles: [Cl-].CCN(C)c1cc2[o+]c3cc(ccc3nc2cc1C)N(CC)CCC#N
inchi:
InChI=1/C21H25N4O.ClH/c1-5-24(4)19-14-21-18(12-15(19)3)23-17-9-8-16(13-20(17)26-21)25(6-2)11-7-10-22;/h8-9,12-14H,5-7,11H2,1-4H3;1H/q+1;/p-1


name: 7-[(2-cyanoethyl)ethylamino]-3-(ethylmethylamino)-2-methylphenoxazin-5-ium acetate
cas: 97952-44-8
formula: C21H25N4O.C2H3O2
inchikey: SEZXTGNGRLRIOJ-UHFFFAOYSA-M
norman_susdat_id: NS00093356
smiles: CCN(C)c1cc2[o+]c3cc(ccc3nc2cc1C)N(CC)CCC#N.CC(=O)[O-]
inchi:
InChI=1/C21H25N4O.C2H4O2/c1-5-24(4)19-14-21-18(12-15(19)3)23-17-9-8-16(13-20(17)26-21)25(6-2)11-7-10-22;1-2(3)4/h8-9,12-14H,5-7,11H2,1-4H3;1H3,(H,3,4)/q+1;/p-1


name: 7-[(2-cyanoethyl)ethylamino]-3-(ethylmethylamino)-2-methylphenoxazin-5-ium formate
cas: 97952-45-9
formula: C21H25N4O.CHO2
inchikey: ACJLWHXJMCBSPX-UHFFFAOYSA-M
norman_susdat_id: NS00092925
smiles: CCN(C)c1cc2[o+]c3cc(ccc3nc2cc1C)N(CC)CCC#N.[O-]C=O
inchi:
InChI=1/C21H25N4O.CH2O2/c1-5-24(4)19-14-21-18(12-15(19)3)23-17-9-8-16(13-20(17)26-21)25(6-2)11-7-10-22;2-1-3/h8-9,12-14H,5-7,11H2,1-4H3;1H,(H,2,3)/q+1;/p-1


cas: 97953-20-3
chemspiderid: 57494596
dtxsid: DTXSID20243351
formula: C14H26O8
inchi: InChI=1S/C14H26O8/c1-11(2)12(20)22-10-14(6-18,7-19)9-21-8-13(3-15,4-16)5-17/h15-19H,1,3-10H2,2H3
inchikey: ARLZPYTZGIRZMB-UHFFFAOYSA-N
norman_susdat_id: NS00040523
pubchem_cid: 44144849
smiles: CC(=C)C(=O)OCC(CO)(CO)COCC(CO)(CO)CO
name:
2-Propenoic acid, 2-methyl-, ester with 2,2'-(oxybis(methylene))bis(2-(hydroxymethyl)-1,3-propanediol)


name: Bis(2,4-dichlorobenzyl)dimethylammonium chloride
cas: 97975-94-5
dtxsid: DTXSID30913513
formula: C16H16Cl4N
inchikey: NQPUHJCCECUSEO-UHFFFAOYSA-M
norman_susdat_id: NS00066689
pubchem_cid: 3025058
smiles: [Cl-].ClC1=CC=C(C(Cl)=C1)C[N+](C)(C)CC2=CC=C(Cl)C=C2Cl
inchi:
InChI=1/C16H16Cl4N.ClH/c1-21(2,9-11-3-5-13(17)7-15(11)19)10-12-4-6-14(18)8-16(12)20;/h3-8H,9-10H2,1-2H3;1H/q+1;/p-1


name: 2,2'-thiobis[4-tert-pentylphenol]
cas: 98-26-0
dtxsid: DTXSID10243360
formula: C22H30O2S
inchikey: JEBLAEFSCWNZMT-UHFFFAOYSA-N
norman_susdat_id: NS00041039
pubchem_cid: 66813
smiles: OC1=CC=C(C=C1SC2=CC(=CC=C2O)C(C)(C)CC)C(C)(C)CC
inchi:
InChI=1/C22H30O2S/c1-7-21(3,4)15-9-11-17(23)19(13-15)25-20-14-16(10-12-18(20)24)22(5,6)8-2/h9-14,23-24H,7-8H2,1-6H3


name: C.I. Pigment Red 122
cas: 980-26-7
chemspiderid: 63602
dtxsid: DTXSID2052655
formula: C22H16N2O2
inchikey: TXWSZJSDZKWQAU-UHFFFAOYSA-N
norman_susdat_id: NS00009167
pubchem_cid: 70423
smiles: Cc1ccc2[nH]c3cc4c(cc3c(=O)c2c1)[nH]c1ccc(C)cc1c4=O
inchi:
InChI=1S/C22H16N2O2/c1-11-3-5-17-13(7-11)21(25)15-9-20-16(10-19(15)23-17)22(26)14-8-12(2)4-6-18(14)24-20/h3-10H,1-2H3,(H,23,25)(H,24,26)


name: Brompheniramine maleate
cas: 980-71-2
chebiid: CHEBI:3184
dtxsid: DTXSID2052657
formula: C20H23BrN2O4
inchikey: SRGKFVAASLQVBO-BTJKTKAUSA-N
norman_susdat_id: NS00076241
smiles: OC(=O)C=C/C(O)=O.CN(C)CCC(C1=CC=C(Br)C=C1)C1=NC=CC=C1
inchi:
InChI=1/C16H19BrN2.C4H4O4/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13;5-3(6)1-2-4(7)8/h3-9,11,15H,10,12H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-


name: ICI 164384
cas: 98007-99-9
dtxsid: DTXSID3022376
formula: C34H55NO3
inchikey: BVVFOLSZMQVDKV-KXQIQQEYSA-N
norman_susdat_id: NS00069569
pubchem_cid: 104772
smiles: CCCCN(C)C(=O)CCCCCCCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@@H]21
inchi:
InChI=1S/C34H55NO3/c1-4-5-22-35(3)32(38)15-13-11-9-7-6-8-10-12-14-25-23-26-24-27(36)16-17-28(26)29-20-21-34(2)30(33(25)29)18-19-31(34)37/h16-17,24-25,29-31,33,36-37H,4-15,18-23H2,1-3H3/t25-,29-,30+,31+,33-,34+/m1/s1


name: Fulvestrant sulfone
cas: 98008-06-1
chemspiderid: 8636979
dtxsid: DTXSID90243368
formula: C32H47F5O4S1
inchikey: NQYWBGDKCPOMGL-LSVBPWPTSA-N
norman_susdat_id: NS00019364
pubchem_cid: 10461567
smiles: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)(=O)CCCC(F)(F)C(F)(F)F)CC1=C3C=CC(O)=C1
inchi:
InChI=1S/C32H47F5O4S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-42(40,41)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3


name: 2,2,3,3,4,4,4-Heptafluoro-1-phenylbutyl diphenyl phosphate
cas: 98010-21-0
dtxsid: DTXSID80896125
formula: C22H16F7O4P
inchikey: YFFAYDLVDYQFCZ-UHFFFAOYSA-N
norman_susdat_id: NS00111790
smiles: FC(F)(F)C(F)(F)C(F)(F)C(OP(=O)(Oc1ccccc1)Oc1ccccc1)c1ccccc1
inchi:
InChI=1/C22H16F7O4P/c23-20(24,21(25,26)22(27,28)29)19(16-10-4-1-5-11-16)33-34(30,31-17-12-6-2-7-13-17)32-18-14-8-3-9-15-18/h1-15,19H


name: Compound vii
cas: 98033-68-2
chebiid: CHEBI:47727
dtxsid: DTXSID50913499
formula: C18H21ClN2O3
inchikey: FCSKOFQQCWLGMV-UHFFFAOYSA-N
norman_susdat_id: NS00068539
pubchem_cid: 1788
smiles: Cc1cc(CCCCCOc2ccc(C3=NCCO3)cc2Cl)on1
inchi:
InChI=1S/C18H21ClN2O3/c1-13-11-15(24-21-13)5-3-2-4-9-22-17-7-6-14(12-16(17)19)18-20-8-10-23-18/h6-7,11-12H,2-5,8-10H2,1H3


name: 5-{5-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl}-3-methyl-1,2-oxazole
cas: 98034-30-1
chebiid: CHEBI:10028
dtxsid: DTXSID30243387
formula: C18H22N2O3
inchikey: IWZDYGHUSXWPPM-UHFFFAOYSA-N
norman_susdat_id: NS00068540
pubchem_cid: 1786
smiles: Cc1cc(CCCCCOc2ccc(C3=NCCO3)cc2)on1
inchi:
InChI=1S/C18H22N2O3/c1-14-13-17(23-20-14)5-3-2-4-11-21-16-8-6-15(7-9-16)18-19-10-12-22-18/h6-9,13H,2-5,10-12H2,1H3


name: Fomidacillin
cas: 98048-07-8
chemspiderid: 65019
formula: C24H28N6O10S1
inchikey: BLHZPPIRNRDRSC-HSDAMQNGSA-N
norman_susdat_id: NS00011634
pubchem_cid: 72025
smiles: CCN1CCN(C(=O)C1=O)C(=O)N[C@H](c2ccc(c(c2)O)O)C(=O)N[C@]3([C@@H]4N(C3=O)[C@H](C(S4)(C)C)C(=O)O)NC=O
inchi:
InChI=1S/C24H28N6O10S/c1-4-28-7-8-29(18(36)17(28)35)22(40)26-14(11-5-6-12(32)13(33)9-11)16(34)27-24(25-10-31)20(39)30-15(19(37)38)23(2,3)41-21(24)30/h5-6,9-10,14-15,21,32-33H,4,7-8H2,1-3H3,(H,25,31)(H,26,40)(H,27,34)(H,37,38)/t14-,15+,21-,24-/m1/s1


name: Fosinopril
cas: 98048-97-6
chebiid: CHEBI:5163
chemspiderid: 50469
dtxsid: DTXSID1023079
formula: C30H46N1O7P1
inchikey: BIDNLKIUORFRQP-FKDWWROVSA-N
norman_susdat_id: NS00000616
pubchem_cid: 55891
smiles: O=C(CP(=O)(CCCCc1ccccc1)OC(OC(=O)CC)C(C)C)N2C[C@@H](C[C@H]2C(O)=O)C3CCCCC3
inchi:
InChI=1S/C30H46NO7P/c1-4-28(33)37-30(22(2)3)38-39(36,18-12-11-15-23-13-7-5-8-14-23)21-27(32)31-20-25(19-26(31)29(34)35)24-16-9-6-10-17-24/h5,7-8,13-14,22,24-26,30H,4,6,9-12,15-21H2,1-3H3,(H,34,35)/t25-,26+,30?,39?/m1/s1


name: Potassium pentadecafluorooctanoate--water (1/1/2)
cas: 98065-31-7
dtxsid: DTXSID90896631
formula: C8H4F15KO4
inchikey: CPKHCCMBWZVUEX-UHFFFAOYSA-M
norman_susdat_id: NS00112191
smiles: O.O.[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.2H2O/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);;2*1H2/q;+1;;/p-1


name: 2-octyldodecyl 3,5,5-trimethylhexanoate
cas: 98072-02-7
dtxsid: DTXSID70913476
formula: C29H58O2
inchikey: ORHIPTVQARSOPI-UHFFFAOYSA-N
norman_susdat_id: NS00065752
pubchem_cid: 113426
smiles: O=C(OCC(CCCCCCCC)CCCCCCCCCC)CC(C)CC(C)(C)C
inchi:
InChI=1/C29H58O2/c1-7-9-11-13-15-16-18-20-22-27(21-19-17-14-12-10-8-2)25-31-28(30)23-26(3)24-29(4,5)6/h26-27H,7-25H2,1-6H3


name: 1-phenyl-2,5,8,11,14-pentaoxahexadecan-16-yl dihydrogen phosphate
cas: 98072-04-9
formula: C17H29O9P
inchikey: OWCBSPOKYFVTBD-UHFFFAOYSA-N
norman_susdat_id: NS00093141
smiles: OP(=O)(O)OCCOCCOCCOCCOCCOCc1ccccc1
inchi:
InChI=1/C17H29O9P/c18-27(19,20)26-15-14-24-11-10-22-7-6-21-8-9-23-12-13-25-16-17-4-2-1-3-5-17/h1-5H,6-16H2,(H2,18,19,20)


name: Bis[1-phenyl-2,5,8,11,14-pentaoxahexadecan-16-yl] hydrogen phosphate
cas: 98072-05-0
dtxsid: DTXSID40243419
formula: C34H55O14P
inchikey: CXZCZDXBXGKRQH-UHFFFAOYSA-N
norman_susdat_id: NS00065753
pubchem_cid: 113482
smiles: O=P(O)(OCCOCCOCCOCCOCCOCC=1C=CC=CC1)OCCOCCOCCOCCOCCOCC=2C=CC=CC2
inchi:
InChI=1/C34H55O14P/c35-49(36,47-29-27-43-21-19-39-13-11-37-15-17-41-23-25-45-31-33-7-3-1-4-8-33)48-30-28-44-22-20-40-14-12-38-16-18-42-24-26-46-32-34-9-5-2-6-10-34/h1-10H,11-32H2,(H,35,36)


name: Triethyl[2-[(1-oxooctyl)oxy]ethyl]ammonium ethyl sulphate
cas: 98072-08-3
dtxsid: DTXSID10243421
formula: C16H34NO2
inchikey: UVMDHJDDPXKIIO-UHFFFAOYSA-M
norman_susdat_id: NS00066281
pubchem_cid: 3025062
smiles: O=C(OCC[N+](CC)(CC)CC)CCCCCCC.O=S(=O)([O-])OCC
inchi:
InChI=1/C16H34NO2.C2H6O4S/c1-5-9-10-11-12-13-16(18)19-15-14-17(6-2,7-3)8-4;1-2-6-7(3,4)5/h5-15H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: Triethyl[2-[(1-oxodecyl)oxy]ethyl]ammonium ethyl sulphate
cas: 98072-10-7
dtxsid: DTXSID70243422
formula: C18H38NO2
inchikey: FJDKBYFACUUWKN-UHFFFAOYSA-M
norman_susdat_id: NS00066282
pubchem_cid: 3025064
smiles: O=C(OCC[N+](CC)(CC)CC)CCCCCCCCC.O=S(=O)([O-])OCC
inchi:
InChI=1/C18H38NO2.C2H6O4S/c1-5-9-10-11-12-13-14-15-18(20)21-17-16-19(6-2,7-3)8-4;1-2-6-7(3,4)5/h5-17H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: Octadecenoic acid, compound with 2,2'-(octadec-9-enylimino)diethanol (1:1)
cas: 98072-11-8
formula: C22H45NO2.C18H34O2
inchikey: CUZODBVKBYQDFC-UHFFFAOYSA-N
norman_susdat_id: NS00092926
smiles: OCCN(CCCCCCCCC=CCCCCCCCC)CCO.CCCCCCCCCCCCCCCC=CC(O)=O
inchi:
InChI=1/C22H45NO2.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,24-25H,2-8,11-22H2,1H3;16-17H,2-15H2,1H3,(H,19,20)


name: Oleic acid, compound with (Z)-2,2'-(octadec-9-enylimino)diethanol (1:1)
cas: 98072-18-5
formula: C22H45NO2.C18H34O2
inchikey: AOXUQBZMYURLRD-QZOPMXJLSA-N
norman_susdat_id: NS00093150
smiles: CCCCCCCC\C=C/CCCCCCCCN(CCO)CCO.CCCCCCCC\C=C/CCCCCCCC(=O)O
inchi:
InChI=1/C22H45NO2.C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21-24)20-22-25;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10,24-25H,2-8,11-22H2,1H3;9-10H,2-8,11-17H2,1H3,(H,19,20)


name: Chloro(pentyloxy)magnesium
cas: 98072-19-6
formula: C5H11ClMgO
inchikey: PEMYLNJXGJTSKH-UHFFFAOYSA-M
norman_susdat_id: NS00093348
smiles: CCCCCO[Mg]Cl
inchi:
InChI=1/C5H11O.ClH.Mg/c1-2-3-4-5-6;;/h2-5H2,1H3;1H;/q-1;;+2/p-1/rC5H11ClMgO/c1-2-3-4-5-8-7-6/h2-5H2,1H3


name: Isopropyl 9,10-bis(chlorothio)octadecanoate
cas: 98072-21-0
dtxsid: DTXSID10913470
formula: C21H40Cl2O2S2
inchikey: BDLLOACFERESGW-UHFFFAOYSA-N
norman_susdat_id: NS00066620
pubchem_cid: 3025066
smiles: O=C(OC(C)C)CCCCCCCC(SCl)C(SCl)CCCCCCCC
inchi:
InChI=1/C21H40Cl2O2S2/c1-4-5-6-7-9-12-15-19(26-22)20(27-23)16-13-10-8-11-14-17-21(24)25-18(2)3/h18-20H,4-17H2,1-3H3


name: Bis[[3-(methacryloyloxy)-2,2-dimethylpropyl]dimethylammonium] sulphate
cas: 98072-24-3
formula: C11H21NO2.1/2H2O4S
inchikey: FBCGOLDPDYAXOQ-UHFFFAOYSA-N
norman_susdat_id: NS00093151
smiles: C[NH+](C)CC(C)(C)COC(=O)C(=C)C.C[NH+](C)CC(C)(C)COC(=O)C(=C)C.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/2C11H21NO2.H2O4S/c2*1-9(2)10(13)14-8-11(3,4)7-12(5)6;1-5(2,3)4/h2*1,7-8H2,2-6H3;(H2,1,2,3,4)


name: Ethyl (17-azido-3ß,16a-dihydroxypregn-5-en-20-ylidene)carbazate
cas: 98072-26-5
formula: C24H38N5O4
inchikey: STCBBMFHAJQVTA-BLFIMETGSA-N
norman_susdat_id: NS00066621
pubchem_cid: NA
smiles: [N-]=[N+]=NC1(C(=NNC(=O)OCC)C)C(O)CC2C3CC=C4CC(O)CCC4(C)C3CCC21C
inchi:
InChI=1/C24H37N5O4/c1-5-33-21(32)27-26-14(2)24(28-29-25)20(31)13-19-17-7-6-15-12-16(30)8-10-22(15,3)18(17)9-11-23(19,24)4/h6,16-20,30-31H,5,7-13H2,1-4H3,(H,27,32)


name: Lomefloxacin
cas: 98079-51-7
chebiid: CHEBI:116278
chemspiderid: 3811
dtxsid: DTXSID4040680
formula: C17H19F2N3O3
inchikey: ZEKZLJVOYLTDKK-UHFFFAOYSA-N
norman_susdat_id: NS00007577
pubchem_cid: 3948
smiles: CCn1cc(C(O)=O)c(=O)c2cc(F)c(N3CCNC(C)C3)c(F)c12
inchi:
InChI=1S/C17H19F2N3O3/c1-3-21-8-11(17(24)25)16(23)10-6-12(18)15(13(19)14(10)21)22-5-4-20-9(2)7-22/h6,8-9,20H,3-5,7H2,1-2H3,(H,24,25)


name: N,N'-(3-methylbutylidene)bismethacrylamide
cas: 98088-95-0
dtxsid: DTXSID60243431
formula: C13H22N2O2
inchikey: WMCQRSRSFMERMW-UHFFFAOYSA-N
norman_susdat_id: NS00066676
pubchem_cid: 113490
smiles: O=C(NC(NC(=O)C(=C)C)CC(C)C)C(=C)C
inchi:
InChI=1/C13H22N2O2/c1-8(2)7-11(14-12(16)9(3)4)15-13(17)10(5)6/h8,11H,3,5,7H2,1-2,4,6H3,(H,14,16)(H,15,17)


name: 9ß,11ß-epoxy-17,21-dihydroxy-16ß-methylpregna-1,4-diene-3,20-dione
cas: 981-34-0
formula: C22H28O5
inchikey: GBDXNHBVYAMODG-DEGNENOVSA-N
norman_susdat_id: NS00079643
smiles: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]35O[C@H]5C[C@]2(C)[C@@]1(O)C(=O)CO
inchi:
InChI=1/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: 7-Chloro-6-fluoro-1-(4-fluorophenyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
cas: 98105-79-4
chemspiderid: 51692
dtxsid: DTXSID90275624
formula: C16H8Cl1F2N1O3
inchikey: FBAMWRYINJFGPJ-UHFFFAOYSA-N
norman_susdat_id: NS00003120
pubchem_cid: 57338
smiles: OC(=O)c1cn(-c2ccc(F)cc2)c2cc(Cl)c(F)cc2c1=O
inchi:
InChI=1S/C16H8ClF2NO3/c17-12-6-14-10(5-13(12)19)15(21)11(16(22)23)7-20(14)9-3-1-8(18)2-4-9/h1-7H,(H,22,23)


name: Sarafloxacin
cas: 98105-99-8
chebiid: CHEBI:94493
chemspiderid: 50727
dtxsid: DTXSID8048494
formula: C20H17F2N3O3
inchikey: XBHBWNFJWIASRO-UHFFFAOYSA-N
norman_susdat_id: NS00000677
pubchem_cid: 25273230
smiles: C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F
inchi:
InChI=1S/C20H17F2N3O3/c21-12-1-3-13(4-2-12)25-11-15(20(27)28)19(26)14-9-16(22)18(10-17(14)25)24-7-5-23-6-8-24/h1-4,9-11,23H,5-8H2,(H,27,28)


name: Difloxacin
cas: 98106-17-3
chebiid: CHEBI:4537
chemspiderid: 50725
dtxsid: DTXSID5048348
formula: C21H19F2N3O3
inchikey: NOCJXYPHIIZEHN-UHFFFAOYSA-N
norman_susdat_id: NS00000692
pubchem_cid: 40473223
smiles: CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F
inchi:
InChI=1S/C21H19F2N3O3/c1-24-6-8-25(9-7-24)19-11-18-15(10-17(19)23)20(27)16(21(28)29)12-26(18)14-4-2-13(22)3-5-14/h2-5,10-12H,6-9H2,1H3,(H,28,29)


name: Tetraaluminium zirconium tetrachloride dodecahydroxide
cas: 98106-52-6
formula: Al4Cl4H12O12Zr
inchi: InChI=1/4Al.4ClH.12H2O.Zr/h;;;;4*1H;12*1H2;/q4*+3;;;;;;;;;;;;;;;;;+2/p-16
inchikey: DVAFIHDJDXVXFF-UHFFFAOYSA-A
norman_susdat_id: NS00093385
smiles:
[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[Cl-].[Cl-].[Cl-].[Cl-].[Zr+2]


name: Tetraaluminium zirconium trichloride tridecahydroxide
cas: 98106-53-7
formula: Al4Cl3H13O13Zr
inchi: InChI=1/4Al.3ClH.13H2O.Zr/h;;;;3*1H;13*1H2;/q4*+3;;;;;;;;;;;;;;;;;+2/p-16
inchikey: VLTIAUAQCDJSCV-UHFFFAOYSA-A
norman_susdat_id: NS00093222
smiles:
[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[Cl-].[Cl-].[Cl-].[Zr+2]


name: Octaaluminium zirconium pentachloride tricosahydroxide
cas: 98106-54-8
formula: Al8Cl5H23O23Zr
inchi: InChI=1/8Al.5ClH.23H2O.Zr/h;;;;;;;;5*1H;23*1H2;/q8*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+2/p-28
inchikey: KPAMXRAGRWFIBY-UHFFFAOYSA-A
norman_susdat_id: NS00093002
smiles:
[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Zr+2]


