# cl_id

name: Dimethylbis(nonanoyloxy)stannane
cas: 85702-86-9
formula: C20H40O4Sn
inchikey: DPSIFYQDSWBZKZ-UHFFFAOYSA-L
norman_susdat_id: NS00064689
pubchem_cid: 16684530
smiles: O=C(O[Sn](OC(=O)CCCCCCCC)(C)C)CCCCCCCC
inchi:
InChI=1/2C9H18O2.2CH3.Sn/c2*1-2-3-4-5-6-7-8-9(10)11;;;/h2*2-8H2,1H3,(H,10,11);2*1H3;/q;;;;+2/p-