name: Octaaluminium zirconium octachloride icosahydroxide
cas: 98106-55-9
formula: Al8Cl8H20O20Zr
inchi: InChI=1/8Al.8ClH.20H2O.Zr/h;;;;;;;;8*1H;20*1H2;/q8*+3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;+2/p-28
inchikey: MRFCJUZTBDTUMT-UHFFFAOYSA-A
norman_susdat_id: NS00093086
smiles:
[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Al+3].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Zr+2]


name: Brevetoxin A
cas: 98112-41-5
chebiid: CHEBI:61250
dtxsid: DTXSID60879996
formula: C49H70O13
inchikey: MGVIMUPHKPHTKF-HQUFVKSZSA-N
norman_susdat_id: NS00075603
inchi:
InChI=1/C49H70O13/c1-26-17-36-39(22-45(52)58-36)57-44-21-38-40(62-48(44,4)23-26)18-28(3)46-35(55-38)11-7-6-10-31-32(59-46)12-8-14-34-33(54-31)13-9-15-43-49(5,61-34)24-42-37(56-43)20-41-47(60-42)30(51)19-29(53-41)16-27(2)25-50/h6-8,14,25-26,28-44,46-47,51H,2,9-13,15-24H2,1,3-5H3/b7-6-,14-8-/t26-,28+,29-,30+,31-,32+,33+,34-,35+,36+,37+,38-,39-,40+,41-,42-,43-,44+,46-,47+,48-,49+/s2

smiles:
[H][C@@]12CC(=O)O[C@@]1([H])C[C@@H](C)C[C@@]1(C)O[C@@]3([H])C[C@H](C)[C@@]4([H])O[C@@]5([H])CC=C/[C@@]6([H])O[C@@]7(C)C[C@@]8([H])O[C@@]9([H])[C@@H](O)C[C@@]([H])(CC(=C)C=O)O[C@]9([H])C[C@]8([H])O[C@]7([H])CCC[C@]6([H])O[C@]5([H])CC=C/C[C@]4([H])O[C@]3([H])C[C@]1([H])O2


name: 1-Tetradecanol, phosphate, compd. with 2-aminoethanol
cas: 98143-43-2
formula: -
inchikey: QUBKKFSRLSGSBR-UHFFFAOYSA-L
norman_susdat_id: NS00093003
smiles: CCCCCCCCCCCCCCOP(=O)([O-])[O-].NCCO
inchi:
InChI=1/C14H31O4P.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;3-1-2-4/h2-14H2,1H3,(H2,15,16,17);4H,1-3H2/p-2


name: 1-Tetradecanol, phosphate, compd. with 2,2'-iminobis[ethanol]
cas: 98143-44-3
formula: -
inchikey: ILRIOLRTHYIKHL-UHFFFAOYSA-L
norman_susdat_id: NS00093229
smiles: CCCCCCCCCCCCCCOP(=O)([O-])[O-].OCCNCCO
inchi:
InChI=1/C14H31O4P.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;6-3-1-5-2-4-7/h2-14H2,1H3,(H2,15,16,17);5-7H,1-4H2/p-2


name: 1-Eicosanol, phosphate, compd. with 2-aminoethanol
cas: 98143-45-4
formula: -
inchikey: NELQZYXUQISSTQ-UHFFFAOYSA-L
norman_susdat_id: NS00093004
smiles: CCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].NCCO
inchi:
InChI=1/C20H43O4P.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23;3-1-2-4/h2-20H2,1H3,(H2,21,22,23);4H,1-3H2/p-2


name: 1-Eicosanol, phosphate, compd. with 2,2'-iminobis[ethanol]
cas: 98143-46-5
formula: -
inchikey: KZDPBMZYLHSSLB-UHFFFAOYSA-L
norman_susdat_id: NS00093005
smiles: CCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].OCCNCCO
inchi:
InChI=1/C20H43O4P.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23;6-3-1-5-2-4-7/h2-20H2,1H3,(H2,21,22,23);5-7H,1-4H2/p-2


name: 1-Eicosanol, phosphate, compd. with 2,2',2''-nitrilotris[ethanol]
cas: 98143-47-6
formula: -
inchikey: TUHNBUBFWBXSBX-UHFFFAOYSA-L
norman_susdat_id: NS00093006
smiles: CCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].OCCN(CCO)CCO
inchi:
InChI=1/C20H43O4P.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-25(21,22)23;8-4-1-7(2-5-9)3-6-10/h2-20H2,1H3,(H2,21,22,23);8-10H,1-6H2/p-2


name: 1-Docosanol, phosphate, compd. with 2-aminoethanol
cas: 98143-48-7
formula: -
inchikey: GSXAUNRJTKBWLM-UHFFFAOYSA-L
norman_susdat_id: NS00093230
smiles: CCCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].NCCO
inchi:
InChI=1/C22H47O4P.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-27(23,24)25;3-1-2-4/h2-22H2,1H3,(H2,23,24,25);4H,1-3H2/p-2


name: 1-Docosanol, phosphate, compd. with 2,2'-iminobis[ethanol]
cas: 98143-49-8
formula: -
inchikey: TYGPWBGKQRATMU-UHFFFAOYSA-L
norman_susdat_id: NS00093388
smiles: CCCCCCCCCCCCCCCCCCCCCCOP(=O)([O-])[O-].OCCNCCO
inchi:
InChI=1/C22H47O4P.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-27(23,24)25;6-3-1-5-2-4-7/h2-22H2,1H3,(H2,23,24,25);5-7H,1-4H2/p-2


name: 1-Docosanol, phosphate, compd. with 2,2',2''-nitrilotris[ethanol]
cas: 98143-50-1
dtxsid: DTXSID20243477
formula: C22H47O4P
inchikey: HRDAGJDGNCBLFC-UHFFFAOYSA-L
norman_susdat_id: NS00065975
pubchem_cid: 89994
smiles: O=P([O-])([O-])OCCCCCCCCCCCCCCCCCCCCCC.OCCN(CCO)CCO
inchi:
InChI=1/C22H47O4P.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-26-27(23,24)25;8-4-1-7(2-5-9)3-6-10/h2-22H2,1H3,(H2,23,24,25);8-10H,1-6H2/p-2


cas: 98145-68-7
chemspiderid: 2323171
dtxsid: DTXSID20913426
formula: C17H21Cl2N3O7
inchikey: ITLKERMFQPDNAG-UHFFFAOYSA-N
norman_susdat_id: NS00001529
pubchem_cid: 3062470
smiles: OCC(NC(=O)C(Cl)Cl)C(OC(=O)CN1CCOCC1)c1ccc(cc1)[N+]([O-])=O
name:
2,2-Dichloro-N-[3-hydroxy-1-{[(morpholin-4-yl)acetyl]oxy}-1-(4-nitrophenyl)propan-2-yl]ethanimidic acid (Chloramphenicol 4-morpholineacetate)

inchi:
InChI=1S/C17H21Cl2N3O7/c18-16(19)17(25)20-13(10-23)15(11-1-3-12(4-2-11)22(26)27)29-14(24)9-21-5-7-28-8-6-21/h1-4,13,15-16,23H,5-10H2,(H,20,25)


name: Bis(1H,1H,6H-perfluorohexyl)-2-sulfobutanedioate sodium salt
cas: 98151-22-5
dtxsid: DTXSID90893307
formula: C16H9F20NaO7S
inchikey: QATHNQHNLDZOBJ-UHFFFAOYSA-M
norman_susdat_id: NS00112047
inchi:
InChI=1/C16H10F20O7S.Na/c17-7(18)11(25,26)15(33,34)13(29,30)9(21,22)2-42-5(37)1-4(44(39,40)41)6(38)43-3-10(23,24)14(31,32)16(35,36)12(27,28)8(19)20;/h4,7-8H,1-3H2,(H,39,40,41);/q;+1/p-1

smiles:
[Na+].[O-]S(=O)(=O)C(CC(=O)OCC(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


name: Heptyl 12-hydroxyoleate
cas: 98167-55-6
formula: C25H48O3
inchikey: JYZMEVOAJGJTKL-LGMDPLHJSA-N
norman_susdat_id: NS00066681
pubchem_cid: 6437779
smiles: O=C(OCCCCCCC)CCCCCCCC=CCC(O)CCCCCC
inchi:
InChI=1/C25H48O3/c1-3-5-7-15-19-23-28-25(27)22-18-14-12-10-9-11-13-17-21-24(26)20-16-8-6-4-2/h13,17,24,26H,3-12,14-16,18-23H2,1-2H3


name: 16-methyl-20-oxopregna-5,16-dien-3-ß-yl acetate
cas: 982-06-9
dtxsid: DTXSID20913385
formula: C24H34O3
inchikey: NELMHAIFXJZDST-HHNLCZHGSA-N
norman_susdat_id: NS00042114
pubchem_cid: 7091834
smiles: O=C(OC1CC2=CCC3C4CC(=C(C(=O)C)C4(C)CCC3C2(C)CC1)C)C
inchi:
InChI=1/C24H34O3/c1-14-12-21-19-7-6-17-13-18(27-16(3)26)8-10-23(17,4)20(19)9-11-24(21,5)22(14)15(2)25/h6,18-21H,7-13H2,1-5H3


name: prenoxdiazine
cas: 982-43-4
chebiid: CHEBI:135527
chemspiderid: 107586
formula: C23H27N3O1
inchikey: PXZDWASDNFWKSD-UHFFFAOYSA-N
norman_susdat_id: NS00003230
pubchem_cid: 120508
smiles: C(Cc1nc(CC(c2ccccc2)c2ccccc2)no1)N1CCCCC1
inchi:
InChI=1S/C23H27N3O/c1-4-10-19(11-5-1)21(20-12-6-2-7-13-20)18-22-24-23(27-25-22)14-17-26-15-8-3-9-16-26/h1-2,4-7,10-13,21H,3,8-9,14-18H2


name: Chloramphenicol sodium succinate
cas: 982-57-0
formula: C15H16Cl2N2O8.Na
inchikey: RPLOPBHEZLFENN-HTMVYDOJSA-M
norman_susdat_id: NS00079883
smiles: [Na+].O[C@@H]([C@@H](COC(=O)CCC([O-])=O)NC(=O)C(Cl)Cl)c1ccc(cc1)[N+]([O-])=O
inchi:
InChI=1/C15H16Cl2N2O8.Na/c16-14(17)15(24)18-10(7-27-12(22)6-5-11(20)21)13(23)8-1-3-9(4-2-8)19(25)26;/h1-4,10,13-14,23H,5-7H2,(H,18,24)(H,20,21);/q;+1/p-1


name: 4,11-Triphenodioxazinedisulfonic acid, 3,10-diamino-6,13-dichloro-
cas: 98210-99-2
chemspiderid: 4650998
formula: C18H10Cl2N4O8S2
inchikey: FEHDDMUMJIFOOE-UHFFFAOYSA-N
norman_susdat_id: NS00007912
pubchem_cid: 5713223
smiles: Nc1ccc2N=c3c(Cl)c4Oc5c(ccc(N)c5S(O)(=O)=O)N=c4c(Cl)c3Oc2c1S(O)(=O)=O
inchi:
InChI=1S/C18H10Cl2N4O8S2/c19-9-11-15(31-13-7(23-11)3-1-5(21)17(13)33(25,26)27)10(20)12-16(9)32-14-8(24-12)4-2-6(22)18(14)34(28,29)30/h1-4H,21-22H2,(H,25,26,27)(H,28,29,30)


name: 5-hydroxy-3,4-bis(hydroxymethyl)-6-methylpyridinium dihydrogen citrate
cas: 982-23-1
formula: C8H11NO3.C6H8O7
inchikey: DYAXNXLVEDEAER-UHFFFAOYSA-L
norman_susdat_id: NS00083630
smiles: Cc1[nH+]cc(CO)c(CO)c1O.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C8H11NO3.C6H8O7/c1-5-8(12)7(4-11)6(3-10)2-9-5;7-3(8)1-6(13,5(11)12)2-4(9)10/h2,10-12H,3-4H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2


name: Brevetoxin C
cas: 98225-48-0
dtxsid: DTXSID40879999
formula: C49H69ClO14
inchikey: LLWZTLRNRYPFBO-MDNNOPBSSA-N
norman_susdat_id: NS00075436
inchi:
InChI=1/C49H69ClO14/c1-24-13-30-35(21-47(5)37(57-30)19-34-44(63-47)25(2)14-42(53)59-34)56-29-10-12-46(4)38(60-43(24)29)20-39-48(6,64-46)22-41-45(3,62-39)11-8-9-28-31(58-41)17-33-32(55-28)18-40-49(7,61-33)36(52)16-27(54-40)15-26(51)23-50/h8-9,14,24,27-41,43-44,52H,10-13,15-23H2,1-7H3/b9-8-/t24-,27-,28-,29+,30+,31+,32+,33-,34+,35-,36+,37-,38+,39-,40-,41-,43-,44-,45+,46-,47+,48+,49+/s2

smiles:
[H][C@]12C[C@@]3([H])O[C@H](CC(=O)CCl)C[C@H](O)[C@]3(C)O[C@]1([H])C[C@]1([H])O[C@]3([H])C[C@]4(C)O[C@]5(C)CC[C@]6([H])O[C@]7([H])C[C@]8(C)O[C@]9([H])C(C)=CC(=O)O[C@@]9([H])C[C@@]8([H])O[C@@]7([H])C[C@@H](C)[C@@]6([H])O[C@@]5([H])C[C@@]4([H])O[C@@]3(C)CC=C/[C@@]1([H])O2


name: N,N,N-Triethylethanaminium pentadecafluorooctanoate
cas: 98241-25-9
dtxsid: DTXSID30895567
formula: C16H20F15NO2
inchikey: BNXNIMCQNOPNFR-UHFFFAOYSA-M
norman_susdat_id: NS00110044
smiles: CC[N+](CC)(CC)CC.[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.C8H20N/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;1-5-9(6-2,7-3)8-4/h(H,24,25);5-8H2,1-4H3/q;+1/p-1


name: Delavine
cas: 98243-57-3
chemspiderid: 14240934
formula: C27H45NO2
inchikey: NEMWYOKGHGSVSC-MSSYMPDSSA-N
norman_susdat_id: NS00094272
pubchem_cid: 10264360
smiles:
C[C@H]1CC[C@H]2[C@@H]([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


name: Benalaxyl-M
cas: 98243-83-5
chemspiderid: NA
dtxsid: DTXSID0058229
formula: C15H17N1O7
inchikey: LOLLBQOBGKUVRA-UHFFFAOYSA-N
norman_susdat_id: NS00003119
pubchem_cid: NA
smiles: COC(=O)C(C)N(C(=O)CC(O)=O)c1c(C)cccc1C(O)=O
inchi:
InChI=1S/C15H17NO7/c1-8-5-4-6-10(14(20)21)13(8)16(9(2)15(22)23-3)11(17)7-12(18)19/h4-6,9H,7H2,1-3H3,(H,18,19)(H,20,21)


name: 2-Oxetanone, 3-C14-16-alkyl 4-C15-17-alkylidene derivs.
cas: 98246-87-8
dtxsid: DTXSID5029845
formula: C34H64O2
inchikey: AAAIOLZUQZJCPR-FPODKLOTSA-N
norman_susdat_id: NS00065917
pubchem_cid: 22833464
smiles: O=C1OC(=CCCCCCCCCCCCCCCC)C1CCCCCCCCCCCCCCC
inchi:
InChI=1/C34H64O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-32(34(35)36-33)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-32H,3-30H2,1-2H3


name: trans-vinylenebis[diphenylphosphine]
cas: 983-81-3
formula: C26H22P2
inchikey: NCKJIJSEWKIXAT-UHFFFAOYSA-N
norman_susdat_id: NS00042544
pubchem_cid: 70429
smiles: C=1C=CC(=CC1)P(C=CP(C=2C=CC=CC2)C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C26H22P2/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/h1-22H


name: Penamecillin
cas: 983-85-7
chebiid: CHEBI:131733
chemspiderid: 8426255
dtxsid: DTXSID10243547
formula: C19H22N2O6S1
inchikey: NLOOMWLTUVBWAW-HLLBOEOZSA-N
norman_susdat_id: NS00011626
pubchem_cid: 10250769
smiles: CC(=O)OCOC(=O)[C@H]1C(S[C@H]2N1C(=O)[C@H]2NC(=O)CC3=CC=CC=C3)(C)C
inchi:
InChI=1S/C19H22N2O6S/c1-11(22)26-10-27-18(25)15-19(2,3)28-17-14(16(24)21(15)17)20-13(23)9-12-7-5-4-6-8-12/h4-8,14-15,17H,9-10H2,1-3H3,(H,20,23)/t14-,15+,17-/m1/s1


name: Finasteride
cas: 98319-26-7
chebiid: CHEBI:5062
chemspiderid: 51714
dtxsid: DTXSID3020625
formula: C23H36N2O2
inchikey: DBEPLOCGEIEOCV-WSBQPABSSA-N
norman_susdat_id: NS00010893
pubchem_cid: 57363
smiles: CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C
inchi:
InChI=1S/C23H36N2O2/c1-21(2,3)25-20(27)17-8-7-15-14-6-9-18-23(5,13-11-19(26)24-18)16(14)10-12-22(15,17)4/h11,13-18H,6-10,12H2,1-5H3,(H,24,26)(H,25,27)/t14-,15-,16-,17+,18+,22-,23+/m0/s1


name: 2,3-Epoxypropyl neodecanoate, oligomeric reaction products with toluene-4-sulfonic acid
cas: 98362-33-5
dtxsid: DTXSID90913317
inchikey: QBTZOZACJGWLIT-UHFFFAOYSA-N
norman_susdat_id: NS00076480
inchi:
InChI=1S/C46H80O12S/c1-30-20-22-37(23-21-30)59(51,52)58-36(29-57-40(50)46(18,19)33(4)43(11,12)13)27-53-26-35(28-56-39(49)45(16,17)32(3)42(8,9)10)54-24-34(47)25-55-38(48)44(14,15)31(2)41(5,6)7/h20-23,31-36,47H,24-29H2,1-19H3

smiles:
CC(C(C)(C)C)C(C)(C)C(=O)OCC(O)COC(COCC(COC(=O)C(C)(C)C(C)C(C)(C)C)OS(=O)(=O)c1ccc(C)cc1)COC(=O)C(C)(C)C(C)C(C)(C)C


name: 8(S)-Hydroxy-(5Z,9E,11Z,14Z)-eicosatetraenoic acid
cas: 98462-03-4
chebiid: CHEBI:34486
chemspiderid: 4446278
formula: C20H32O3
inchikey: NLUNAYAEIJYXRB-VYOQERLCSA-N
norman_susdat_id: NS00015213
pubchem_cid: 5283154
smiles: CCCCCC=CCC=CC=CC(CC=CCCCC(=O)O)O
inchi:
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-13-16-19(21)17-14-11-12-15-18-20(22)23/h6-7,9-11,13-14,16,19,21H,2-5,8,12,15,17-18H2,1H3,(H,22,23)/b7-6-,10-9-,14-11-,16-13+/t19-/m1/s1


name: Aluminium tris[9,10-dihydro-5,8-dihydroxy-9,10-dioxoanthracene-2-sulphonate]
cas: 98493-35-7
formula: C14H8O7S
inchikey: BJGROFLBXMVRFR-UHFFFAOYSA-K
norman_susdat_id: NS00066081
pubchem_cid: 22608864
inchi:
InChI=1/3C14H8O7S.Al/c3*15-9-3-4-10(16)12-11(9)13(17)7-2-1-6(22(19,20)21)5-8(7)14(12)18;/h3*1-5,15-16H,(H,19,20,21);/q;;;+3/p-3

smiles:
[Al+3].O=C1C2=CC=C(C=C2C(=O)C=3C(O)=CC=C(O)C13)S(=O)(=O)[O-].O=C1C2=CC=C(C=C2C(=O)C=3C(O)=CC=C(O)C13)S(=O)(=O)[O-].O=C1C2=CC=C(C=C2C(=O)C=3C(O)=CC=C(O)C13)S(=O)(=O)[O-]


cas: 98493-37-9
formula: C11H12N4O3S3.ClH
inchikey: QCGMGZYJJDBFCC-YDYUUSCQSA-N
norman_susdat_id: NS00092982
smiles: Cl.Cc1nnc(SCC2=C(N3[C@@H](SC2)[C@@H](N)C3=O)C(=O)O)s1
name:
(6R-trans)-7-amino-3-[[(5-methyl-1,3,4-thiadiazol-2-yl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid monohydrochloride

inchi:
InChI=1/C11H12N4O3S3.ClH/c1-4-13-14-11(21-4)20-3-5-2-19-9-6(12)8(16)15(9)7(5)10(17)18;/h6,9H,2-3,12H2,1H3,(H,17,18);1H


name: 1-(3,4-diethoxybenzyl)-6,7-diethoxy-1,2,3,4-tetrahydroisoquinolinium chloride
cas: 985-11-5
dtxsid: DTXSID00913247
formula: C24H33NO4
inchikey: UFMDADDQBPEVKZ-UHFFFAOYSA-N
norman_susdat_id: NS00042564
pubchem_cid: 3013964
smiles: [Cl-].O(C1=CC=C(C=C1OCC)CC2C3=CC(OCC)=C(OCC)C=C3CC[NH2+]2)CC
inchi:
InChI=1/C24H33NO4.ClH/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20;/h9-10,14-16,20,25H,5-8,11-13H2,1-4H3;1H


name: Ethaverine hydrochloride
cas: 985-13-7
formula: C24H29NO4.ClH
inchikey: UPUDVKWQBVIKBG-UHFFFAOYSA-N
norman_susdat_id: NS00079644
smiles: Cl.CCOc1ccc(Cc2nccc3cc(OCC)c(OCC)cc23)cc1OCC
inchi:
InChI=1/C24H29NO4.ClH/c1-5-26-21-10-9-17(14-22(21)27-6-2)13-20-19-16-24(29-8-4)23(28-7-3)15-18(19)11-12-25-20;/h9-12,14-16H,5-8,13H2,1-4H3;1H


name: Nafcillin
cas: 985-16-0
chemspiderid: 22037
dtxsid: DTXSID8023343
formula: C21H22N2O5S1
inchikey: GPXLMGHLHQJAGZ-UHFFFAOYSA-N
norman_susdat_id: NS00009701
pubchem_cid: 23568
smiles: CCOc1ccc2ccccc2c1C(=O)NC1C2SC(C)(C)C(N2C1=O)C(O)=O
inchi:
InChI=1S/C21H22N2O5S/c1-4-28-13-10-9-11-7-5-6-8-12(11)14(13)17(24)22-15-18(25)23-16(20(26)27)21(2,3)29-19(15)23/h5-10,15-16,19H,4H2,1-3H3,(H,22,24)(H,26,27)


name: 9-methoxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazolium acetate
cas: 98510-80-6
formula: C19H19N2O.C2H3O2
inchikey: YNZAJSGICHACDH-UHFFFAOYSA-N
norman_susdat_id: NS00093375
smiles: COc1ccc2[nH]c3c(C)c4cc[n+](C)cc4c(C)c3c2c1.CC(=O)[O-]
inchi:
InChI=1/C19H18N2O.C2H4O2/c1-11-16-10-21(3)8-7-14(16)12(2)19-18(11)15-9-13(22-4)5-6-17(15)20-19;1-2(3)4/h5-10H,1-4H3;1H3,(H,3,4)


name: Methyl 16,17-didehydro-19a-methyloxayohimban-16-carboxylate, compound with 5-oxo-L-proline (1:1)
cas: 98510-81-7
formula: C21H24N2O3.C5H7NO3
inchikey: AIKWEAJZOJUNMB-OFDNHZRLSA-N
norman_susdat_id: NS00092983
smiles: COC(=O)C1=CO[C@@H](C)[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12.OC(=O)[C@@H]6CCC(=O)N6
inchi:
InChI=1/C21H24N2O3.C5H7NO3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2;7-4-2-1-3(6-4)5(8)9/h3-6,11-12,15-16,19,22H,7-10H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)


name: sec-butyl dihydrogen phosphate, compound with 2-ethyl-N-(2-ethylhexyl)hexylamine (1:2)
cas: 98510-82-8
formula: C16H35N.1/2C4H11O4P
inchikey: CUIKHJZJHFKKMT-UHFFFAOYSA-N
norman_susdat_id: NS00093062
smiles: CC(CC)OP(O)(=O)O.CCC(CCCC)CNCC(CC)CCCC.CCC(CCCC)CNCC(CC)CCCC
inchi:
InChI=1/2C16H35N.C4H11O4P/c2*1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;1-3-4(2)8-9(5,6)7/h2*15-17H,5-14H2,1-4H3;4H,3H2,1-2H3,(H2,5,6,7)


name: sec-butyl isobutyl hydrogen phosphate, compound with 2-ethyl-N-(2-ethylhexyl)hexylamine (1:1)
cas: 98510-84-0
formula: C16H35N.C8H19O4P
inchikey: SVUXDVCNCPFBQO-UHFFFAOYSA-N
norman_susdat_id: NS00093376
smiles: CCCCC(CC)CNCC(CC)CCCC.CCC(C)OP(=O)(O)OCC(C)C
inchi:
InChI=1/C16H35N.C8H19O4P/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;1-5-8(4)12-13(9,10)11-6-7(2)3/h15-17H,5-14H2,1-4H3;7-8H,5-6H2,1-4H3,(H,9,10)


name: Isobutyl dihydrogen phosphate, compound with 2-ethyl-N-(2-ethylhexyl)hexylamine (1:2)
cas: 98510-85-1
formula: C16H35N.1/2C4H11O4P
inchikey: YKSQULBXEMSMNI-UHFFFAOYSA-N
norman_susdat_id: NS00093063
smiles: CC(C)COP(O)(=O)O.CCC(CCCC)CNCC(CC)CCCC.CCC(CCCC)CNCC(CC)CCCC
inchi:
InChI=1/2C16H35N.C4H11O4P/c2*1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;1-4(2)3-8-9(5,6)7/h2*15-17H,5-14H2,1-4H3;4H,3H2,1-2H3,(H2,5,6,7)


name: Bis(sec-butyl) hydrogen phosphate, compound with 2-ethyl-N-(2-ethylhexyl)hexylamine (1:1)
cas: 98510-86-2
formula: C16H35N.C8H19O4P
inchikey: MTSASQKNDGYCRI-UHFFFAOYSA-N
norman_susdat_id: NS00093221
smiles: CCCCC(CC)CNCC(CC)CCCC.CCC(C)OP(=O)(O)OC(C)CC
inchi:
InChI=1/C16H35N.C8H19O4P/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;1-5-7(3)11-13(9,10)12-8(4)6-2/h15-17H,5-14H2,1-4H3;7-8H,5-6H2,1-4H3,(H,9,10)


name: Diisobutyl hydrogen phosphate, compound with 2-ethyl-N-(2-ethylhexyl)hexylamine (1:1)
cas: 98510-87-3
formula: C16H35N.C8H19O4P
inchikey: JLXYSAJTTSZEHE-UHFFFAOYSA-N
norman_susdat_id: NS00093084
smiles: CCCCC(CC)CNCC(CC)CCCC.CC(C)COP(=O)(O)OCC(C)C
inchi:
InChI=1/C16H35N.C8H19O4P/c1-5-9-11-15(7-3)13-17-14-16(8-4)12-10-6-2;1-7(2)5-11-13(9,10)12-6-8(3)4/h15-17H,5-14H2,1-4H3;7-8H,5-6H2,1-4H3,(H,9,10)


name: Compound i
cas: 98524-87-9
dtxsid: DTXSID00243632
formula: C21H28N2O3
inchikey: NEAZMARKCJKUMF-QGZVFWFLSA-N
norman_susdat_id: NS00068546
pubchem_cid: 5272139
smiles: Cc1cc(CCCCCCCOc2ccc(C3=N[C@H](C)CO3)cc2)on1
inchi:
InChI=1S/C21H28N2O3/c1-16-14-20(26-23-16)8-6-4-3-5-7-13-24-19-11-9-18(10-12-19)21-22-17(2)15-25-21/h9-12,14,17H,3-8,13,15H2,1-2H3/t17-/m1/s1


cas: 98561-40-1
dtxsid: DTXSID20882981
norman_susdat_id: NS00109637
name:
Alcohols, C3-7, .beta.-.omega.-perfluoro-.omega.-hydro, reaction products with 3a,4,7,7a-tetrahydro-1,3-isobenzofurandione


cas: 98561-41-2
dtxsid: DTXSID20882906
norman_susdat_id: NS00109630
name:
Alcohols, C3-7, .beta.-.omega.-perfluoro-.omega.-hydro, reaction products with 3a,4,7,7a-tetrahydromethyl-4,7-methanoisobenzofuran-1,3-dione


name: 2,2,4,4,6,6-hexahydro-2,2,4,4,6,6-hexa(isopropoxy)-1,2,3,4,5,6-triazatriphosphorine
cas: 986-10-7
dtxsid: DTXSID50913171
formula: C18H42N3O6P3
inchikey: DNZJBFOSYOVVGV-UHFFFAOYSA-N
norman_susdat_id: NS00042565
pubchem_cid: 70430
smiles: N=1P(=NP(=NP1(OC(C)C)OC(C)C)(OC(C)C)OC(C)C)(OC(C)C)OC(C)C
inchi:
InChI=1/C18H42N3O6P3/c1-13(2)22-28(23-14(3)4)19-29(24-15(5)6,25-16(7)8)21-30(20-28,26-17(9)10)27-18(11)12/h13-18H,1-12H3


name: Halobetasol
cas: 98651-66-2
dtxsid: DTXSID60243759
formula: C22H27ClF2O4
inchikey: LEHFPXVYPMWYQD-XHIJKXOTSA-N
norman_susdat_id: NS00069842
pubchem_cid: 5311167
smiles: C[C@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CCl
inchi:
InChI=1S/C22H27ClF2O4/c1-11-6-13-14-8-16(24)15-7-12(26)4-5-19(15,2)21(14,25)17(27)9-20(13,3)22(11,29)18(28)10-23/h4-5,7,11,13-14,16-17,27,29H,6,8-10H2,1-3H3/t11-,13-,14-,16-,17-,19-,20-,21-,22-/m0/s1


name: 1,1'-[iminobis(ethane-2,1-diyliminoethane-2,1-diyl)]bisimidazolidine-2,4-dione
cas: 98690-27-8
dtxsid: DTXSID00243778
formula: C14H25N7O4
inchikey: ROKGZEFEAXCPAT-UHFFFAOYSA-N
norman_susdat_id: NS00066358
pubchem_cid: 113499
smiles: O=C1NC(=O)CN1CCNCCNCCNCCN2C(=O)NC(=O)C2
inchi:
InChI=1/C14H25N7O4/c22-11-9-20(13(24)18-11)7-5-16-3-1-15-2-4-17-6-8-21-10-12(23)19-14(21)25/h15-17H,1-10H2,(H,18,22,24)(H,19,23,25)


name: 1,1'-[iminobis(ethane-2,1-diyliminoethane-2,1-diyl)]bis[2-amino-1,5-dihydro-4H-imidazol-4-one]
cas: 98690-28-9
dtxsid: DTXSID60243779
formula: C14H27N9O2
inchikey: UYAQFOXKLUQFHU-UHFFFAOYSA-N
norman_susdat_id: NS00065854
pubchem_cid: 113500
smiles: O=C1N=C(N)N(C1)CCNCCNCCNCCN2C(=NC(=O)C2)N
inchi:
InChI=1/C14H27N9O2/c15-13-20-11(24)9-22(13)7-5-18-3-1-17-2-4-19-6-8-23-10-12(25)21-14(23)16/h17-19H,1-10H2,(H2,15,20,24)(H2,16,21,25)


name: 1,1'-(3,6,9,12-tetraazatetradecane-1,14-diyl)bisimidazolidine-2,4-dione
cas: 98690-29-0
dtxsid: DTXSID70243780
formula: C16H30N8O4
inchikey: WCHMXXBKHJJRID-UHFFFAOYSA-N
norman_susdat_id: NS00066639
pubchem_cid: 113501
smiles: O=C1NC(=O)CN1CCNCCNCCNCCNCCN2C(=O)NC(=O)C2
inchi:
InChI=1/C16H30N8O4/c25-13-11-23(15(27)21-13)9-7-19-5-3-17-1-2-18-4-6-20-8-10-24-12-14(26)22-16(24)28/h17-20H,1-12H2,(H,21,25,27)(H,22,26,28)


name: 1,1'-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]bisimidazolidine-2,4-dione
cas: 98690-31-4
dtxsid: DTXSID90243782
formula: C12H20N6O4
inchikey: JWOVHUWSLSYMHT-UHFFFAOYSA-N
norman_susdat_id: NS00065998
pubchem_cid: 113503
smiles: O=C1NC(=O)CN1CCNCCNCCN2C(=O)NC(=O)C2
inchi:
InChI=1/C12H20N6O4/c19-9-7-17(11(21)15-9)5-3-13-1-2-14-4-6-18-8-10(20)16-12(18)22/h13-14H,1-8H2,(H,15,19,21)(H,16,20,22)


name: 1,1'-[ethane-1,2-diylbis(iminoethane-2,1-diyl)]bis[2-amino-1,5-dihydro-4H-imidazol-4-one]
cas: 98690-32-5
dtxsid: DTXSID50243783
formula: C12H22N8O2
inchikey: IZEOSXUWGIMWDU-UHFFFAOYSA-N
norman_susdat_id: NS00066359
pubchem_cid: 113504
smiles: O=C1N=C(N)N(C1)CCNCCNCCN2C(=NC(=O)C2)N
inchi:
InChI=1/C12H22N8O2/c13-11-17-9(21)7-19(11)5-3-15-1-2-16-4-6-20-8-10(22)18-12(20)14/h15-16H,1-8H2,(H2,13,17,21)(H2,14,18,22)


name: Ammonium (1,3,5,7,9,11,13,15-octamethylhexadecyl)benzenesulphonate
cas: 98690-35-8
formula: C30H54O3S
inchikey: KSMFOTKAFZGMFX-UHFFFAOYSA-N
norman_susdat_id: NS00065999
pubchem_cid: 3025070
smiles: O=S(=O)([O-])C=1C=CC=CC1C(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)CC(C)C.[NH4+]
inchi:
InChI=1/C30H54O3S.H3N/c1-21(2)14-22(3)15-23(4)16-24(5)17-25(6)18-26(7)19-27(8)20-28(9)29-12-10-11-13-30(29)34(31,32)33;/h10-13,21-28H,14-20H2,1-9H3,(H,31,32,33);1H3


name: Demecycline
cas: 987-02-0
chemspiderid: 16736927
formula: C21H22N2O8
inchikey: JCSGAUKCDAVARS-SOUFLCLCSA-N
norman_susdat_id: NS00011909
pubchem_cid: NA
smiles: CN(C)[C@H]1[C@@H]2C[C@@H]3[C@@H](c4cccc(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)O
inchi:
InChI=1S/C21H22N2O8/c1-23(2)14-9-6-8-12(16(26)11-7(15(8)25)4-3-5-10(11)24)18(28)21(9,31)19(29)13(17(14)27)20(22)30/h3-5,8-9,14-15,24-25,27-28,31H,6H2,1-2H3,(H2,22,30)/t8-,9-,14-,15+,21-/m0/s1


name: 17-hydroxy-6a-(trifluoromethyl)pregn-4-ene-3,20-dione 17-acetate
cas: 987-18-8
chebiid: CHEBI:135717
formula: C24H31F3O4
inchikey: MXZYUFNILISKBC-WXLIAARGSA-N
norman_susdat_id: NS00043004
pubchem_cid: 192154
smiles: O=C(OC1(C(=O)C)CCC2C3CC(C4=CC(=O)CCC4(C)C3CCC21C)C(F)(F)F)C
inchi:
InChI=1/C24H31F3O4/c1-13(28)23(31-14(2)29)10-7-18-16-12-20(24(25,26)27)19-11-15(30)5-8-21(19,3)17(16)6-9-22(18,23)4/h11,16-18,20H,5-10,12H2,1-4H3


name: Betamethasone acetate
cas: 987-24-6
chebiid: CHEBI:31275
chemspiderid: 392014
dtxsid: DTXSID8022668
formula: C24H31F1O6
inchikey: AKUJBENLRBOFTD-QZIXMDIESA-N
norman_susdat_id: NS00000579
pubchem_cid: 443967
smiles: O=C(OCC(=O)[C@]3(O)[C@]2(C[C@H](O)[C@]4(F)[C@@]/1(C(=C/C(=O)C=C1)CC[C@H]4[C@@H]2C[C@@H]3C)C)C)C
inchi:
InChI=1S/C24H31FO6/c1-13-9-18-17-6-5-15-10-16(27)7-8-21(15,3)23(17,25)19(28)11-22(18,4)24(13,30)20(29)12-31-14(2)26/h7-8,10,13,17-19,28,30H,5-6,9,11-12H2,1-4H3/t13-,17-,18-,19-,21-,22-,23-,24-/m0/s1


name: Adenosine 5'-(tetrahydrogen triphosphate), disodium salt
cas: 987-65-5
formula: C10H16N5O13P3.2Na
inchikey: TTWYZDPBDWHJOR-UHFFFAOYSA-L
norman_susdat_id: NS00080139
smiles: Nc1ncnc2c1ncn2C3OC(COP(=O)(O)OP(=O)(O[Na])OP(=O)(O)O[Na])C(O)C3O
inchi:
InChI=1/C10H16N5O13P3.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20);;/q;2*+1/p-2/rC10H14N5Na2O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(19)6(18)4(26-10)1-25-31(20,21)29-33(24,28-17)30-32(22,23)27-16/h2-4,6-7,10,18-19H,1H2,(H,20,21)(H,22,23)(H2,11,12,13)


name: Citicoline
cas: 987-78-0
chebiid: CHEBI:16436
chemspiderid: 13207
dtxsid: DTXSID9048431
formula: C14H27N4O11P2
inchikey: RZZPDXZPRHQOCG-OJAKKHQRSA-N
norman_susdat_id: NS00015031
pubchem_cid: NA
smiles: C[N+](C)(C)CCOP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N)O)O
inchi:
InChI=1S/C14H26N4O11P2/c1-18(2,3)6-7-26-30(22,23)29-31(24,25)27-8-9-11(19)12(20)13(28-9)17-5-4-10(15)16-14(17)21/h4-5,9,11-13,19-20H,6-8H2,1-3H3,(H3-,15,16,21,22,23,24,25)/t9-,11-,12-,13-/m1/s1


name: 3-phenyl-N-[N-[(phenylmethoxy)carbonyl]-L-a-glutamyl]-L-alanine
cas: 987-84-8
dtxsid: DTXSID70913118
formula: C22H24N2O7
inchikey: ZORDBMVWKMEZAC-ROUUACIJSA-N
norman_susdat_id: NS00042556
pubchem_cid: 14333283
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)NC(C(=O)O)CC=2C=CC=CC2)CCC(=O)O
inchi:
InChI=1/C22H24N2O7/c25-19(26)12-11-17(24-22(30)31-14-16-9-5-2-6-10-16)20(27)23-18(21(28)29)13-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2,(H,23,27)(H,24,30)(H,25,26)(H,28,29)


name: tert-butyl (1S)-N-[1-((2S)-2-oxiranyl)-2-phenylethyl]carbamate
cas: 98737-29-2
chemspiderid: 3764189
formula: C15H21N1O3
inchikey: NVPOUMXZERMIJK-UHFFFAOYSA-N
norman_susdat_id: NS00003001
pubchem_cid: 4571240
smiles: CC(C)(C)OC(=O)NC(Cc1ccccc1)C1CO1
inchi:
InChI=1S/C15H21NO3/c1-15(2,3)19-14(17)16-12(13-10-18-13)9-11-7-5-4-6-8-11/h4-8,12-13H,9-10H2,1-3H3,(H,16,17)


name: Reboxetine
cas: 98769-81-4
chebiid: CHEBI:125535
chemspiderid: 59268
dtxsid: DTXSID1048257
formula: C19H23N1O3
inchikey: CBQGYUDMJHNJBX-OALUTQOASA-N
norman_susdat_id: NS00009174
pubchem_cid: 65856
smiles: CCOc1ccccc1O[C@H]([C@@H]1CNCCO1)c1ccccc1
inchi:
InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m0/s1


name: Sodium Perfluorononanesulfonate
cas: 98789-57-2
dtxsid: DTXSID50893308
formula: C9F19NaO3S
inchikey: CJBQJWNHEORPRL-UHFFFAOYSA-M
norman_susdat_id: NS00110677
smiles: [Na+].[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)C(F)(F)F
inchi:
InChI=1S/C9HF19O3S.Na/c10-1(11,2(12,13)4(16,17)6(20,21)8(24,25)26)3(14,15)5(18,19)7(22,23)9(27,28)32(29,30)31;/h(H,29,30,31);/q;+1/p-1


name: N-[N-[(benzyloxy)carbonyl]-L-a-glutamyl]-L-tyrosine
cas: 988-75-0
dtxsid: DTXSID30913078
formula: C22H24N2O8
inchikey: XLUMOZQZGPJGTL-ROUUACIJSA-N
norman_susdat_id: NS00042566
pubchem_cid: 96820
smiles: O=C(O)CCC(NC(=O)OCC=1C=CC=CC1)C(=O)NC(C(=O)O)CC2=CC=C(O)C=C2
inchi:
InChI=1/C22H24N2O8/c25-16-8-6-14(7-9-16)12-18(21(29)30)23-20(28)17(10-11-19(26)27)24-22(31)32-13-15-4-2-1-3-5-15/h1-9,17-18,25H,10-13H2,(H,23,28)(H,24,31)(H,26,27)(H,29,30)


cas: 98809-11-1
chemspiderid: 57464111
dtxsid: DTXSID90723559
formula: C34H49N13O3
inchikey: XNZJIECTWUBCJT-UHFFFAOYSA-N
norman_susdat_id: NS00009819
pubchem_cid: 57357165
smiles: CCN(CC)CCCNc1nc(NCCCN(CC)CC)nc(Nc2ccc(cc2)N=NC(C(C)=O)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)n1
name:
2-[(E)-{4-[(4,6-Bis{[3-(diethylamino)propyl]amino}-1,3,5-triazin-2-yl)amino]phenyl}diazenyl]-3-oxo-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)butanamide

inchi:
InChI=1S/C34H49N13O3/c1-6-46(7-2)20-10-18-35-31-41-32(36-19-11-21-47(8-3)9-4)43-33(42-31)38-24-12-14-25(15-13-24)44-45-29(23(5)48)30(49)37-26-16-17-27-28(22-26)40-34(50)39-27/h12-17,22,29H,6-11,18-21H2,1-5H3,(H,37,49)(H2,39,40,50)(H3,35,36,38,41,42,43)


name: 2,3,3,3-Tetrafluoro-2-(heptafluoropropoxy)-N-(1-phenylethyl)propanamide
cas: 98873-61-1
dtxsid: DTXSID30896751
formula: C14H10F11NO2
inchikey: JIOOYMLWOFURHL-UHFFFAOYSA-N
norman_susdat_id: NS00110141
smiles: CC(NC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1ccccc1
inchi:
InChI=1/C14H10F11NO2/c1-7(8-5-3-2-4-6-8)26-9(27)10(15,12(18,19)20)28-14(24,25)11(16,17)13(21,22)23/h2-7H,1H3,(H,26,27)


name: Glycerides, C16 di
cas: 98896-81-2
chemspiderid: 3769898
dtxsid: DTXSID70404455
formula: C37H72O5
inchikey: RGROBSGNJZWWRZ-UHFFFAOYSA-N
norman_susdat_id: NS00095786
pubchem_cid: 4577178
smiles: CCCCCCCCCCCCCCCCC(=O)OCC(CO)OC(=O)CCCCCCCCCCCCCCCC
inchi:
InChI=1S/C37H72O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36(39)41-34-35(33-38)42-37(40)32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35,38H,3-34H2,1-2H3


name: Deoxylimonin
cas: 989-23-1
chebiid: CHEBI:168480
chemspiderid: 90382
formula: C26H30O7
inchikey: QUTATOGBENCRSS-UHFFFAOYSA-N
norman_susdat_id: NS00015861
pubchem_cid: 100026
smiles: CC1(C2CC(=O)C3(C(C24COC(=O)CC4O1)CCC5(C3=CC(=O)OC5C6=COC=C6)C)C)C
inchi:
InChI=1S/C26H30O7/c1-23(2)16-9-18(27)25(4)15(26(16)13-31-20(28)11-19(26)33-23)5-7-24(3)17(25)10-21(29)32-22(24)14-6-8-30-12-14/h6,8,10,12,15-16,19,22H,5,7,9,11,13H2,1-4H3


name: 9-[2-(ethoxycarbonyl)phenyl]-3,6-bis(ethylamino)-2,7-dimethylxanthylium chloride
cas: 989-38-8
chebiid: CHEBI:52672
formula: C28H31N2O3.Cl
inchikey: XFKVYXCRNATCOO-UHFFFAOYSA-M
norman_susdat_id: NS00080140
smiles: [Cl-].CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c4ccccc4C(=O)OCC)c2cc1C
inchi:
InChI=1/C28H31N2O3.ClH/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25;/h9-16,29-30H,6-8H2,1-5H3;1H/q+1;/p-1


name: (-)-Epigallocatechin gallate
cas: 989-51-5
chebiid: CHEBI:4806
chemspiderid: 58575
dtxsid: DTXSID1029889
formula: C22H18O11
inchikey: WMBWREPUVVBILR-WIYYLYMNSA-N
norman_susdat_id: NS00015163
pubchem_cid: 65064
smiles: C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O
inchi:
InChI=1S/C22H18O11/c23-10-5-12(24)11-7-18(33-22(31)9-3-15(27)20(30)16(28)4-9)21(32-17(11)6-10)8-1-13(25)19(29)14(26)2-8/h1-6,18,21,23-30H,7H2/t18-,21-/m1/s1


cas: 989-96-8
dtxsid: DTXSID80912995
formula: C24H32FO9P
inchikey: NXLTXRVPGUCAHF-UHFFFAOYSA-N
norman_susdat_id: NS00042567
pubchem_cid: NA
smiles: O=C1C=CC2(C(=C1)CCC3C4CC5OC(OC5(C(=O)COP(=O)(O)O)C4(C)CC(O)C32F)(C)C)C
name:
9-fluoro-11ß,21-dihydroxy-16a,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate)

inchi:
InChI=1/C24H32FO9P/c1-20(2)33-19-10-16-15-6-5-13-9-14(26)7-8-21(13,3)23(15,25)17(27)11-22(16,4)24(19,34-20)18(28)12-32-35(29,30)31/h7-9,15-17,19,27H,5-6,10-12H2,1-4H3,(H2,29,30,31)


name: Flumetsulam
cas: 98967-40-9
chebiid: CHEBI:82011
chemspiderid: 82857
dtxsid: DTXSID4032615
formula: C12H9F2N5O2S1
inchikey: RXCPQSJAVKGONC-UHFFFAOYSA-N
norman_susdat_id: NS00002749
pubchem_cid: 91759
smiles: Cc1ccn2nc(nc2n1)S(=O)(=O)Nc1c(F)cccc1F
inchi:
InChI=1S/C12H9F2N5O2S/c1-7-5-6-19-11(15-7)16-12(17-19)22(20,21)18-10-8(13)3-2-4-9(10)14/h2-6,18H,1H3


name: Aluminium trihexacosanoate
cas: 98978-60-0
formula: C26H52O2.1/3Al
inchikey: UCYKPPXQQKQJPB-UHFFFAOYSA-K
norman_susdat_id: NS00093194
inchi:
InChI=1/3C26H52O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28;/h3*2-25H2,1H3,(H,27,28);/q;;;+3/p-3

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


name: Aluminium tetracosanoate
cas: 98978-61-1
formula: C24H48O2.1/3Al
inchikey: GMDOKCZPQTYLIF-UHFFFAOYSA-K
norman_susdat_id: NS00093195
inchi:
InChI=1/3C24H48O2.Al/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26;/h3*2-23H2,1H3,(H,25,26);/q;;;+3/p-3

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


name: Calcium ditricosanoate
cas: 98978-62-2
formula: C23H46O2.1/2Ca
inchikey: VUNDOVHLQMWIBF-UHFFFAOYSA-L
norman_susdat_id: NS00092942
smiles: [Ca+2].CCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C23H46O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25;/h2*2-22H2,1H3,(H,24,25);/q;;+2/p-2


name: Barium dihexacosanoate
cas: 98978-64-4
formula: C26H52O2.1/2Ba
inchikey: XBOIQDRVJFRECB-UHFFFAOYSA-L
norman_susdat_id: NS00092944
smiles: [Ba+2].CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C26H52O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28;/h2*2-25H2,1H3,(H,27,28);/q;;+2/p-2


name: Calcium dihexacosanoate
cas: 98978-65-5
formula: C26H52O2.1/2Ca
inchikey: AHPNOQDCACLNOD-UHFFFAOYSA-L
norman_susdat_id: NS00092945
smiles: [Ca+2].CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C26H52O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28;/h2*2-25H2,1H3,(H,27,28);/q;;+2/p-2


name: 2-{[(4-methoxyphenyl)methyl](pyridin-2-yl)amino}-N,N-dimethylethan-1-amine N-oxide
cas: 98982-99-1
chemspiderid: 112904
dtxsid: DTXSID70891604
formula: C17H23N3O2
inchikey: IQDUZGGMNVZTAI-UHFFFAOYSA-N
norman_susdat_id: NS00014474
pubchem_cid: 127200
smiles: COc1ccc(CN(CCN(C)(C)=O)c2ccccn2)cc1
inchi:
InChI=1S/C17H23N3O2/c1-20(2,21)13-12-19(17-6-4-5-11-18-17)14-15-7-9-16(22-3)10-8-15/h4-11H,12-14H2,1-3H3


cas: 98999-57-6
dtxsid: DTXSID40882685
norman_susdat_id: NS00110294
name:
Sulfonamides, C7-8-alkane, perfluoro, N-methyl-N-[2-[(1-oxo-2-propenyl)oxy]ethyl], polymers with 2-ethoxyethyl acrylate, glycidyl methacrylate and N,N,N-trimethyl-2-[(2-methyl-1-oxo-2-propenyl)oxy]ethanaminium chloride


name: 2-(hydroxymethyl)phenyl-ß-D-glucopyranoside 6-benzoate
cas: 99-17-2
chebiid: CHEBI:8333
dtxsid: DTXSID90878492
formula: C20H22O8
inchikey: HHSKNLJWHGXWPK-BFMVXSJESA-N
norman_susdat_id: NS00041385
pubchem_cid: 92735
smiles: O=C(OCC1OC(OC=2C=CC=CC2CO)C(O)C(O)C1O)C=3C=CC=CC3
inchi:
InChI=1/C20H22O8/c21-10-13-8-4-5-9-14(13)27-20-18(24)17(23)16(22)15(28-20)11-26-19(25)12-6-2-1-3-7-12/h1-9,15-18,20-24H,10-11H2


name: (R)-Prunasin
cas: 99-18-3
chebiid: CHEBI:25150
chemspiderid: 82563
formula: C14H17N1O6
inchikey: ZKSZEJFBGODIJW-MXNNCRBYSA-N
norman_susdat_id: NS00018011
pubchem_cid: 120639
smiles: C1=CC=C(C=C1)C(C#N)OC2C(C(C(C(O2)CO)O)O)O
inchi:
InChI=1S/C14H17NO6/c15-6-9(8-4-2-1-3-5-8)20-14-13(19)12(18)11(17)10(7-16)21-14/h1-5,9-14,16-19H,7H2/t9?,10-,11-,12+,13-,14-/m1/s1


name: D-Trehalose
cas: 99-20-7
chebiid: CHEBI:16551
chemspiderid: 7149
dtxsid: DTXSID3048102
formula: C12H22O11
inchikey: HDTRYLNUVZCQOY-LIZSDCNHSA-N
norman_susdat_id: NS00015235
pubchem_cid: 7427
smiles: C(C1C(C(C(C(O1)OC2C(C(C(C(O2)CO)O)O)O)O)O)O)O
inchi:
InChI=1S/C12H22O11/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1


name: Benzamide, N-(4-amino-5-methoxy-2-methylphenyl)-
cas: 99-21-8
chemspiderid: 60194
dtxsid: DTXSID8059188
formula: C15H16N2O2
inchikey: VENDXQNWODZJGB-UHFFFAOYSA-N
norman_susdat_id: NS00021414
pubchem_cid: 66830
smiles: COc1c(N)cc(C)c(NC(=O)c2ccccc2)c1
inchi:
InChI=1S/C15H16N2O2/c1-10-8-12(16)14(19-2)9-13(10)17-15(18)11-6-4-3-5-7-11/h3-9H,16H2,1-2H3,(H,17,18)


name: Benoxinate
cas: 99-43-4
chebiid: CHEBI:309594
chemspiderid: 4472
dtxsid: DTXSID7048530
formula: C17H28N2O3
inchikey: CMHHMUWAYWTMGS-UHFFFAOYSA-N
norman_susdat_id: NS00002761
pubchem_cid: 4633
smiles: CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC
inchi:
InChI=1S/C17H28N2O3/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3/h8-9,13H,4-7,10-12,18H2,1-3H3


name: p-Iophendylate
cas: 99-79-6
chemspiderid: 2301035
dtxsid: DTXSID2052869
formula: C19H29I1O2
inchikey: LAYLQVBQIBQVLL-UHFFFAOYNA-N
norman_susdat_id: NS00040560
pubchem_cid: NA
smiles: CCOC(=O)CCCCCCCCC(C)c1ccc(I)cc1
inchi:
InChI=1S/C19H29IO2/c1-3-22-19(21)11-9-7-5-4-6-8-10-16(2)17-12-14-18(20)15-13-17/h12-16H,3-11H2,1-2H3/t16-/m1/s1


name: Fentanyl citrate
cas: 990-73-8
chebiid: CHEBI:31602
dtxsid: DTXSID80243933
formula: C28H36N2O8
inchikey: IVLVTNPOHDFFCJ-UHFFFAOYSA-N
norman_susdat_id: NS00076423
smiles: OC(=O)CC(O)(CC(O)=O)C(O)=O.CCC(=O)N(C1CCN(CCC2=CC=CC=C2)CC1)C1=CC=CC=C1
inchi:
InChI=1S/C22H28N2O.C6H8O7/c1-2-22(25)24(20-11-7-4-8-12-20)21-14-17-23(18-15-21)16-13-19-9-5-3-6-10-19;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-12,21H,2,13-18H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)


name: Imiquimod
cas: 99011-02-6
chebiid: CHEBI:36704
chemspiderid: 51809
dtxsid: DTXSID7041047
formula: C14H16N4
inchikey: DOUYETYNHWVLEO-UHFFFAOYSA-N
norman_susdat_id: NS00006714
pubchem_cid: 57469
smiles: CC(C)Cn1cnc2c(N)nc3ccccc3c12
inchi:
InChI=1S/C14H16N4/c1-9(2)7-18-8-16-12-13(18)10-5-3-4-6-11(10)17-14(12)15/h3-6,8-9H,7H2,1-2H3,(H2,15,17)


name: Sodium 5-oxo-L-prolinate, compound with methylsilanetriol (1:1)
cas: 99035-50-4
formula: C5H7NO3.CH6O3Si.Na
inchikey: UQCYJXJDVRKOCP-QTNFYWBSSA-M
norman_susdat_id: NS00093360
smiles: [Na+].C[Si](O)(O)O.[O-]C(=O)[C@@H]1CCC(=O)N1
inchi:
InChI=1/C5H7NO3.CH6O3Si.Na/c7-4-2-1-3(6-4)5(8)9;1-5(2,3)4;/h3H,1-2H2,(H,6,7)(H,8,9);2-4H,1H3;/q;;+1/p-1


name: Norbormide
cas: 991-42-4
chemspiderid: 10468605
dtxsid: DTXSID8042216
formula: C33H25N3O3
inchikey: DNTHHIVFNQZZRD-CYYJNZCTSA-N
norman_susdat_id: NS00004125
pubchem_cid: 12399560
smiles: OC(C1=CC2C3C(C1C2=C(/c1ccccc1)c1ccccn1)C(=O)NC3=O)(c1ccccc1)c1ccccn1
inchi:
InChI=1S/C33H25N3O3/c37-31-28-22-19-23(33(39,21-13-5-2-6-14-21)25-16-8-10-18-35-25)29(30(28)32(38)36-31)27(22)26(20-11-3-1-4-12-20)24-15-7-9-17-34-24/h1-19,22,28-30,39H,(H,36,37,38)/b27-26+


name: 4-{[4,6-Bis(octylsulfanyl)-1,3,5-triazin-2-yl]amino}-2,6-di-tert-butylphenol
cas: 991-84-4
chebiid: CHEBI:141532
chemspiderid: 63610
dtxsid: DTXSID1052662
formula: C33H56N4O1S2
inchikey: QRLSTWVLSWCGBT-UHFFFAOYSA-N
norman_susdat_id: NS00004572
pubchem_cid: 70431
smiles: CCCCCCCCSc1nc(Nc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)nc(SCCCCCCCC)n1
inchi:
InChI=1S/C33H56N4OS2/c1-9-11-13-15-17-19-21-39-30-35-29(36-31(37-30)40-22-20-18-16-14-12-10-2)34-25-23-26(32(3,4)5)28(38)27(24-25)33(6,7)8/h23-24,38H,9-22H2,1-8H3,(H,34,35,36,37)


name: Iron(3+) pentadecanoate
cas: 99116-27-5
formula: C15H30O2.1/3Fe
inchikey: ICNOKEQYOALILV-UHFFFAOYSA-K
norman_susdat_id: NS00092958
smiles: [Fe+3].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/3C15H30O2.Fe/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h3*2-14H2,1H3,(H,16,17);/q;;;+3/p-3


name: Iron icosanoate (1:3)
cas: 99116-28-6
formula: C20H40O2.1/3Fe
inchikey: CUPOZLRUGZVUGF-UHFFFAOYSA-K
norman_susdat_id: NS00092959
smiles: [Fe].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/3C20H40O2.Fe/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h3*2-19H2,1H3,(H,21,22);/q;;;+2/p-3


name: Clethodim
cas: 99129-21-2
chemspiderid: 82859
dtxsid: DTXSID3034458
formula: C17H26Cl1N1O3S1
inchikey: SILSDTWXNBZOGF-KUZBFYBWNA-N
norman_susdat_id: NS00019754
pubchem_cid: 135491728
smiles: CCSC(C)CC1CC(O)=C(\C(CC)=N\OC\C=C\Cl)C(=O)C1
inchi:
InChI=1S/C17H26ClNO3S/c1-4-14(19-22-8-6-7-18)17-15(20)10-13(11-16(17)21)9-12(3)23-5-2/h6-7,12-13,20H,4-5,8-11H2,1-3H3/b7-6+,19-14+/t12-,13-/m1/s1


cas: 99129-23-4
formula: C5H16O16P4
norman_susdat_id: NS00101740
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-(phosphonooxy)-, ether with 2,2-bis(hydroxymethyl)-1,3-propanediol (4:1), potassium salt


name: 2-(2,4-bis(1,1-dimethylethyl)phenoxy)-N-(3,5-dichloro-4-ethyl-2-hydroxyphenyl)-hexanamide
cas: 99141-89-6
chemspiderid: NA
formula: C28H39Cl2N1O3
inchikey: SKVLTVVEHFKQNY-UHFFFAOYSA-N
norman_susdat_id: NS00007836
pubchem_cid: 13651325
smiles: CCCCC(Oc1ccc(cc1C(C)(C)C)C(C)(C)C)C(=O)Nc1cc(Cl)c(CC)c(Cl)c1O
inchi:
InChI=1S/C28H39Cl2NO3/c1-9-11-12-23(26(33)31-21-16-20(29)18(10-2)24(30)25(21)32)34-22-14-13-17(27(3,4)5)15-19(22)28(6,7)8/h13-16,23,32H,9-12H2,1-8H3,(H,31,33)


name: Propyl heptadecafluorononanoate
cas: 99156-01-1
dtxsid: DTXSID10895762
formula: C12H7F17O2
inchikey: WYUJXBVCEHNYGY-UHFFFAOYSA-N
norman_susdat_id: NS00109370
smiles: CCCOC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H7F17O2/c1-2-3-31-4(30)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h2-3H2,1H3


name: 3',4',5',6'-tetraphenyl-o-terphenyl
cas: 992-04-1
dtxsid: DTXSID30243983
formula: C42H30
inchikey: QBHWPVJPWQGYDS-UHFFFAOYSA-N
norman_susdat_id: NS00042557
pubchem_cid: 70432
smiles: C=1C=CC(=CC1)C=2C(C=3C=CC=CC3)=C(C=4C=CC=CC4)C(C=5C=CC=CC5)=C(C=6C=CC=CC6)C2C=7C=CC=CC7
inchi:
InChI=1/C42H30/c1-7-19-31(20-8-1)37-38(32-21-9-2-10-22-32)40(34-25-13-4-14-26-34)42(36-29-17-6-18-30-36)41(35-27-15-5-16-28-35)39(37)33-23-11-3-12-24-33/h1-30H


name: Salannin
cas: 992-20-1
chemspiderid: 4444690
dtxsid: DTXSID6058500
formula: C34H44O9
inchikey: CJHBVBNPNXOWBA-HLIKQWNHSA-N
norman_susdat_id: NS00009565
pubchem_cid: 5281310
inchi:
InChI=1S/C34H44O9/c1-9-17(2)31(37)43-25-14-24(41-19(4)35)32(5)16-40-28-29(32)33(25,6)23(13-26(36)38-8)34(7)27-18(3)21(20-10-11-39-15-20)12-22(27)42-30(28)34/h9-11,15,21-25,28-30H,12-14,16H2,1-8H3/b17-9+/t21-,22-,23+,24-,25+,28-,29+,30-,32-,33+,34-/m1/s1

smiles:
COC(=O)C[C@@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@H](C(C)=C23)c2ccoc2)[C@@H]2OC[C@@]3(C)[C@H]2[C@]1(C)[C@H](C[C@H]3OC(C)=O)OC(=O)C(C)=CC


name: Lymecycline
cas: 992-21-2
chemspiderid: 4444450
dtxsid: DTXSID9045344
formula: C29H38N4O10
inchikey: WLQCPSFWJHLZAY-CCZWQWCCSA-N
norman_susdat_id: NS00021415
pubchem_cid: NA
smiles: CN(C)C1[C@@H]2CC3C(=C(O)c4c(cccc4O)[C@@]3(C)O)C(=O)[C@]2(O)C(=O)/C(=C(O)/NCNC(CCCCN)C(=O)O)/C1=O
inchi:
InChI=1S/C29H38N4O10/c1-28(42)13-7-6-9-17(34)18(13)22(35)19-14(28)11-15-21(33(2)3)23(36)20(25(38)29(15,43)24(19)37)26(39)32-12-31-16(27(40)41)8-4-5-10-30/h6-7,9,14-16,21,31-32,34-35,39,42-43H,4-5,8,10-12,30H2,1-3H3,(H,40,41)/b26-20-/t14-,15+,16-,21+,28-,29+/m1/s1


name: Irganox 858
cas: 992-53-0
dtxsid: DTXSID70894812
formula: C39H61N5O2S
inchikey: FURXDDVXYNEWJD-UHFFFAOYSA-N
norman_susdat_id: NS00066894
smiles: CCCCCCCCSC1=NC(NC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=NC(NC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)=N1
inchi:
InChI=1S/C39H61N5O2S/c1-14-15-16-17-18-19-20-47-35-43-33(40-25-21-27(36(2,3)4)31(45)28(22-25)37(5,6)7)42-34(44-35)41-26-23-29(38(8,9)10)32(46)30(24-26)39(11,12)13/h21-24,45-46H,14-20H2,1-13H3,(H2,40,41,42,43,44)


name: 4,4'-[[6-(octylthio)-1,3,5-triazine-2,4-diyl]bis(oxy)]bis[2,6-di-tert-butylphenol]
cas: 992-55-2
dtxsid: DTXSID90243984
formula: C39H59N3O4S
inchikey: JMCKNCBUBGMWAY-UHFFFAOYSA-N
norman_susdat_id: NS00042630
pubchem_cid: 70433
smiles: OC=1C(=CC(OC=2N=C(N=C(N2)SCCCCCCCC)OC=3C=C(C(O)=C(C3)C(C)(C)C)C(C)(C)C)=CC1C(C)(C)C)C(C)(C)C
inchi:
InChI=1/C39H59N3O4S/c1-14-15-16-17-18-19-20-47-35-41-33(45-25-21-27(36(2,3)4)31(43)28(22-25)37(5,6)7)40-34(42-35)46-26-23-29(38(8,9)10)32(44)30(24-26)39(11,12)13/h21-24,43-44H,14-20H2,1-13H3


name: Disodium 3,3'-((3,3'-dimethyl(1,1'-biphenyl)-4,4'-diyl)bis(azo)bis(4-aminonaphthalene-1-sulphonate)
cas: 992-59-6
dtxsid: DTXSID3025203
formula: C34H28N6O6S2
inchikey: SUXCALIDMIIJCK-UHFFFAOYSA-L
norman_susdat_id: NS00043054
pubchem_cid: 13817
inchi:
InChI=1/C34H28N6O6S2.2Na/c1-19-15-21(11-13-27(19)37-39-29-17-31(47(41,42)43)23-7-3-5-9-25(23)33(29)35)22-12-14-28(20(2)16-22)38-40-30-18-32(48(44,45)46)24-8-4-6-10-26(24)34(30)36;;/h3-18H,35-36H2,1-2H3,(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(=CC2C)C3=CC=C(N=NC=4C=C(C=5C=CC=CC5C4N)S(=O)(=O)[O-])C(=C3)C)=C(N)C=6C=CC=CC61


name: Crotonyl-coenzyme A
cas: 992-67-6
chemspiderid: 21171774
formula: C25H40N7O17P3S1
inchikey: KFWWCMJSYSSPSK-SNAWJCMRSA-N
norman_susdat_id: NS00014815
pubchem_cid: 5462197
smiles: C/C=C/C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O
inchi:
InChI=1S/C25H40N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h4-5,12-14,18-20,24,35-36H,6-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/b5-4+


name: Ubiquinol-10
cas: 992-78-9
chebiid: CHEBI:64183
dtxsid: DTXSID90912840
formula: C59H92O4
inchikey: QNTNKSLOFHEFPK-UPTCCGCDSA-N
norman_susdat_id: NS00073031
pubchem_cid: 9962735
inchi:
InChI=1S/C59H92O4/c1-44(2)24-15-25-45(3)26-16-27-46(4)28-17-29-47(5)30-18-31-48(6)32-19-33-49(7)34-20-35-50(8)36-21-37-51(9)38-22-39-52(10)40-23-41-53(11)42-43-55-54(12)56(60)58(62-13)59(63-14)57(55)61/h24,26,28,30,32,34,36,38,40,42,60-61H,15-23,25,27,29,31,33,35,37,39,41,43H2,1-14H3/b45-26+,46-28+,47-30+,48-32+,49-34+,50-36+,51-38+,52-40+,53-42+

smiles:
COc1c(O)c(C)c(C/C=C(C)CC/C=C(C)CC/C=C(C)CC/C=C(C)CC/C=C(C)CC/C=C(C)CC/C=C(C)CC/C=C(C)CC/C=C(C)CCC=C(C)C)c(O)c1OC


name: Nebivolol
cas: 99200-09-6
chebiid: CHEBI:64019
chemspiderid: 64421
dtxsid: DTXSID9040556
formula: C22H25F2N1O4
inchikey: KOHIRBRYDXPAMZ-UHFFFAOYSA-N
norman_susdat_id: NS00003512
pubchem_cid: 71301
smiles: OC(CNCC(O)C1CCc2cc(F)ccc2O1)C1CCc2cc(F)ccc2O1
inchi:
InChI=1S/C22H25F2NO4/c23-15-3-7-19-13(9-15)1-5-21(28-19)17(26)11-25-12-18(27)22-6-2-14-10-16(24)4-8-20(14)29-22/h3-4,7-10,17-18,21-22,25-27H,1-2,5-6,11-12H2


name: 9,10-dihydro-9-oxa-10-phosphenanthrene-10-oxide
cas: 99208-50-1
dtxsid: DTXSID20548353
formula: C18H13O4P
inchikey: KMRIWYPVRWEWRG-UHFFFAOYSA-N
norman_susdat_id: NS00112499
smiles: OC1=CC(=C(O)C=C1)P1(=O)OC2=CC=CC=C2C2=CC=CC=C12
inchi:
InChI=1S/C18H13O4P/c19-12-9-10-15(20)18(11-12)23(21)17-8-4-2-6-14(17)13-5-1-3-7-16(13)22-23/h1-11,19-20H


name: Chlorimuron
cas: 99283-00-8
chebiid: CHEBI:81953
chemspiderid: 82860
dtxsid: DTXSID20244020
formula: C13H11Cl1N4O6S1
inchikey: RIUXZHMCCFLRBI-UHFFFAOYSA-N
norman_susdat_id: NS00009137
pubchem_cid: 91762
smiles: COc1cc(Cl)nc(NC(=O)NS(=O)(=O)c2ccccc2C(O)=O)n1
inchi:
InChI=1S/C13H11ClN4O6S/c1-24-10-6-9(14)15-12(16-10)17-13(21)18-25(22,23)8-5-3-2-4-7(8)11(19)20/h2-6H,1H3,(H,19,20)(H2,15,16,17,18,21)


name: Bensulfuron
cas: 99283-01-9
chebiid: CHEBI:132880
chemspiderid: 96971
dtxsid: DTXSID3074949
formula: C15H16N4O7S1
inchikey: PPWBRCCBKOWDNB-UHFFFAOYSA-N
norman_susdat_id: NS00005880
pubchem_cid: 107828
smiles: COc1cc(OC)nc(NC(=O)NS(=O)(=O)Cc2ccccc2C(O)=O)n1
inchi:
InChI=1S/C15H16N4O7S/c1-25-11-7-12(26-2)17-14(16-11)18-15(22)19-27(23,24)8-9-5-3-4-6-10(9)13(20)21/h3-7H,8H2,1-2H3,(H,20,21)(H2,16,17,18,19,22)


name: Levodropropizine
cas: 99291-25-5
chebiid: CHEBI:82722
dtxsid: DTXSID8023210
formula: C13H20N2O2
inchikey: PTVWPYVOOKLBCG-ZDUSSCGKSA-N
norman_susdat_id: NS00096429
smiles: C1CN(CCN1CC(CO)O)C2=CC=CC=C2
inchi:
InChI=1S/C13H20N2O2/c16-11-13(17)10-14-6-8-15(9-7-14)12-4-2-1-3-5-12/h1-5,13,16-17H,6-11H2/t13-/m0/s1


name: borated lecithin
cas: 99296-81-8
chemspiderid: 24767409
formula: C52H81N1O8P1
inchikey: XLKQWAMTMYIQMG-SVUPRYTISA-N
norman_susdat_id: NS00003672
pubchem_cid: 24779134
inchi:
InChI=1S/C52H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h8-11,14-17,20-23,26-29,32-35,38-41,50H,6-7,12-13,18-19,24-25,30-31,36-37,42-49H2,1-5H3/b10-8-,11-9-,16-14-,17-15-,22-20-,23-21-,28-26-,29-27-,34-32-,35-33-,40-38-,41-39-/t50-/m1/s1

smiles:
CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCC=C/CC=C/CC=C/CC=C/CC=C/CC=C/CC


name: 4-[3-(Hydroxymethyl)anilino]-N-[(propan-2-yl)carbamoyl]pyridine-3-sulfonamide
cas: 99300-68-2
chebiid: CHEBI:155897
chemspiderid: 29790247
dtxsid: DTXSID70560767
formula: C16H20N4O4S1
inchikey: WCYVLAMJCQZUCR-UHFFFAOYSA-N
norman_susdat_id: NS00009258
pubchem_cid: 71771667
smiles: CC(C)NC(=O)NS(=O)(=O)c1cnccc1Nc1cccc(CO)c1
inchi:
InChI=1S/C16H20N4O4S/c1-11(2)18-16(22)20-25(23,24)15-9-17-7-6-14(15)19-13-5-3-4-12(8-13)10-21/h3-9,11,21H,10H2,1-2H3,(H,17,19)(H2,18,20,22)


name: Venlafaxine hydrochloride
cas: 99300-78-4
chebiid: CHEBI:9944
dtxsid: DTXSID8047397
formula: C17H28ClNO2
inchikey: QYRYFNHXARDNFZ-UHFFFAOYSA-N
norman_susdat_id: NS00076435
smiles: Cl.COC1=CC=C(C=C1)C(CN(C)C)C1(O)CCCCC1
inchi:
InChI=1/C17H27NO2.ClH/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14;/h7-10,16,19H,4-6,11-13H2,1-3H3;1H


name: 4,4'-Methylenebis(N-butoxycarbonylcyclohexanamine)
cas: 99305-42-7
chemspiderid: 9917020
dtxsid: DTXSID90893706
formula: C23H42N2O4
inchikey: XPMSIFQMNOZZLL-UHFFFAOYSA-N
norman_susdat_id: NS00007890
pubchem_cid: 11742316
smiles: CCCCOC(=O)NC1CCC(CC2CCC(CC2)NC(=O)OCCCC)CC1
inchi:
InChI=1S/C23H42N2O4/c1-3-5-15-28-22(26)24-20-11-7-18(8-12-20)17-19-9-13-21(14-10-19)25-23(27)29-16-6-4-2/h18-21H,3-17H2,1-2H3,(H,24,26)(H,25,27)


name: 12-Bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorododecane
cas: 99324-99-9
dtxsid: DTXSID10895262
formula: C12H8BrF17
inchikey: MGKUEUKJRIEPLH-UHFFFAOYSA-N
norman_susdat_id: NS00109322
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)CCCCBr
inchi:
InChI=1S/C12H8BrF17/c13-4-2-1-3-5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)11(26,27)12(28,29)30/h1-4H2


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iodododecane
cas: 99325-00-5
dtxsid: DTXSID80895279
formula: C12H8F17I
inchikey: IJBOBFHYUFMKPT-UHFFFAOYSA-N
norman_susdat_id: NS00111720
smiles: CCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C12H8F17I/c1-2-4(30)3-5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h4H,2-3H2,1H3


name: 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-1-phenylnonane-1,3-dione
cas: 99338-16-6
dtxsid: DTXSID50382161
formula: C15H7F13O2
inchikey: JPSBONQIRUMUCY-UHFFFAOYSA-N
norman_susdat_id: NS00110541
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)CC(=O)C1=CC=CC=C1
inchi:
InChI=1S/C15H7F13O2/c16-10(17,9(30)6-8(29)7-4-2-1-3-5-7)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h1-5H,6H2


cas: 99377-78-3
norman_susdat_id: NS00113566
name:
Phenol, polymer with formaldehyde, glycidyl ether, polymers with [(methylphenoxy)methyl]oxirane and triethylenetetramine


name: Triethyltin chloride
cas: 994-31-0
dtxsid: DTXSID8075043
formula: C6H15Sn
inchikey: PIMYDFDXAUVLON-UHFFFAOYSA-M
norman_susdat_id: NS00042153
pubchem_cid: NA
smiles: [Cl-].[Sn+](CC)(CC)CC
inchi:
InChI=1/3C2H5.ClH.Sn/c3*1-2;;/h3*1H2,2H3;1H;/q;;;;+1/p-1/rC6H15Sn.ClH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H/q+1;/p-1


name: Triethyltin hydroxide
cas: 994-32-1
formula: C6H16OSn
inchikey: NOTHDSKXLBUIMB-UHFFFAOYSA-M
norman_susdat_id: NS00079928
smiles: [OH-].CC[Sn+](CC)CC
inchi:
InChI=1/3C2H5.H2O.Sn/c3*1-2;;/h3*1H2,2H3;1H2;/q;;;;+1/p-1/rC6H15Sn.H2O/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H2/q+1;/p-1


name: N-Desmethylterbinafine
cas: 99473-11-7
chemspiderid: 4947261
formula: C20H23N1
inchikey: IZJZLXQHMWUCIC-UHFFFAOYSA-N
norman_susdat_id: NS00006458
pubchem_cid: 188542
smiles: CC(C)(C)C#CC=CCNCc1cccc2ccccc12
inchi:
InChI=1S/C20H23N/c1-20(2,3)14-7-4-8-15-21-16-18-12-9-11-17-10-5-6-13-19(17)18/h4-6,8-13,21H,15-16H2,1-3H3


name: Carboxy Terbinafine
cas: 99473-14-0
chemspiderid: 4947262
formula: C21H23N1O2
inchikey: DSPCPJFHUUUMEV-UHFFFAOYSA-N
norman_susdat_id: NS00004828
pubchem_cid: 188543
smiles: CN(CC=CC#CC(C)(C)C(O)=O)Cc1cccc2ccccc12
inchi:
InChI=1S/C21H23NO2/c1-21(2,20(23)24)14-7-4-8-15-22(3)16-18-12-9-11-17-10-5-6-13-19(17)18/h4-6,8-13H,15-16H2,1-3H3,(H,23,24)


name: N-Desmethylcarboxy Terbinafine
cas: 99473-15-1
chemspiderid: 4947263
formula: C20H21N1O2
inchikey: HLMXKUJHRUTHIL-UHFFFAOYSA-N
norman_susdat_id: NS00006511
pubchem_cid: 188544
smiles: CC(C)(C#CC=CCNCc1cccc2ccccc12)C(O)=O
inchi:
InChI=1S/C20H21NO2/c1-20(2,19(22)23)13-6-3-7-14-21-15-17-11-8-10-16-9-4-5-12-18(16)17/h3-5,7-12,21H,14-15H2,1-2H3,(H,22,23)


name: Cumyluron
cas: 99485-76-4
chebiid: CHEBI:81738
chemspiderid: 9883971
dtxsid: DTXSID7052862
formula: C17H19Cl1N2O1
inchikey: VYNOULHXXDFBLU-UHFFFAOYSA-N
norman_susdat_id: NS00001707
pubchem_cid: 11709249
smiles: CC(C)(NC(O)=NCc1ccccc1Cl)c1ccccc1
inchi:
InChI=1S/C17H19ClN2O/c1-17(2,14-9-4-3-5-10-14)20-16(21)19-12-13-8-6-7-11-15(13)18/h3-11H,12H2,1-2H3,(H2,19,20,21)


name: Carboxyamidotriazole
cas: 99519-84-3
dtxsid: DTXSID40244108
formula: C17H12Cl3N5O2
inchikey: WNRZHQBJSXRYJK-UHFFFAOYSA-N
norman_susdat_id: NS00068302
pubchem_cid: 108144
smiles: NC(=O)c1nnn(Cc2cc(Cl)c(C(=O)c3ccc(Cl)cc3)c(Cl)c2)c1N
inchi:
InChI=1S/C17H12Cl3N5O2/c18-10-3-1-9(2-4-10)15(26)13-11(19)5-8(6-12(13)20)7-25-16(21)14(17(22)27)23-24-25/h1-6H,7,21H2,(H2,22,27)


name: (+)-Antibiotic K 252a
cas: 99533-80-9
chebiid: CHEBI:43616
chemspiderid: 2299962
dtxsid: DTXSID40880065
formula: C27H21N3O5
inchikey: KOZFSFOOLUUIGY-SOLYNIJKSA-N
norman_susdat_id: NS00011816
pubchem_cid: 3035817
smiles: C[C@@]12[C@](C[C@@H](O1)n3c4ccccc4c5c3c6n2c7ccccc7c6c8c5C(=O)NC8)(C(=O)OC)O
inchi:
InChI=1S/C27H21N3O5/c1-26-27(33,25(32)34-2)11-18(35-26)29-16-9-5-3-7-13(16)20-21-15(12-28-24(21)31)19-14-8-4-6-10-17(14)30(26)23(19)22(20)29/h3-10,18,33H,11-12H2,1-2H3,(H,28,31)/t18-,26+,27+/m1/s1


name: 1-(allyloxy)-3-(octadeca-8,11-dienyloxy)propan-2-ol
cas: 99573-81-6
formula: C24H44O3
inchikey: MGJBAWDTOVCMPW-UHFFFAOYSA-N
norman_susdat_id: NS00065863
pubchem_cid: 113517
smiles: OC(COCC=C)COCCCCCCCC=CCC=CCCCCCC
inchi:
InChI=1/C24H44O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-27-23-24(25)22-26-20-4-2/h4,9-10,12-13,24-25H,2-3,5-8,11,14-23H2,1H3


name: Sertaconazole
cas: 99592-32-2
chebiid: CHEBI:83682
chemspiderid: 59273
dtxsid: DTXSID0048551
formula: C20H15Cl3N2O1S1
inchikey: JLGKQTAYUIMGRK-UHFFFAOYSA-N
norman_susdat_id: NS00005415
pubchem_cid: 65863
smiles: Clc1ccc(C(Cn2ccnc2)OCc2csc3c(Cl)cccc23)c(Cl)c1
inchi:
InChI=1S/C20H15Cl3N2OS/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22/h1-8,11-12,19H,9-10H2


name: Diytterbium trioxalate
cas: 996-34-9
formula: C6O12Yb2
inchikey: IZNXCWLIHXOHQI-UHFFFAOYSA-H
norman_susdat_id: NS00079954
smiles: [Yb+2].[Yb+2].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-].[O-]C(=O)C(=O)[O-]
inchi:
InChI=1/3C2H2O4.2Yb.4H/c3*3-1(4)2(5)6;;;;;;/h3*(H,3,4)(H,5,6);;;;;;/q;;;2*+2;;;;/p-6/r3C2H2O4.2H2Yb/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);2*1H2/q;;;2*+2/p-6


name: 1,1,1-trimethyl-N-(trimethylsilyl)-N-(trimethylstannyl)silylamine
cas: 996-37-2
dtxsid: DTXSID6061369
formula: C9H27NSi2Sn
inchikey: MLUZPJGIJKYKQM-UHFFFAOYSA-N
norman_susdat_id: NS00042649
pubchem_cid: NA
smiles: N([Si](C)(C)C)([Si](C)(C)C)[Sn](C)(C)C
inchi:
InChI=1/C6H18NSi2.3CH3.Sn/c1-8(2,3)7-9(4,5)6;;;;/h1-6H3;3*1H3;/q-1;;;;+1/rC9H27NSi2Sn/c1-11(2,3)10(12(4,5)6)13(7,8)9/h1-9H3


name: 3,15-Diacetyldeoxynivalenol
cas: 99604-10-1
dtxsid: DTXSID30891807
formula: C19H24O8
inchikey: RANGFOQREJPKIH-QZQWDYNDSA-N
norman_susdat_id: NS00094882
pubchem_cid: 21120844
smiles: CC1=C[C@@H]2[C@](C(C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)COC(=O)C
inchi:
InChI=1S/C19H24O8/c1-9-5-13-18(7-24-10(2)20,15(23)14(9)22)17(4)6-12(26-11(3)21)16(27-13)19(17)8-25-19/h5,12-13,15-16,23H,6-8H2,1-4H3/t12-,13-,15?,16-,17-,18-,19+/m1/s1


name: Cloquintocet-mexyl
cas: 99607-70-2
chebiid: CHEBI:143155
chemspiderid: 84430
dtxsid: DTXSID3041794
formula: C18H22Cl1N1O3
inchikey: COYBRKAVBMYYSF-UHFFFAOYSA-N
norman_susdat_id: NS00000113
pubchem_cid: 93528
smiles: CCCCCC(C)OC(=O)COC1=C2C(=C(C=C1)Cl)C=CC=N2
inchi:
InChI=1S/C18H22ClNO3/c1-3-4-5-7-13(2)23-17(21)12-22-16-10-9-15(19)14-8-6-11-20-18(14)16/h6,8-11,13H,3-5,7,12H2,1-2H3


name: Ondansetron
cas: 99614-02-5
chebiid: CHEBI:7773
chemspiderid: 4434
dtxsid: DTXSID8023393
formula: C18H19N3O1
inchikey: FELGMEQIXOGIFQ-UHFFFAOYSA-N
norman_susdat_id: NS00010141
pubchem_cid: 4595
smiles: Cc1nccn1CC1CCc2c(C1=O)c1ccccc1n2C
inchi:
InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3


name: Ondansetron, (3S)-
cas: 99614-58-1
dtxsid: DTXSID60244165
formula: C18H19N3O
inchikey: FELGMEQIXOGIFQ-ZDUSSCGKSA-N
norman_susdat_id: NS00076356
smiles: CN1C2=C(C3=CC=CC=C13)C(=O)[C@H](CN1C=CN=C1C)CC2
inchi:
InChI=1S/C18H19N3O/c1-12-19-9-10-21(12)11-13-7-8-16-17(18(13)22)14-5-3-4-6-15(14)20(16)2/h3-6,9-10,13H,7-8,11H2,1-2H3/t13-/m0/s1


name: Flomoxef
cas: 99665-00-6
chebiid: CHEBI:135813
chemspiderid: 59274
dtxsid: DTXSID5048845
formula: C15H18F2N6O7S2
inchikey: UHRBTBZOWWGKMK-DOMZBBRYSA-N
norman_susdat_id: NS00011563
pubchem_cid: 65864
smiles: CO[C@@]1([C@@H]2N(C1=O)C(=C(CO2)CSc3nnnn3CCO)C(=O)O)NC(=O)CSC(F)F
inchi:
InChI=1S/C15H18F2N6O7S2/c1-29-15(18-8(25)6-31-13(16)17)11(28)23-9(10(26)27)7(4-30-12(15)23)5-32-14-19-20-21-22(14)2-3-24/h12-13,24H,2-6H2,1H3,(H,18,25)(H,26,27)/t12-,15+/m1/s1


name: 1-[[(1-oxohexadecyl)oxy]methyl]ethylene 2,3-bis(acetoxy)succinate
cas: 99670-20-9
dtxsid: DTXSID40912557
formula: C35H54O18
inchikey: HYLBQTBNIARGCY-UHFFFAOYSA-M
norman_susdat_id: NS00065864
pubchem_cid: 113520
smiles: O=C(OC(C(=O)[O-])C(OC(=O)C)C(=O)OC(COC(=O)CCCCCCCCCCCCCCC)COC(=O)C(OC(=O)C)C(OC(=O)C)C(=O)O)C
inchi:
InChI=1/C35H54O18/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-27(40)47-20-26(53-35(46)31(52-25(5)39)29(33(43)44)50-23(3)37)21-48-34(45)30(51-24(4)38)28(32(41)42)49-22(2)36/h26,28-31H,6-21H2,1-5H3,(H,41,42)(H,43,44)/p-1


name: 1-[[(1-oxooctadecyl)oxy]methyl]ethylene 2,3-bis(acetoxy)succinate
cas: 99670-21-0
dtxsid: DTXSID80912556
formula: C37H58O18
inchikey: MGNDTAFZQITDRD-UHFFFAOYSA-M
norman_susdat_id: NS00066627
pubchem_cid: 113431
smiles: O=C(OC(C(=O)[O-])C(OC(=O)C)C(=O)OC(COC(=O)CCCCCCCCCCCCCCCCC)COC(=O)C(OC(=O)C)C(OC(=O)C)C(=O)O)C
inchi:
InChI=1/C37H58O18/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29(42)49-22-28(55-37(48)33(54-27(5)41)31(35(45)46)52-25(3)39)23-50-36(47)32(53-26(4)40)30(34(43)44)51-24(2)38/h28,30-33H,6-23H2,1-5H3,(H,43,44)(H,45,46)/p-1


name: Aluminium magnesium silicate(2:3:8)
cas: 99670-23-2
formula: Al.4H4O4Si.3/2Mg
inchikey: SIHKNVKQILNBHZ-UHFFFAOYSA-N
norman_susdat_id: NS00093176
inchi:
InChI=1/2Al.3Mg.8O3Si.12H/c;;;;;8*1-4(2)3;;;;;;;;;;;;/q2*+3;3*+2;8*-2;;;;;;;;;;;;/r2AlH3.3H2Mg.8O3Si/c;;;;;8*1-4(2)3/h2*1H3;3*1H2;;;;;;;;/q2*+3;3*+2;8*-2

smiles:
[MgH2].[MgH2].[MgH2].[AlH3].[AlH3].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-].[O-][Si](=O)[O-]


name: 1-phenyl-2,5,8,11,14-pentaoxahexadecan-16-yl dihydrogen phosphate, compound with morpholine (1:1)
cas: 99670-24-3
formula: C17H29O9P.C4H9NO
inchikey: WRSNDIOFCZIHMV-UHFFFAOYSA-N
norman_susdat_id: NS00092947
smiles: OP(=O)(O)OCCOCCOCCOCCOCCOCc1ccccc1.C2COCCN2
inchi:
InChI=1/C17H29O9P.C4H9NO/c18-27(19,20)26-15-14-24-11-10-22-7-6-21-8-9-23-12-13-25-16-17-4-2-1-3-5-17;1-3-6-4-2-5-1/h1-5H,6-16H2,(H2,18,19,20);5H,1-4H2


name: Bis[1-phenyl-2,5,8,11,14-pentaoxahexadecan-16-yl] hydrogen phosphate, sodium salt
cas: 99670-25-4
formula: C34H55O14P.Na
inchikey: ICTDZBKODTYJFP-UHFFFAOYSA-N
norman_susdat_id: NS00092948
smiles: [Na+].OP(=O)(OCCOCCOCCOCCOCCOCc1ccccc1)OCCOCCOCCOCCOCCOCc2ccccc2
inchi:
InChI=1/C34H55O14P.Na/c35-49(36,47-29-27-43-21-19-39-13-11-37-15-17-41-23-25-45-31-33-7-3-1-4-8-33)48-30-28-44-22-20-40-14-12-38-16-18-42-24-26-46-32-34-9-5-2-6-10-34;/h1-10H,11-32H2,(H,35,36);/q;+1


cas: 99670-26-5
formula: C17H29O9P.C4H11NO2
inchikey: HLWAVHXDLUYSBE-UHFFFAOYSA-N
norman_susdat_id: NS00092949
smiles: OCCNCCO.OP(=O)(O)OCCOCCOCCOCCOCCOCc1ccccc1
name:
1-phenyl-2,5,8,11,14-pentaoxahexadecan-16-yl dihydrogen phosphate, compound with 2,2'-iminobis[ethanol] (1:1)

inchi:
InChI=1/C17H29O9P.C4H11NO2/c18-27(19,20)26-15-14-24-11-10-22-7-6-21-8-9-23-12-13-25-16-17-4-2-1-3-5-17;6-3-1-5-2-4-7/h1-5H,6-16H2,(H2,18,19,20);5-7H,1-4H2


cas: 99670-27-6
formula: C34H55O14P.C4H11NO2
inchikey: AKSQJVCZEAYLSS-UHFFFAOYSA-N
norman_susdat_id: NS00092950
smiles: OCCNCCO.OP(=O)(OCCOCCOCCOCCOCCOCc1ccccc1)OCCOCCOCCOCCOCCOCc2ccccc2
name:
Bis[1-phenyl-2,5,8,11,14-pentaoxahexadecan-16-yl] hydrogen phosphate, compound with 2,2'-iminobis[ethanol] (1:1)

inchi:
InChI=1/C34H55O14P.C4H11NO2/c35-49(36,47-29-27-43-21-19-39-13-11-37-15-17-41-23-25-45-31-33-7-3-1-4-8-33)48-30-28-44-22-20-40-14-12-38-16-18-42-24-26-46-32-34-9-5-2-6-10-34;6-3-1-5-2-4-7/h1-10H,11-32H2,(H,35,36);5-7H,1-4H2


cas: 99670-28-7
dtxsid: DTXSID90244193
formula: C17H29O9P
inchikey: ZIEKPWHVLMGFPR-UHFFFAOYSA-N
norman_susdat_id: NS00065787
pubchem_cid: 44153019
smiles: O=P(O)(O)OCCOCCOCCOCCOCCOCC=1C=CC=CC1.OCCN
name:
1-phenyl-2,5,8,11,14-pentaoxahexadecan-16-yl dihydrogen phosphate, compound with 2-aminoethanol (1:1)

inchi:
InChI=1/C17H29O9P.C2H7NO/c18-27(19,20)26-15-14-24-11-10-22-7-6-21-8-9-23-12-13-25-16-17-4-2-1-3-5-17;3-1-2-4/h1-5H,6-16H2,(H2,18,19,20);4H,1-3H2


cas: 99670-29-8
formula: C34H55O14P.C2H7NO
inchikey: DCWVWKLSXLYWJJ-UHFFFAOYSA-N
norman_susdat_id: NS00093177
smiles: NCCO.OP(=O)(OCCOCCOCCOCCOCCOCc1ccccc1)OCCOCCOCCOCCOCCOCc2ccccc2
name:
Bis[1-phenyl-2,5,8,11,14-pentaoxahexadecan-16-yl] hydrogen phosphate, compound with 2-aminoethanol (1:1)

inchi:
InChI=1/C34H55O14P.C2H7NO/c35-49(36,47-29-27-43-21-19-39-13-11-37-15-17-41-23-25-45-31-33-7-3-1-4-8-33)48-30-28-44-22-20-40-14-12-38-16-18-42-24-26-46-32-34-9-5-2-6-10-34;3-1-2-4/h1-10H,11-32H2,(H,35,36);4H,1-3H2


cas: 99670-30-1
formula: C17H29O9P.C6H15NO3
inchikey: IDSSJTGEYMIWQQ-UHFFFAOYSA-N
norman_susdat_id: NS00092907
smiles: OCCN(CCO)CCO.OP(=O)(O)OCCOCCOCCOCCOCCOCc1ccccc1
name:
1-phenyl-2,5,8,11,14-pentaoxahexadecan-16-yl dihydrogen phosphate, compound with 2,2',2''-nitrilotri[ethanol] (1:1)

inchi:
InChI=1/C17H29O9P.C6H15NO3/c18-27(19,20)26-15-14-24-11-10-22-7-6-21-8-9-23-12-13-25-16-17-4-2-1-3-5-17;8-4-1-7(2-5-9)3-6-10/h1-5H,6-16H2,(H2,18,19,20);8-10H,1-6H2


cas: 99670-31-2
formula: C34H55O14P.C6H15NO3
inchikey: JPZNPITYWQYVBL-UHFFFAOYSA-N
norman_susdat_id: NS00093178
smiles: OCCN(CCO)CCO.OP(=O)(OCCOCCOCCOCCOCCOCc1ccccc1)OCCOCCOCCOCCOCCOCc2ccccc2
name:
Bis[1-phenyl-2,5,8,11,14-pentaoxahexadecan-16-yl] hydrogen phosphate, compound with 2,2',2''-nitrilotri[ethanol] (1:1)

inchi:
InChI=1/C34H55O14P.C6H15NO3/c35-49(36,47-29-27-43-21-19-39-13-11-37-15-17-41-23-25-45-31-33-7-3-1-4-8-33)48-30-28-44-22-20-40-14-12-38-16-18-42-24-26-46-32-34-9-5-2-6-10-34;8-4-1-7(2-5-9)3-6-10/h1-10H,11-32H2,(H,35,36);8-10H,1-6H2


name: N-[14-methyl-3,6,9,12-tetrakis(2-methylallyl)-3,6,9,12-tetraazapentadec-14-en-1-yl]nonan-1-amide
cas: 99670-32-3
dtxsid: DTXSID70244196
formula: C37H69N5O
inchikey: QZLFJNMNTNWCEG-UHFFFAOYSA-N
norman_susdat_id: NS00066628
pubchem_cid: 113521
smiles: O=C(NCCN(CC(=C)C)CCN(CC(=C)C)CCN(CC(=C)C)CCN(CC(=C)C)CC(=C)C)CCCCCCCC
inchi:
InChI=1/C37H69N5O/c1-12-13-14-15-16-17-18-37(43)38-19-20-39(27-32(2)3)21-22-40(28-33(4)5)23-24-41(29-34(6)7)25-26-42(30-35(8)9)31-36(10)11/h2,4,6,8,10,12-31H2,1,3,5,7,9,11H3,(H,38,43)


name: N-[14-methyl-3,6,9,12-tetrakis(2-methylallyl)-3,6,9,12-tetraazapentadec-14-en-1-yl]octanamide
cas: 99670-33-4
dtxsid: DTXSID30244197
formula: C36H67N5O
inchikey: WAKUGLRZLBUONI-UHFFFAOYSA-N
norman_susdat_id: NS00065919
pubchem_cid: 44153181
smiles: O=C(NCCN(CC(=C)C)CCN(CC(=C)C)CCN(CC(=C)C)CCN(CC(=C)C)CC(=C)C)CCCCCCC
inchi:
InChI=1/C36H67N5O/c1-12-13-14-15-16-17-36(42)37-18-19-38(26-31(2)3)20-21-39(27-32(4)5)22-23-40(28-33(6)7)24-25-41(29-34(8)9)30-35(10)11/h2,4,6,8,10,12-30H2,1,3,5,7,9,11H3,(H,37,42)


name: Isofenfos-methyl
cas: 99675-03-3
chemspiderid: 113043
formula: C14H22N1O4P1S1
inchikey: IXTOWLKEARFCCP-UHFFFAOYSA-N
norman_susdat_id: NS00003770
pubchem_cid: 127394
smiles: COP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C
inchi:
InChI=1S/C14H22NO4PS/c1-10(2)15-20(21,17-5)19-13-9-7-6-8-12(13)14(16)18-11(3)4/h6-11H,1-5H3,(H,15,21)


cas: 99688-42-3
formula: C34H55O14P.C4H9NO
inchikey: IBPZMFPHIBFRKT-UHFFFAOYSA-N
norman_susdat_id: NS00093179
smiles: OP(=O)(OCCOCCOCCOCCOCCOCc1ccccc1)OCCOCCOCCOCCOCCOCc2ccccc2.C3COCCN3
name:
Bis[1-phenyl-2,5,8,11,14-pentaoxahexadecan-16-yl] hydrogen phosphate, compound with morpholine (1:1)

inchi:
InChI=1/C34H55O14P.C4H9NO/c35-49(36,47-29-27-43-21-19-39-13-11-37-15-17-41-23-25-45-31-33-7-3-1-4-8-33)48-30-28-44-22-20-40-14-12-38-16-18-42-24-26-46-32-34-9-5-2-6-10-34;1-3-6-4-2-5-1/h1-10H,11-32H2,(H,35,36);5H,1-4H2


name: Sodium 2,5,8,11,14-pentaoxahexadecan-16-yl hydrogen phosphate
cas: 99688-43-4
dtxsid: DTXSID30912546
formula: C11H25O9P
inchikey: AQCLCQSSUNCAHX-UHFFFAOYSA-M
norman_susdat_id: NS00065809
pubchem_cid: 44151169
smiles: [Na+].O=P([O-])(O)OCCOCCOCCOCCOCCOC
inchi:
InChI=1/C11H25O9P.Na/c1-15-2-3-16-4-5-17-6-7-18-8-9-19-10-11-20-21(12,13)14;/h2-11H2,1H3,(H2,12,13,14);/q;+1/p-1


name: 6-[(5,10-dihydro-5,10-dioxoanthra[2,3-d]oxazol-2-yl)amino]naphth[2,3-c]acridine-5,8,14(13H)-trione
cas: 99688-44-5
dtxsid: DTXSID70912545
formula: C36H17N3O6
inchikey: WGQGTWQOPSSRGX-UHFFFAOYSA-N
norman_susdat_id: NS00066629
pubchem_cid: 21119047
smiles: O=C1C=2C=CC=CC2C(=O)C3=CC=4OC(=NC4C=C13)NC=5C=C6C(=O)C=7C=CC=CC7NC6=C8C(=O)C=9C=CC=CC9C(=O)C58
inchi:
InChI=1/C36H17N3O6/c40-31-16-7-1-2-8-17(16)32(41)22-15-27-25(13-21(22)31)38-36(45-27)39-26-14-23-30(37-24-12-6-5-11-20(24)33(23)42)29-28(26)34(43)18-9-3-4-10-19(18)35(29)44/h1-15H,(H,37,42)(H,38,39)


cas: 99688-45-6
formula: C45H17Cl3N2O5
inchikey: XDSNHOWNDZUMQB-UHFFFAOYSA-N
norman_susdat_id: NS00066138
pubchem_cid: NA
name:
Trichloro-12,24-dihydro-5H-naphtho[2,3-h]naphth[2'',3'':6',7']indolo[2',3':6,7]anthra[2,1,9-mna]acridine-5,10,13,18,25-pentone

inchi:
InChI=1/C45H17Cl3N2O5/c46-29-14-28-34(38(48)37(29)47)45(55)36-24(43(28)53)9-6-18-16-5-8-22-32-17(11-12-30(33(16)32)49-39(18)36)25-13-26-19-7-10-23-35(40(19)50-31(26)15-27(25)42(22)52)44(54)21-4-2-1-3-20(21)41(23)51/h1-15,49-50H

smiles:
O=C1C=2C=CC=CC2C(=O)C3=C1C=CC=4C=5C=C6C(=CC5NC43)C(=O)C7=CC=C8C=9C=CC=%10C(=O)C%11=CC(Cl)=C(Cl)C(Cl)=C%11C(=O)C%10C9NC=%12C=CC6=C7C%128


name: L-Saccharopine
cas: 997-68-2
chebiid: CHEBI:16927
chemspiderid: 1056
formula: C11H20N2O6
inchikey: ZDGJAHTZVHVLOT-YUMQZZPRSA-N
norman_susdat_id: NS00014873
pubchem_cid: 160556
smiles: O=C(O)C(N)CCCCNC(C(=O)O)CCC(=O)O
inchi:
InChI=1S/C11H20N2O6/c12-7(10(16)17)3-1-2-6-13-8(11(18)19)4-5-9(14)15/h7-8,13H,1-6,12H2,(H,14,15)(H,16,17)(H,18,19)/t7-,8-/m0/s1


name: Rotigotine
cas: 99755-59-6
chemspiderid: 51867
dtxsid: DTXSID5046772
formula: C19H25N1O1S1
inchikey: KFQYTPMOWPVWEJ-UHFFFAOYSA-N
norman_susdat_id: NS00002770
pubchem_cid: 57537
smiles: CCCN(CCc1cccs1)C1CCc2c(O)cccc2C1
inchi:
InChI=1S/C19H25NOS/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21/h3-7,13,16,21H,2,8-12,14H2,1H3


name: N-hex-5-enyldodecanediamide
cas: 99769-53-6
dtxsid: DTXSID10244236
formula: C18H34N2O2
inchikey: KCJCDNRXZVJGMM-UHFFFAOYSA-N
norman_susdat_id: NS00066139
pubchem_cid: 113524
smiles: O=C(N)CCCCCCCCCCC(=O)NCCCCC=C
inchi:
InChI=1/C18H34N2O2/c1-2-3-4-13-16-20-18(22)15-12-10-8-6-5-7-9-11-14-17(19)21/h2H,1,3-16H2,(H2,19,21)(H,20,22)


name: N-(5-hexenyl)nonane-1,9-diamide
cas: 99769-54-7
dtxsid: DTXSID70244237
formula: C15H28N2O2
inchikey: BJBODOVMLCDGOC-UHFFFAOYSA-N
norman_susdat_id: NS00065677
pubchem_cid: 113525
smiles: O=C(N)CCCCCCCC(=O)NCCCCC=C
inchi:
InChI=1/C15H28N2O2/c1-2-3-4-10-13-17-15(19)12-9-7-5-6-8-11-14(16)18/h2H,1,3-13H2,(H2,16,18)(H,17,19)


name: 4-(4-methylenecyclohexylmethoxycarbonyl)benzoic acid
cas: 99769-55-8
dtxsid: DTXSID30244238
formula: C16H18O4
inchikey: FJWRKFZPEUYKET-UHFFFAOYSA-N
norman_susdat_id: NS00066140
pubchem_cid: 113526
smiles: O=C(O)C1=CC=C(C=C1)C(=O)OCC2CCC(=C)CC2
inchi:
InChI=1/C16H18O4/c1-11-2-4-12(5-3-11)10-20-16(19)14-8-6-13(7-9-14)15(17)18/h6-9,12H,1-5,10H2,(H,17,18)


name: [1-(hydroxymethyl)-2-[(1-oxohexadecyl)oxy]ethyl] hydrogen 2,3-diacetoxysuccinate
cas: 99769-58-1
dtxsid: DTXSID50912482
formula: C27H46O11
inchikey: QVORAESNJZSAMB-UHFFFAOYSA-N
norman_susdat_id: NS00065645
pubchem_cid: 113529
smiles: O=C(OC(C(=O)O)C(OC(=O)C)C(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCC)C
inchi:
InChI=1/C27H46O11/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(31)35-19-22(18-28)38-27(34)25(37-21(3)30)24(26(32)33)36-20(2)29/h22,24-25,28H,4-19H2,1-3H3,(H,32,33)


name: [1-(hydroxymethyl)-2-[(1-oxooctadecyl)oxy]ethyl] hydrogen 2,3-diacetoxysuccinate
cas: 99769-59-2
dtxsid: DTXSID90912481
formula: C29H50O11
inchikey: BSNLCQCLNQFWST-UHFFFAOYSA-N
norman_susdat_id: NS00065679
pubchem_cid: 113530
smiles: O=C(OC(C(=O)O)C(OC(=O)C)C(=O)OC(CO)COC(=O)CCCCCCCCCCCCCCCCC)C
inchi:
InChI=1/C29H50O11/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(33)37-21-24(20-30)40-29(36)27(39-23(3)32)26(28(34)35)38-22(2)31/h24,26-27,30H,4-21H2,1-3H3,(H,34,35)


name: Tetrakis(isobutyl)-µ-oxodialuminium
cas: 998-00-5
formula: C16H36Al2O
inchikey: CTNFGBKAHAEKFE-UHFFFAOYSA-N
norman_susdat_id: NS00080181
smiles: CC(C)C[Al](CC(C)C)O[Al](CC(C)C)CC(C)C
inchi:
InChI=1/4C4H9.2Al.O/c4*1-4(2)3;;;/h4*4H,1H2,2-3H3;;;/rC16H36Al2O/c1-13(2)9-17(10-14(3)4)19-18(11-15(5)6)12-16(7)8/h13-16H,9-12H2,1-8H3


name: Nudicauline
cas: 99815-83-5
chebiid: CHEBI:7657
chemspiderid: 441750
formula: C38H50N2O11
inchikey: IPWQJEONCUFCOR-RNNMQTRDSA-N
norman_susdat_id: NS00094375
pubchem_cid: 390352
smiles:
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC(=O)C)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)C[C@@H](C8=O)C


name: ETHYL METHOXYCINNA- MATE
cas: 99880-64-5
chebiid: CHEBI:142497
chemspiderid: 4515097
formula: C25H50O4
inchikey: OKMWKBLSFKFYGZ-UHFFFAOYSA-N
norman_susdat_id: NS00013665
pubchem_cid: 5362585
smiles: CCCCCCCCCCCCCCCCCCCCCC([O-])=O.CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(O)CO
inchi:
InChI=1S/C25H50O4.C22H44O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)29-23-24(27)22-26;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h24,26-27H,2-23H2,1H3;2-21H2,1H3,(H,23,24)/p-1


name: 9-stearyl-9-phosphabicyclo[3.3.1]nonane
cas: 99886-25-6
dtxsid: DTXSID80244283
formula: C26H51P
inchikey: CMTVKSLVXRIWBW-UHFFFAOYSA-N
norman_susdat_id: NS00065647
pubchem_cid: 113537
smiles: P1(CCCCCCCCCCCCCCCCCC)C2CCCC1CCC2
inchi:
InChI=1/C26H51P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-27-25-20-18-21-26(27)23-19-22-25/h25-26H,2-24H2,1H3


name: 9-stearyl-9-phosphabicyclo[4.2.1]nonane
cas: 99886-26-7
dtxsid: DTXSID90912426
formula: C26H51P
inchikey: RHBPCOITPOBTBL-UHFFFAOYSA-N
norman_susdat_id: NS00065648
pubchem_cid: 113538
smiles: P1(CCCCCCCCCCCCCCCCCC)C2CCCCC1CC2
inchi:
InChI=1/C26H51P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-24-27-25-20-17-18-21-26(27)23-22-25/h25-26H,2-24H2,1H3


cas: 99908-28-8
dtxsid: DTXSID20882800
norman_susdat_id: NS00109619
name:
Carbamic acid, [2-methyl-5-[[[2-[[(heptadecafluorooctyl)sulfonyl]methylamino]ethoxy]carbonyl]amino]phenyl]-, 2-[[(heptadecafluorooctyl)sulfonyl]propylamino]ethyl ester


name: 1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxyisoquinolinium dihydrogen phosphate
cas: 99948-80-8
formula: C20H23NO4.H3O4P
inchikey: AUHDGLOATXLEDD-UHFFFAOYSA-L
norman_susdat_id: NS00092833
smiles: COc1ccc(CC2=[NH+]CCc3cc(OC)c(OC)cc23)cc1OC.[O-]P(=O)([O-])[O-]
inchi:
InChI=1/C20H23NO4.H3O4P/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;1-5(2,3)4/h5-6,10-12H,7-9H2,1-4H3;(H3,1,2,3,4)/p-2


name: 2,6-bis(1-phenylethyl)phenyl dihydrogen phosphate, compound with 2,2',2''-nitrilotri[ethanol] (1:2)
cas: 99948-81-9
dtxsid: DTXSID60912377
formula: C22H23O4P
inchikey: MQBNTASTDQMCCD-UHFFFAOYSA-N
norman_susdat_id: NS00065701
pubchem_cid: 44150305
smiles: O=P(O)(O)OC=1C(=CC=CC1C(C=2C=CC=CC2)C)C(C=3C=CC=CC3)C.OCCN(CCO)CCO.OCCN(CCO)CCO
inchi:
InChI=1/C22H23O4P.2C6H15NO3/c1-16(18-10-5-3-6-11-18)20-14-9-15-21(22(20)26-27(23,24)25)17(2)19-12-7-4-8-13-19;2*8-4-1-7(2-5-9)3-6-10/h3-17H,1-2H3,(H2,23,24,25);2*8-10H,1-6H2


name: (2-hydroxyethyl)oleoylammonium acetate
cas: 99948-82-0
formula: C20H39NO2.C2H4O2
inchikey: UFTUDXHSYMWWEG-KVVVOXFISA-N
norman_susdat_id: NS00092834
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)[NH2+]CCO.CC(=O)[O-]
inchi:
InChI=1/C20H39NO2.C2H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22;1-2(3)4/h9-10,22H,2-8,11-19H2,1H3,(H,21,23);1H3,(H,3,4)


name: Dipotassium pentadecyl phosphate
cas: 99948-84-2
formula: C15H33O4P.2K
inchikey: MQYUJGGCLVBWLF-UHFFFAOYSA-L
norman_susdat_id: NS00092835
smiles: [K+].[K+].CCCCCCCCCCCCCCCOP(=O)([O-])[O-]
inchi:
InChI=1/C15H33O4P.2K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-20(16,17)18;;/h2-15H2,1H3,(H2,16,17,18);;/q;2*+1/p-2


name: collodion
cas: 99994-22-6
chemspiderid: 628507
formula: C20H17N4
inchikey: VCENNVLGXGBYPH-UHFFFAOYSA-N
norman_susdat_id: NS00007869
pubchem_cid: 720072
smiles: N(c1nn(c[n+]1-c1ccccc1)-c1ccccc1)c1ccccc1
inchi:
InChI=1S/C20H17N4/c1-4-10-17(11-5-1)21-20-22-24(19-14-8-3-9-15-19)16-23(20)18-12-6-2-7-13-18/h1-16H,(H,21,22)/q+1


name: [3,2-c]Pyrazole-5α-androstan-17β-ol
cas: 99996-65-3
chemspiderid: 10071620
formula: C20H30N2O1
inchikey: GZCJWTCFQKPYQN-YNZDMMAESA-N
norman_susdat_id: NS00018457
pubchem_cid: 11897297
smiles: CC12CCC3C(C1CCC2O)CCC4C3(CC5=C(C4)NN=C5)C
inchi:
InChI=1S/C20H30N2O/c1-19-8-7-16-14(15(19)5-6-18(19)23)4-3-13-9-17-12(11-21-22-17)10-20(13,16)2/h11,13-16,18,23H,3-10H2,1-2H3,(H,21,22)/t13-,14-,15-,16-,18-,19-,20-/m0/s1


name: Chlorophyll a
cas: 479-61-8
chemspiderid: 16736115
dtxsid: DTXSID90889346
formula: C55H72MgN4O5
inchikey: ATNHDLDRLWWWCB-AENOIHSZSA-M
pubchem_cid: 6433192
eea: 3164-01-0
eea_notation: EEA_3164-01-0
inchi:
InChI=1S/C55H73N4O5.Mg/c1-13-39-35(8)42-28-44-37(10)41(24-25-48(60)64-27-26-34(7)23-17-22-33(6)21-16-20-32(5)19-15-18-31(3)4)52(58-44)50-51(55(62)63-12)54(61)49-38(11)45(59-53(49)50)30-47-40(14-2)36(9)43(57-47)29-46(39)56-42;/h13,26,28-33,37,41,51H,1,14-25,27H2,2-12H3,(H-,56,57,58,59,61);/q-1;+2/p-1/b34-26+;/t32-,33-,37+,41+,51-;/m1./s1

smiles:
CCC1=C(C2=NC1=CC3=C(C4=C([N-]3)C(=C5C(C(C(=N5)C=C6C(=C(C(=C2)[N-]6)C=C)C)C)CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C(C4=O)C(=O)OC)C)C.[Mg+2]


cas: none
eea: 33-52-3
eea_notation: EEA_33-52-3
name:
Total neonicotinoid insecticides (imidacloprid + thiacloprid + thiamethoxam + clothianidin + acetamiprid)


cas: none
eea: 33-56-7
eea_notation: EEA_33-56-7
name:
Total PAHs (Benzo(a)pyrene, Benzo(b)fluoranthene, Benzo(k)fluoranthene, Benzo(ghi)perylene, Indeno(1,2,3-cd)pyrene)


cas: none
eea: 33-62-5
eea_notation: EEA_33-62-5
name:
Total PAHs (4 PAHs: Benzo(a)pyrene, Benzo(b)fluoranthene, Benzo(k)fluoranthene, Indeno(1,2,3-cd)pyrene)


cas: none
eea: 34-01-5
eea_notation: EEA_34-01-5
name:
Pesticides (Active substances in pesticides, including their relevant metabolites, degradation and reaction products)


cas: none
eea: 33-69-2
eea_notation: EEA_33-69-2
name:
Total hexachlorinated dibenzofurans (1,2,3,4,7,8-hexachlorodibenzofuran + 1,2,3,4,7,9-hexachlorodibenzofuran


cas: none
eea: 33-74-9
eea_notation: EEA_33-74-9
name:
Total 20 PFAS (Drinking Water Directive - PFBA, PFPA, PFHxA, PFHpA, PFOA, PFNA, PFDA, PFUnDA, PFDoDA, PFTrDA, PFBS, PFPS, PFHxS, PFHpS, PFOS, PFNS, PFDS,PFUnS, PFDoS, PFTrS)


cas: none
eea: 33-68-1
eea_notation: EEA_33-68-1
name:
Total pentachlorinated dibenzofurans (1,2,3,4,8-pentachlorodibenzofuran + 1,2,3,7,8-pentachlorodibenzofuran)


# cl_class

class_array:
carbamate_herbicide|carbanilate_herbicide|growth_inhibitor|herbicide|plant_growth_regulator|pesticide


class_array:
pyrethroid_acaricide|pyrethroid_ester_acaricide|pyrethroid_ester_insecticide|pyrethroid_insecticide|acaricide|insecticide|pesticide


class_array:
mite_growth_regulator|benzoylphenylurea_chitin_synthesis_inhibitor|chitin_synthesis_inhibitor|insect_growth_regulator|acaricide|insecticide|pesticide|biocide


class_array:
organophosphorus_acaricide|phosphoramidothioate_acaricide|organophosphorus_insecticide|phosphoramidothioate_insecticide|acaricide|insecticide|pesticide


class_array:
benzoylphenylurea_chitin_synthesis_inhibitor|chitin_synthesis_inhibitor|insect_growth_regulator|insecticide|pesticide


class_array:
organophosphorus_insecticide|organothiophosphate_insecticide|phthalimide_insecticide|acaricide|insecticide|pesticide|organophosphorus_acaricide|organothiophosphate_acaricide|phthalimide_acaricide|heterocyclic_organothiophosphate_insecticide|isoindole_organothiophosphate_insecticide


class_array:
neonicotinoid_insecticide|nitroguanidine_neonicotinoid_insecticide|thiazole_insecticide|insecticide|pesticide


class_array:
drug|benzimidazole_fungicide|antinematodal_drug|benzimidazolylcarbamate_fungicide|carbamate_fungicide|fungicide|pesticide


class_array:
organophosphate_acaricide|organophosphorus_acaricide|organophosphate_insecticide|organophosphorus_insecticide|acaricide|insecticide|pesticide


class_array:
organophosphorus_acaricide|organothiophosphate_acaricide|aliphatic_amide_organothiophosphate_insecticide|aliphatic_organothiophosphate_insecticide|organophosphorus_insecticide|organothiophosphate_insecticide|acaricide|insecticide|pesticide


class_array:
pyrethroid_acaricide|pyrethroid_ether_acaricide|pyrethroid_ether_insecticide|pyrethroid_insecticide|acaricide|insecticide|pesticide


class_array:
neonicotinoid_insecticide|pyridylmethylamine_neonicotinoid_insecticide|thiazolidine_insecticide|molluscicide|insecticide|pesticide


class_array:
carbamate_acaricide|carbamate_insecticide|phenyl_methylcarbamate_insecticide|acaricide|insecticide|pesticide


class_array:
mite_growth_regulator|benzoylphenylurea_chitin_synthesis_inhibitor|chitin_synthesis_inhibitor|insect_growth_regulator|acaricide|insecticide|pesticide


class_array:
macrocyclic_lactone_acaricide|milbemycin_acaricide|macrocyclic_lactone_insecticide|milbemycin_insecticide|acaricide|insecticide|pesticide


class_array:
organophosphorus_acaricide|phosphorodiamide_acaricide|organophosphorus_insecticide|phosphorodiamide_insecticide|acaricide|insecticide|pesticide


class_array:
organochlorine_acaricide|cyclodiene_insecticide|organochlorine_insecticide|acaricide|insecticide|pesticide


class_array:
organophosphorus_insecticide|organothiophosphate_insecticide|phenyl_organothiophosphate_insecticide|nematicide|insecticide|pesticide


class_array:
organophosphorus_insecticide|organothiophosphate_insecticide|phenyl_organothiophosphate_insecticide|insecticide|pesticide


class_array:
carbamate_acaricide|oxime_carbamate_acaricide|carbamate_insecticide|oxime_carbamate_insecticide|nematicide|acaricide|insecticide|pesticide


class_array:
antibiotic_fungicide|methoxyacrylate_strobilurin_fungicide|strobilurin_fungicide|fungicide|pesticide


class_array:
avermectin_acaricide|macrocyclic_lactone_acaricide|avermectin_insecticide|macrocyclic_lactone_insecticide|acaricide|insecticide|pesticide


class_array:
heterocyclic_organothiophosphate_insecticide|organophosphorus_insecticide|organothiophosphate_insecticide|insecticide|pesticide


class_array:
pyrazole_acaricide|pyrazolecarboxamide_acaricide|pyrazole_insecticide|pyrazolecarboxamide_insecticide|acaricide|insecticide|pesticide


class_array:
phenylpyrazole_acaricide|pyrazole_acaricide|phenylpyrazole_insecticide|pyrazole_insecticide|acaricide|insecticide|pesticide


class_array:
pyrazole_herbicide|pyrimidinylsulfonylurea_herbicide|sulfonylurea_herbicide|urea_herbicide|herbicide|pesticide


class_array:
organophosphorus_acaricide|organothiophosphate_acaricide|aliphatic_organothiophosphate_insecticide|organophosphorus_insecticide|organothiophosphate_insecticide|acaricide|insecticide|pesticide


class_array:
aromatic_acid_herbicide|benzoic_acid_herbicide|pyrimidinylthiobenzoic_acid_herbicide|herbicide|pesticide


class_array:
bird_repellent|carbamate_insecticide|phenyl_methylcarbamate_insecticide|mammal_repellent|molluscicide|insecticide|pesticide


class_array:
aromatic_acid_herbicide|benzoic_acid_herbicide|pyrimidinyloxybenzoic_acid_herbicide|herbicide|pesticide


class_array:
organophosphorus_insecticide|phenyl_phenylphosphonothioate_insecticide|phosphonothioate_insecticide|insecticide|pesticide


class_array:
aliphatic_organothiophosphate_insecticide|organophosphorus_insecticide|organothiophosphate_insecticide|nematicide|insecticide|pesticide


class_array:
antinematodal_drug|aliphatic_organothiophosphate_insecticide|drug|organophosphorus_insecticide|organothiophosphate_insecticide|nematicide|insecticide|pesticide


class_array:
amide_fungicide|antibiotic_fungicide|methoxyiminoacetamide_strobilurin_fungicide|strobilurin_fungicide|fungicide|pesticide


class_array:
organophosphorus_fungicide|heterocyclic_organothiophosphate_insecticide|organophosphorus_insecticide|organothiophosphate_insecticide|pyrazolopyrimidine_organothiophosphate_insecticide|fungicide|insecticide|pesticide


class_array:
sulfonylurea_herbicide|pyrazole_herbicide|pyrimidinylsulfonylurea_herbicide|urea_herbicide|herbicide|pesticide


class_array:
pesticide|organophosphorus_acaricide|organothiophosphate_acaricide|heterocyclic_organothiophosphate_insecticide|organophosphorus_insecticide|organothiophosphate_insecticide|quinoxaline_organothiophosphate_insecticide|acaricide|insecticide


class_array:
nitroguanidine_neonicotinoid_insecticide|neonicotinoid_insecticide|pyridylmethylamine_neonicotinoid_insecticide|insecticide|pesticide


class_array:
triazolopyrimidine_herbicide|amide_herbicide|anilide_herbicide|sulfonanilide_herbicide|herbicide|pesticide


class_array:
strobilurin_fungicide|antibiotic_fungicide|methoxyiminoacetate_strobilurin_fungicide|fungicide|pesticide


class_array:
antibiotic_fungicide|methoxyiminoacetate_strobilurin_fungicide|strobilurin_fungicide|fungicide|pesticide


class_array:
heterocyclic_organothiophosphate_insecticide|organophosphorus_insecticide|insecticide|pesticide|organothiophosphate_insecticide


class_array:
amide_herbicide|anilide_herbicide|sulfonanilide_herbicide|herbicide|pesticide|triazolopyrimidine_herbicide


class_array:
amide_herbicide|sulfonanilide_herbicide|triazolopyrimidine_herbicide|herbicide|pesticide|anilide_herbicide


class_array:
organophosphorus_acaricide|organothiophosphate_acaricide|organophosphorus_insecticide|organothiophosphate_insecticide|oxime_organothiophosphate_insecticide|insecticide|pesticide|acaricide|aliphatic_organothiophosphate_insecticide


class_array:
pesticide|aliphatic_organothiophosphate_insecticide|organothiophosphate_insecticide|oxime_organothiophosphate_insecticide|insecticide|organophosphorus_insecticide


class_array:
insecticide|drug|pesticide|anthelminthic_drug|organophosphate_insecticide|organophosphorus_insecticide


class_array:
pesticide|methoxyiminoacetamide_strobilurin_fungicide|strobilurin_fungicide|amide_fungicide|fungicide|antibiotic_fungicide


class_array:
neonicotinoid_insecticide|insecticide|pesticide|pyridylmethylamine_neonicotinoid_insecticide|nitromethylene_neonicotinoid_insecticide


class_array:
acaricide|phosphorodiamide_insecticide|organophosphorus_acaricide|organophosphorus_insecticide|pesticide|phosphorodiamide_acaricide|insecticide


class_array:
neonicotinoid_insecticide|insecticide|pesticide|thiazole_insecticide|nitroguanidine_neonicotinoid_insecticide


class_array:
carbamate_insecticide|pesticide|carbamate_acaricide|nematicide|acaricide|insecticide|benzofuranyl_methylcarbamate_insecticide


class_array:
pesticide|herbicide|sulfonanilide_herbicide|amide_herbicide|anilide_herbicide|triazolopyrimidine_herbicide


class_array:
pesticide|macrocyclic_lactone_acaricide|insecticide|macrocyclic_lactone_insecticide|avermectin_acaricide|avermectin_insecticide|acaricide


class_array:
pesticide|aromatic_acid_herbicide|benzoic_acid_herbicide|pyrimidinyloxybenzoic_acid_herbicide|herbicide


class_array:
organothiophosphate_acaricide|organothiophosphate_insecticide|aliphatic_organothiophosphate_insecticide|organophosphorus_acaricide|organophosphorus_insecticide|acaricide|pesticide|insecticide


class_array:
acaricide|cyclodiene_insecticide|insecticide|organochlorine_acaricide|organochlorine_insecticide|pesticide


class_array:
organothiophosphate_insecticide|insecticide|organophosphorus_insecticide|pesticide|phenyl_organothiophosphate_insecticide


class_array:
carbanilate_fungicide|strobilurin_fungicide|phenylpyrazole_fungicide|pyrazole_fungicide|fungicide|antibiotic_fungicide|carbamate_fungicide|methoxycarbanilate_strobilurin_fungicide|pesticide


class_array:
anthelminthic_drug|nematicide|drug|carbamate_acaricide|benzimidazolylcarbamate_fungicide|fungicide|acaricide|carbamate_fungicide|benzimidazole_fungicide|pesticide


class_array:
pyrazole_fungicide|fungicide|pesticide|pyrazolecarboxamide_fungicide|amide_fungicide|thiophene_fungicide


class_array:
heterocyclic_organothiophosphate_insecticide|pesticide|organothiophosphate_insecticide|isoxazole_organothiophosphate_insecticide|organophosphorus_insecticide|insecticide


class_array:
thiadiazole_organothiophosphate_insecticide|pesticide|organothiophosphate_insecticide|insecticide|organophosphorus_insecticide|heterocyclic_organothiophosphate_insecticide


class_array:
insecticide|chitin_synthesis_inhibitor|pesticide|benzoylphenylurea_chitin_synthesis_inhibitor|insect_growth_regulator


class_array:
pesticide|carbamate_insecticide|carbamate_acaricide|acaricide|phenyl_methylcarbamate_insecticide|molluscicide|insecticide|bird_repellent


class_array:
organophosphorus_insecticide|phenyl_phenylphosphonothioate_insecticide|phosphonothioate_insecticide|pesticide|insecticide


class_array:
organophosphorus_acaricide|pesticide|organothiophosphate_acaricide|acaricide|organothiophosphate_insecticide|organophosphorus_insecticide|phenyl_organothiophosphate_insecticide|insecticide


class_array:
pesticide|insecticide|neonicotinoid_insecticide|nitroguanidine_neonicotinoid_insecticide|thiazole_insecticide


class_array:
organophosphorus_insecticide|pesticide|phosphonothioate_insecticide|phenyl_phenylphosphonothioate_insecticide|insecticide


class_array:
organophosphorus_acaricide|organophosphate_acaricide|organophosphorus_insecticide|pesticide|insecticide|acaricide|organophosphate_insecticide


class_array:
acaricide|pesticide|organophosphorus_acaricide|phenyl_organothiophosphate_insecticide|organothiophosphate_acaricide|insecticide|organophosphorus_insecticide|organothiophosphate_insecticide


class_array:
organothiophosphate_acaricide|organophosphorus_insecticide|organothiophosphate_insecticide|acaricide|aliphatic_organothiophosphate_insecticide|pesticide|insecticide|aliphatic_amide_organothiophosphate_insecticide|organophosphorus_acaricide


class_array:
organothiophosphate_insecticide|organophosphorus_insecticide|aliphatic_amide_organothiophosphate_insecticide|pesticide|organothiophosphate_acaricide|organophosphorus_acaricide|insecticide|aliphatic_organothiophosphate_insecticide|acaricide


class_array:
pesticide|organothiophosphate_insecticide|organothiophosphate_acaricide|organophosphorus_insecticide|organophosphorus_acaricide|insecticide|heterocyclic_organothiophosphate_insecticide|acaricide


class_array:
antinematodal_drug|oxime_carbamate_insecticide|drug|carbamate_insecticide|oxime_carbamate_acaricide|acaricide|pesticide|nematicide|insecticide|carbamate_acaricide


class_array:
insecticide|organothiophosphate_insecticide|pesticide|pyrimidine_organothiophosphate_insecticide|organophosphorus_insecticide|heterocyclic_organothiophosphate_insecticide


class_array:
pesticide|insecticide|organophosphate_insecticide|organophosphorus_acaricide|organophosphate_acaricide|organophosphorus_insecticide|acaricide


class_array:
nematicide|triazole_organothiophosphate_insecticide|insecticide|organothiophosphate_acaricide|acaricide|organophosphorus_acaricide|organothiophosphate_insecticide|pesticide|organophosphorus_insecticide|heterocyclic_organothiophosphate_insecticide


class_array:
dicarboximide_fungicide|pesticide|pyrrole_fungicide|fungicide|dichlorophenyl_dicarboximide_fungicide


class_array:
dichlorophenyl_dicarboximide_fungicide|dicarboximide_fungicide|fungicide|oxazole_fungicide|pesticide


class_array:
organophosphorus_acaricide|insecticide|acaricide|phosphoramidothioate_acaricide|phosphoramidothioate_insecticide|pesticide|organophosphorus_insecticide


class_array:
botanical_insecticide|botanical_fungicide|acaricide|quaternary_ammonium_acaricide|fungicide|botanical_acaricide|pesticide|quaternary_ammonium_fungicide|insecticide|quaternary_ammonium_insecticide


class_array:
insecticide|organophosphorus_insecticide|phenyl_organothiophosphate_insecticide|organothiophosphate_insecticide|pesticide


class_array:
amide_fungicide|strobilurin_fungicide|fungicide|methoxyiminoacetamide_strobilurin_fungicide|antibiotic_fungicide|pesticide


class_array:
organothiophosphate_insecticide|pesticide|organophosphorus_insecticide|aliphatic_organothiophosphate_insecticide|insecticide


class_array:
organothiophosphate_acaricide|organophosphorus_insecticide|pesticide|insecticide|aliphatic_organothiophosphate_insecticide|acaricide|organothiophosphate_insecticide|organophosphorus_acaricide


class_array:
pesticide|oxime_carbamate_acaricide|oxime_carbamate_insecticide|insecticide|carbamate_insecticide|acaricide|carbamate_acaricide


class_array:
pesticide|acaricide|organothiophosphate_insecticide|insecticide|organophosphorus_acaricide|organophosphorus_insecticide|organothiophosphate_acaricide|aliphatic_amide_organothiophosphate_insecticide|aliphatic_organothiophosphate_insecticide


class_array:
pesticide|aryloxyphenoxypropionic_herbicide|phenoxy_herbicide|anilide_herbicide|herbicide|amide_herbicide|phenoxypropionic_herbicide


class_array:
insecticide|organothiophosphate_insecticide|organophosphorus_insecticide|pesticide|aliphatic_organothiophosphate_insecticide


class_array:
pesticide|organothiophosphate_acaricide|organophosphorus_acaricide|organophosphorus_insecticide|aliphatic_amide_organothiophosphate_insecticide|aliphatic_organothiophosphate_insecticide|insecticide|acaricide|organothiophosphate_insecticide


class_array:
organothiophosphate_insecticide|organophosphorus_insecticide|pesticide|insecticide|phenyl_organothiophosphate_insecticide


class_array:
phenyl_organothiophosphate_insecticide|organothiophosphate_insecticide|organophosphorus_insecticide|pesticide|insecticide


class_array:
insecticide|heterocyclic_organothiophosphate_insecticide|pesticide|organophosphorus_acaricide|benzotriazine_organothiophosphate_insecticide|organothiophosphate_acaricide|acaricide|organophosphorus_insecticide|organothiophosphate_insecticide


class_array:
organophosphorus_insecticide|insecticide|pesticide|organothiophosphate_insecticide|heterocyclic_organothiophosphate_insecticide|thiadiazole_organothiophosphate_insecticide


class_array:
pesticide|organothiophosphate_insecticide|aliphatic_organothiophosphate_insecticide|organothiophosphate_acaricide|insecticide|acaricide|organophosphorus_acaricide|organophosphorus_insecticide


class_array:
organophosphorus_insecticide|organophosphorus_acaricide|heterocyclic_organothiophosphate_insecticide|organothiophosphate_acaricide|insecticide|pesticide|organothiophosphate_insecticide|acaricide


class_array:
organothiophosphate_insecticide|organophosphorus_insecticide|pyridine_organothiophosphate_insecticide|organothiophosphate_acaricide|organophosphorus_acaricide|insecticide|pesticide|nematicide|acaricide|heterocyclic_organothiophosphate_insecticide


class_array:
organophosphorus_acaricide|organothiophosphate_insecticide|organothiophosphate_acaricide|acaricide|heterocyclic_organothiophosphate_insecticide|organophosphorus_insecticide|insecticide|pesticide|pyrimidine_organothiophosphate_insecticide


class_array:
phenyl_organothiophosphate_insecticide|pesticide|insecticide|organothiophosphate_insecticide|organophosphorus_insecticide


class_array:
aliphatic_organothiophosphate_insecticide|pesticide|organothiophosphate_acaricide|organophosphorus_acaricide|acaricide|insecticide|organophosphorus_insecticide|nematicide|organothiophosphate_insecticide


class_array:
organophosphorus_insecticide|aliphatic_organothiophosphate_insecticide|organothiophosphate_insecticide|acaricide|pesticide|organothiophosphate_acaricide|insecticide|organophosphorus_acaricide


class_array:
organophosphorus_insecticide|organophosphorus_acaricide|pesticide|aliphatic_organothiophosphate_insecticide|organothiophosphate_acaricide|insecticide|acaricide|organothiophosphate_insecticide


class_array:
insecticide|organophosphorus_insecticide|pesticide|phenyl_organothiophosphate_insecticide|organothiophosphate_insecticide


class_array:
pesticide|organophosphate_acaricide|insecticide|organophosphorus_acaricide|acaricide|organophosphorus_insecticide|organophosphate_insecticide


class_array:
insecticide|organothiophosphate_insecticide|pesticide|organophosphorus_insecticide|aliphatic_organothiophosphate_insecticide


class_array:
pesticide|insecticide|phosphoramidothioate_insecticide|organophosphorus_insecticide|organophosphorus_acaricide|phosphoramidothioate_acaricide|acaricide


class_array:
insecticide|organophosphorus_insecticide|pesticide|phosphonothioate_insecticide|phenyl_ethylphosphonothioate_insecticide


class_array:
heterocyclic_organothiophosphate_insecticide|acaricide|organothiophosphate_acaricide|pyrimidine_organothiophosphate_insecticide|pesticide|organophosphorus_acaricide|insecticide|bird_repellent|organothiophosphate_insecticide|organophosphorus_insecticide


class_array:
phenyl_organothiophosphate_insecticide|pesticide|organophosphorus_insecticide|insecticide|organothiophosphate_insecticide


class_array:
organophosphorus_insecticide|phenyl_organothiophosphate_insecticide|insecticide|organothiophosphate_insecticide|pesticide


class_array:
carbamate_insecticide|acaricide|pesticide|insecticide|oxime_carbamate_insecticide|oxime_carbamate_acaricide|carbamate_acaricide


class_array:
chemosterilant|benzoylphenylurea_chitin_synthesis_inhibitor|insect_growth_regulator|chitin_synthesis_inhibitor|insecticide|pesticide


class_array:
benzoylphenylurea_chitin_synthesis_inhibitor|pesticide|chitin_synthesis_inhibitor|chemosterilant|insecticide|insect_growth_regulator


class_array:
organophosphorus_insecticide|insecticide|organothiophosphate_insecticide|pesticide|phenyl_organothiophosphate_insecticide


class_array:
benzoylphenylurea_chitin_synthesis_inhibitor|chitin_synthesis_inhibitor|pesticide|insecticide|insect_growth_regulator


class_array:
pesticide|heterocyclic_organothiophosphate_insecticide|insecticide|organophosphorus_insecticide|organothiophosphate_insecticide


class_array:
organothiophosphate_insecticide|pyrazolopyrimidine_organothiophosphate_insecticide|organophosphorus_insecticide|heterocyclic_organothiophosphate_insecticide|insecticide|pesticide


class_array:
organothiophosphate_insecticide|organophosphorus_insecticide|insecticide|aliphatic_organothiophosphate_insecticide|pesticide


class_array:
imidazole_fungicide|fungicide|dichlorophenyl_dicarboximide_fungicide|dicarboximide_fungicide|pesticide


class_array:
insecticide|acaricide|organothiophosphate_insecticide|organophosphorus_insecticide|organophosphorus_acaricide|organothiophosphate_acaricide|aliphatic_organothiophosphate_insecticide|pesticide


class_array:
pesticide|phosphorodiamide_insecticide|insecticide|organophosphorus_insecticide|acaricide|phosphorodiamide_acaricide|organophosphorus_acaricide


class_array:
acaricide|aliphatic_amide_organothiophosphate_insecticide|organophosphorus_acaricide|organothiophosphate_insecticide|pesticide|organophosphorus_insecticide|aliphatic_organothiophosphate_insecticide|organothiophosphate_acaricide|insecticide


class_array:
organophosphorus_insecticide|phenyl_organothiophosphate_insecticide|pesticide|organothiophosphate_insecticide|insecticide


class_array:
organophosphorus_insecticide|pesticide|pyrimidine_organothiophosphate_insecticide|organothiophosphate_insecticide|insecticide|heterocyclic_organothiophosphate_insecticide


class_array:
oxime_carbamate_acaricide|oxime_carbamate_insecticide|carbamate_acaricide|pesticide|insecticide|acaricide|carbamate_insecticide


class_array:
pesticide|pyrimidine_organothiophosphate_insecticide|organothiophosphate_insecticide|heterocyclic_organothiophosphate_insecticide|insecticide|organophosphorus_insecticide


class_array:
insecticide|pyrethroid_ester_acaricide|pyrethroid_acaricide|pyrethroid_ester_insecticide|pesticide|acaricide|pyrethroid_insecticide


class_array:
drug|non_steroidal_anti_inflammatory_drug|peripheral_nervous_system_drug|drug_allergen|antirheumatic_drug


class_array:
pesticide|phenyl_organothiophosphate_insecticide|organothiophosphate_insecticide|insecticide|organophosphorus_insecticide


class_array:
amide_fungicide|fungicide|carbamate_fungicide|benzothiazole_fungicide|valinamide_fungicide|pesticide


class_array:
pesticide|plant_growth_regulator|unclassified_herbicide|unclassified_plant_growth_regulator|herbicide


class_array:
amide_herbicide|herbicide|sulfonamide_herbicide|pyridine_herbicide|pesticide|triazolopyrimidine_herbicide


class_array:
triazole_organothiophosphate_insecticide|insecticide|heterocyclic_organothiophosphate_insecticide|organothiophosphate_insecticide|nematicide|organophosphorus_insecticide|pesticide


class_array:
fungicide|pesticide|insecticide|nematicide|herbicide|fumigant_herbicide|fumigant_fungicide|fumigant_insecticide


class_array:
organophosphate_acaricide|acaricide|organophosphate_insecticide|organophosphorus_insecticide|insecticide|pesticide|organophosphorus_acaricide


class_array:
organothiophosphate_acaricide|phenyl_organothiophosphate_insecticide|organothiophosphate_insecticide|insecticide|organophosphorus_acaricide|organophosphorus_insecticide|acaricide|pesticide


class_array:
pyrazole_fungicide|anilide_fungicide|pyrazolecarboxamide_fungicide|fungicide|amide_fungicide|pesticide


class_array:
pesticide|botanical_insecticide|botanical_fungicide|botanical_acaricide|insecticide|acaricide|fungicide|nematicide


class_array:
organochlorine_insecticide|organochlorine_acaricide|bridged_diphenyl_acaricide|pesticide|insecticide|acaricide


class_array:
organothiophosphate_insecticide|heterocyclic_organothiophosphate_insecticide|pesticide|organophosphorus_insecticide|insecticide


class_array:
oxazole_fungicide|dicarboximide_fungicide|dichlorophenyl_dicarboximide_fungicide|fungicide|pesticide


class_array:
carbamate_insecticide|insecticide|nematicide|pesticide|phenyl_methylcarbamate_insecticide|molluscicide


class_array:
pyrethroid_insecticide|insecticide|pyrethroid_ester_insecticide|pyrethroid_ester_acaricide|pyrethroid_acaricide|acaricide|pesticide


class_array:
plant_growth_regulator|herbicide|pesticide|thiadiazolylurea_herbicide|phenylurea_herbicide|defoliant|urea_herbicide


class_array:
acaricide|anthelminthic_drug|insecticide|drug|organophosphorus_insecticide|organophosphorus_acaricide|phosphonate_acaricide|pesticide|phosphonate_insecticide


class_array:
drug|organothiophosphate_insecticide|anthelminthic_drug|insecticide|organophosphorus_insecticide|phenyl_organothiophosphate_insecticide|pesticide


class_array:
organothiophosphate_insecticide|acaricide|organothiophosphate_acaricide|heterocyclic_organothiophosphate_insecticide|insecticide|pyrimidine_organothiophosphate_insecticide|organophosphorus_acaricide|pesticide|organophosphorus_insecticide


class_array:
pyrethroid_ester_insecticide|pyrethroid_acaricide|pesticide|pyrethroid_ester_acaricide|pyrethroid_insecticide|insecticide|acaricide


class_array:
pesticide|pyrethroid_ester_insecticide|insecticide|pyrethroid_ester_acaricide|pyrethroid_acaricide|pyrethroid_insecticide|acaricide


class_array:
pesticide|nematicide|cyclic_dithiocarbamate_fungicide|fungicide|herbicide|dithiocarbamate_herbicide|dithiocarbamate_fungicide


class_array:
fungicide|dinitrophenol_acaricide|acaricide|dinitrophenol_insecticide|dinitrophenol_herbicide|dinitrophenol_fungicide|pesticide|insecticide|herbicide


class_array:
drug_allergen|bactericide|antifungal_drug|organomercury_fungicide|antiseptic_drug|mercury_fungicide|drug|pesticide|fungicide


class_array:
organophosphorus_insecticide|aliphatic_organothiophosphate_insecticide|insecticide|pesticide|organothiophosphate_insecticide


class_array:
oxazole_fungicide|dichlorophenyl_dicarboximide_fungicide|dicarboximide_fungicide|fungicide|pesticide


class_array:
pesticide|anthelminthic_drug|carbamate_fungicide|drug|benzimidazolylcarbamate_fungicide|fungicide|benzimidazole_fungicide


class_array:
pesticide|insecticide|organophosphorus_insecticide|avicide|phenyl_organothiophosphate_insecticide|organothiophosphate_insecticide


class_array:
insecticide|fumigant_insecticide|fungicide|fumigant_herbicide|fumigant_fungicide|nematicide|pesticide|herbicide


class_array:
pyridine_organothiophosphate_insecticide|organothiophosphate_insecticide|insecticide|organophosphorus_insecticide|pesticide|heterocyclic_organothiophosphate_insecticide


class_array:
organothiophosphate_acaricide|pesticide|organophosphorus_acaricide|organophosphorus_insecticide|insecticide|phenyl_organothiophosphate_insecticide|organothiophosphate_insecticide|acaricide


class_array:
drug|organothiophosphate_acaricide|antinematodal_drug|organophosphorus_acaricide|organophosphorus_insecticide|pesticide|acaricide|insecticide|organothiophosphate_insecticide|heterocyclic_organothiophosphate_insecticide


class_array:
organothiophosphate_acaricide|organothiophosphate_insecticide|pesticide|organophosphorus_acaricide|aliphatic_organothiophosphate_insecticide|acaricide|insecticide|organophosphorus_insecticide


class_array:
herbicide|nematicide|fumigant_herbicide|pesticide|fumigant_fungicide|insecticide|fumigant_insecticide|fungicide


class_array:
benzoylphenylurea_chitin_synthesis_inhibitor|pesticide|insect_growth_regulator|chitin_synthesis_inhibitor|insecticide


class_array:
drug|unclassified_insecticide|antinematodal_drug|pesticide|insecticide|acaricide|unclassified_acaricide


class_array:
fungicide|pyrazolecarboxamide_fungicide|amide_fungicide|pyrazole_fungicide|anilide_fungicide|pesticide


class_array:
pesticide|insecticide|aliphatic_organothiophosphate_insecticide|organothiophosphate_insecticide|organophosphorus_insecticide


class_array:
pesticide|insecticide|organothiophosphate_insecticide|phenyl_organothiophosphate_insecticide|organophosphorus_insecticide|organophosphorus_acaricide|acaricide|organothiophosphate_acaricide


class_array:
pesticide|nematicide|insecticide|organophosphorus_insecticide|aliphatic_organothiophosphate_insecticide|aliphatic_amide_organothiophosphate_insecticide|acaricide|organothiophosphate_acaricide|organothiophosphate_insecticide|organophosphorus_acaricide


class_array:
anthelminthic_drug|organophosphorus_insecticide|drug|acaricide|organophosphate_insecticide|organophosphorus_acaricide|organophosphate_acaricide|pesticide|insecticide


class_array:
nematicide|fumigant_insecticide|pesticide|fumigant_fungicide|insecticide|unclassified_herbicide|herbicide|fungicide


class_array:
acaricide|organophosphorus_acaricide|organothiophosphate_insecticide|organothiophosphate_acaricide|organophosphorus_insecticide|insecticide|pesticide|aliphatic_organothiophosphate_insecticide


class_array:
acaricide|growth_inhibitor|carbamate_acaricide|carbamate_insecticide|pesticide|plant_growth_regulator|insecticide


class_array:
aliphatic_organothiophosphate_insecticide|organophosphorus_insecticide|organothiophosphate_acaricide|organothiophosphate_insecticide|pesticide|insecticide|acaricide|organophosphorus_acaricide


class_array:
insect_growth_regulator|chitin_synthesis_inhibitor|benzoylphenylurea_chitin_synthesis_inhibitor|insecticide|pesticide


class_array:
pesticide|plant_growth_regulator|fungicide|thiocarbamate_fungicide|unclassified_plant_growth_regulator


class_array:
carbamate_acaricide|insecticide|phenyl_methylcarbamate_insecticide|carbamate_insecticide|acaricide|pesticide


class_array:
amide_herbicide|chloroacetanilide_herbicide|pesticide|herbicide|anilide_herbicide|pyrazole_herbicide


class_array:
pesticide|acaricide|pyrethroid_insecticide|pyrethroid_acaricide|pyrethroid_ester_insecticide|insecticide|pyrethroid_ester_acaricide


class_array:
pesticide|insecticide|pyrethroid_acaricide|acaricide|pyrethroid_ester_acaricide|pyrethroid_insecticide|pyrethroid_ester_insecticide


class_array:
organothiophosphate_insecticide|aliphatic_organothiophosphate_insecticide|organophosphorus_insecticide|insecticide|pesticide


class_array:
amide_herbicide|unclassified_plant_growth_regulator|pesticide|anilide_herbicide|sulfonanilide_herbicide|plant_growth_regulator|herbicide


class_array:
organophosphorus_acaricide|pesticide|insecticide|organophosphorus_insecticide|organophosphate_insecticide|organophosphate_acaricide|acaricide


class_array:
pesticide|pyrethroid_ester_acaricide|insecticide|pyrethroid_acaricide|acaricide|pyrethroid_insecticide|pyrethroid_ester_insecticide


class_array:
drug|acaricide|antiseptic_drug|bridged_diphenyl_acaricide|pesticide|fungicide|bridged_diphenyl_fungicide|bactericide


class_array:
drug|avermectin_acaricide|antinematodal_drug|pesticide|antiprotozoal_drug|macrocyclic_lactone_acaricide|anthelminthic_drug|avermectin_insecticide|acaricide|insecticide|macrocyclic_lactone_insecticide


class_array:
insecticide|pesticide|insect_growth_regulator|chitin_synthesis_inhibitor|benzoylphenylurea_chitin_synthesis_inhibitor


class_array:
macrocyclic_lactone_acaricide|nematicide|insecticide|acaricide|macrocyclic_lactone_insecticide|pesticide|avermectin_acaricide|avermectin_insecticide


class_array:
acaricide|organothiophosphate_acaricide|insecticide|pesticide|heterocyclic_organothiophosphate_insecticide|phthalimide_acaricide|phthalimide_insecticide|organophosphorus_acaricide|organothiophosphate_insecticide|organophosphorus_insecticide|isoindole_organothiophosphate_insecticide


class_array:
insecticide|fungicide|pesticide|fumigant_insecticide|nematicide|halogenated_aliphatic_herbicide|fumigant_herbicide|fumigant_fungicide|herbicide


class_array:
fumigant_herbicide|nematicide|insecticide|herbicide|fungicide|fumigant_fungicide|fumigant_insecticide|halogenated_aliphatic_herbicide|pesticide


class_array:
organophosphorus_insecticide|organophosphate_acaricide|acaricide|pesticide|organophosphate_insecticide|organophosphorus_acaricide|insecticide


class_array:
insecticide|plant_growth_regulator|unclassified_plant_growth_regulator|pesticide|arsenical_insecticide


class_array:
acaricide|organophosphorus_acaricide|organophosphorus_insecticide|organophosphate_acaricide|pesticide|insecticide|organophosphate_insecticide


class_array:
pesticide|organothiophosphate_insecticide|organophosphorus_acaricide|heterocyclic_organothiophosphate_insecticide|organothiophosphate_acaricide|organophosphorus_insecticide|insecticide|acaricide


class_array:
organophosphorus_insecticide|organophosphorus_acaricide|pesticide|insecticide|acaricide|aliphatic_organothiophosphate_insecticide|organothiophosphate_insecticide|organothiophosphate_acaricide


class_array:
heterocyclic_organothiophosphate_insecticide|pesticide|insecticide|organothiophosphate_insecticide|organophosphorus_insecticide


class_array:
phenyl_organothiophosphate_insecticide|organophosphorus_acaricide|organothiophosphate_insecticide|pesticide|acaricide|organophosphorus_insecticide|organothiophosphate_acaricide|insecticide


class_array:
organothiophosphate_insecticide|pesticide|organophosphorus_insecticide|organothiophosphate_acaricide|organophosphorus_acaricide|aliphatic_organothiophosphate_insecticide|insecticide|acaricide


class_array:
organophosphorus_insecticide|pesticide|organothiophosphate_acaricide|organothiophosphate_insecticide|organophosphorus_acaricide|insecticide|acaricide|aliphatic_organothiophosphate_insecticide


class_array:
pesticide|dichlorophenyl_dicarboximide_fungicide|fungicide|pyrrole_fungicide|dicarboximide_fungicide


class_array:
acaricide|pyrethroid_acaricide|pyrethroid_ester_acaricide|pyrethroid_ester_insecticide|pyrethroid_insecticide|pesticide|insecticide


class_array:
benzoylphenylurea_chitin_synthesis_inhibitor|pesticide|chitin_synthesis_inhibitor|insecticide|insect_growth_regulator


class_array:
dichlorophenyl_dicarboximide_fungicide|oxazole_fungicide|fungicide|pesticide|dicarboximide_fungicide


class_array:
antibiotic_fungicide|methoxyacrylate_strobilurin_fungicide|fungicide|strobilurin_fungicide|pesticide


class_array:
acaricide|heterocyclic_organothiophosphate_insecticide|organophosphorus_insecticide|organophosphorus_acaricide|benzotriazine_organothiophosphate_insecticide|organothiophosphate_acaricide|pesticide|organothiophosphate_insecticide|insecticide


class_array:
methoxyacrylate_strobilurin_fungicide|antibiotic_fungicide|pesticide|fungicide|strobilurin_fungicide|pyrazole_fungicide|phenylpyrazole_fungicide


class_array:
insecticide|chitin_synthesis_inhibitor|pesticide|insect_growth_regulator|benzoylphenylurea_chitin_synthesis_inhibitor


class_array:
organophosphorus_insecticide|aliphatic_organothiophosphate_insecticide|acaricide|pesticide|organothiophosphate_acaricide|organophosphorus_acaricide|insecticide|organothiophosphate_insecticide


class_array:
pesticide|insecticide|pyrazole_insecticide|phenylpyrazole_insecticide|dimethylcarbamate_insecticide|carbamate_insecticide


class_array:
fungicide|organochlorine_insecticide|defoliant|plant_growth_regulator|molluscicide|unclassified_herbicide|pesticide|insecticide|aromatic_fungicide|herbicide


class_array:
fungicide|pesticide|anilide_fungicide|amide_fungicide|pyrazole_fungicide|pyrazolecarboxamide_fungicide


class_array:
insecticide|heterocyclic_organothiophosphate_insecticide|phenylpyrazole_organothiophosphate_insecticide|organothiophosphate_insecticide|organophosphorus_insecticide|pyrazole_insecticide|phenylpyrazole_insecticide|pesticide


class_array:
heterocyclic_organothiophosphate_insecticide|pesticide|pyrimidine_organothiophosphate_insecticide|organothiophosphate_insecticide|organophosphorus_insecticide|insecticide


class_array:
amide_fungicide|pesticide|fungicide|pyrazolecarboxamide_fungicide|pyrazole_fungicide|anilide_fungicide


class_array:
pesticide|aliphatic_amide_organothiophosphate_insecticide|aliphatic_organothiophosphate_insecticide|insecticide|organothiophosphate_acaricide|organophosphorus_insecticide|acaricide|organophosphorus_acaricide|organothiophosphate_insecticide


class_array:
organothiophosphate_insecticide|organophosphorus_insecticide|organothiophosphate_acaricide|aliphatic_organothiophosphate_insecticide|organophosphorus_acaricide|acaricide|pesticide|insecticide


class_array:
phosphonothioate_insecticide|phenyl_ethylphosphonothioate_insecticide|pesticide|insecticide|organophosphorus_insecticide


class_array:
pesticide|insecticide|organothiophosphate_insecticide|heterocyclic_organothiophosphate_insecticide|organophosphorus_insecticide|thiadiazole_organothiophosphate_insecticide


class_array:
pesticide|nematicide|insecticide|organothiophosphate_insecticide|organophosphorus_insecticide|aliphatic_organothiophosphate_insecticide


class_array:
organophosphorus_insecticide|pesticide|heterocyclic_organothiophosphate_insecticide|insecticide|pyrimidine_organothiophosphate_insecticide|organothiophosphate_insecticide


class_array:
nematicide|organothiophosphate_insecticide|insecticide|organophosphorus_insecticide|phenyl_organothiophosphate_insecticide|pesticide


class_array:
pesticide|herbicide|triazolopyrimidine_herbicide|anilide_herbicide|amide_herbicide|sulfonanilide_herbicide


class_array:
heterocyclic_organothiophosphate_insecticide|organophosphorus_insecticide|organothiophosphate_insecticide|phenylpyrazole_insecticide|phenylpyrazole_organothiophosphate_insecticide|pyrazole_insecticide|insecticide|pesticide


class_array:
quinoxaline_organothiophosphate_insecticide|heterocyclic_organothiophosphate_insecticide|organophosphorus_insecticide|organothiophosphate_insecticide|insecticide|pesticide


class_array:
phenylpyrazole_acaricide|pyrazole_acaricide|phenylpyrazole_insecticide|acaricide|insecticide|pesticide|pyrazole_insecticide


class_array:
aliphatic_organothiophosphate_insecticide|organophosphorus_insecticide|organothiophosphate_insecticide|oxime_organothiophosphate_insecticide|insecticide|pesticide


class_array:
pesticide|pyrethroid_ester_insecticide|acaricide|pyrethroid_ester_acaricide|insecticide|pyrethroid_acaricide|pyrethroid_insecticide


class_array:
amide_fungicide|anilide_fungicide|pyrazolecarboxamide_fungicide|pesticide|pyrazole_fungicide|fungicide


class_array:
phenyl_organothiophosphate_insecticide|pesticide|organothiophosphate_insecticide|organophosphorus_insecticide|insecticide


class_array:
macrocyclic_lactone_insecticide|macrocyclic_lactone_acaricide|pesticide|insecticide|milbemycin_acaricide|milbemycin_insecticide|acaricide


class_array:
organophosphorus_insecticide|organophosphorus_acaricide|acaricide|insecticide|heterocyclic_organothiophosphate_insecticide|pesticide|organothiophosphate_acaricide|thiadiazole_organothiophosphate_insecticide|organothiophosphate_insecticide


class_array:
insecticide|organothiophosphate_insecticide|aliphatic_organothiophosphate_insecticide|organophosphorus_insecticide|pesticide


class_array:
pesticide|acaricide|phenylpyrazole_insecticide|pyrazole_insecticide|insecticide|nematicide|phenylpyrazole_acaricide|pyrazole_acaricide


class_array:
insecticide|heterocyclic_organothiophosphate_insecticide|organothiophosphate_insecticide|organophosphorus_insecticide|pesticide


class_array:
herbicide|plant_growth_regulator|pesticide|unclassified_plant_growth_regulator|pyridazinone_herbicide


class_array:
fungicide|strobilurin_fungicide|methoxyacrylate_strobilurin_fungicide|pesticide|antibiotic_fungicide


class_array:
aliphatic_organothiophosphate_insecticide|organophosphorus_insecticide|organothiophosphate_insecticide|pesticide|insecticide


class_array:
insecticide|carbamate_insecticide|carbamate_acaricide|phenyl_methylcarbamate_insecticide|acaricide|pesticide


class_array:
antibiotic_fungicide|methoxyiminoacetamide_strobilurin_fungicide|amide_fungicide|fungicide|pesticide|strobilurin_fungicide


class_array:
organophosphorus_insecticide|pesticide|aliphatic_organothiophosphate_insecticide|insecticide|organophosphorus_acaricide|organothiophosphate_insecticide|acaricide|aliphatic_amide_organothiophosphate_insecticide|organothiophosphate_acaricide


class_array:
pesticide|heterocyclic_organothiophosphate_insecticide|insecticide|pyrimidine_organothiophosphate_insecticide|organophosphorus_insecticide|organothiophosphate_insecticide


class_array:
organothiophosphate_acaricide|organophosphorus_acaricide|acaricide|organothiophosphate_insecticide|phenyl_organothiophosphate_insecticide|organophosphorus_insecticide|pesticide|insecticide


class_array:
pesticide|phenyl_organothiophosphate_insecticide|insecticide|organothiophosphate_insecticide|organophosphorus_insecticide


class_array:
pesticide|carbamate_insecticide|thiazolidine_insecticide|insecticide|oxime_carbamate_insecticide|molluscicide


class_array:
nematicide|pesticide|phenyl_organothiophosphate_insecticide|organophosphorus_insecticide|insecticide|organothiophosphate_insecticide


class_array:
organothiophosphate_insecticide|organophosphorus_insecticide|pesticide|benzothiopyran_organothiophosphate_insecticide|insecticide|heterocyclic_organothiophosphate_insecticide


class_array:
insecticide|heterocyclic_organothiophosphate_insecticide|organothiophosphate_insecticide|organophosphorus_insecticide|benzothiopyran_organothiophosphate_insecticide|pesticide


class_array:
heterocyclic_organothiophosphate_insecticide|pesticide|organophosphorus_insecticide|insecticide|pyrimidine_organothiophosphate_insecticide|organothiophosphate_insecticide


class_array:
heterocyclic_organothiophosphate_insecticide|pesticide|organothiophosphate_insecticide|insecticide|organophosphorus_insecticide


class_array:
pesticide|organothiophosphate_insecticide|organophosphorus_insecticide|insecticide|phenyl_organothiophosphate_insecticide


class_array:
insecticide|organothiophosphate_insecticide|heterocyclic_organothiophosphate_insecticide|organophosphorus_insecticide|pesticide|isoxazole_organothiophosphate_insecticide


class_array:
fungicide|imidazole_fungicide|dichlorophenyl_dicarboximide_fungicide|pesticide|dicarboximide_fungicide


class_array:
benzothiazole_herbicide|aryloxyphenoxypropionic_herbicide|pesticide|herbicide|phenoxypropionic_herbicide|phenoxy_herbicide


class_array:
phenoxy_herbicide|nitrophenyl_ether_herbicide|amide_herbicide|pesticide|diphenyl_ether_herbicide|herbicide


class_array:
phenyl_organothiophosphate_insecticide|pesticide|acaricide|organophosphorus_acaricide|insecticide|organophosphorus_insecticide|organothiophosphate_insecticide|organothiophosphate_acaricide


class_array:
strobilurin_fungicide|carbamate_fungicide|antibiotic_fungicide|fungicide|pyridine_fungicide|pesticide


class_array:
pesticide|methoxyacrylate_strobilurin_fungicide|antibiotic_fungicide|fungicide|strobilurin_fungicide


class_array:
pesticide|sulfonylurea_herbicide|pyrazole_herbicide|herbicide|pyrimidinylsulfonylurea_herbicide|urea_herbicide


class_array:
antibiotic_fungicide|strobilurin_fungicide|fungicide|pyridine_fungicide|carbamate_fungicide|pesticide|methoxycarbanilate_strobilurin_fungicide|carbanilate_fungicide


class_array:
pyrethroid_ester_acaricide|pesticide|insecticide|acaricide|pyrethroid_acaricide|pyrethroid_insecticide|pyrethroid_ester_insecticide


class_array:
carbamate_fungicide|pesticide|antibiotic_fungicide|fungicide|phenylpyrazole_fungicide|pyrazole_fungicide|strobilurin_fungicide|methoxycarbanilate_strobilurin_fungicide|carbanilate_fungicide


class_array:
methoxyacrylate_strobilurin_acaricide|acaricide|fungicide|pesticide|strobilurin_fungicide|strobilurin_acaricide|antibiotic_fungicide|methoxyacrylate_strobilurin_fungicide


class_array:
pesticide|organophosphorus_insecticide|organothiophosphate_insecticide|insecticide|aliphatic_organothiophosphate_insecticide


class_array:
acaricide|methoxyacrylate_strobilurin_acaricide|strobilurin_fungicide|methoxyacrylate_strobilurin_fungicide|fungicide|antibiotic_fungicide|strobilurin_acaricide|pesticide


class_array:
pyrazole_herbicide|herbicide|pyrimidinylsulfonylurea_herbicide|urea_herbicide|sulfonylurea_herbicide|pesticide


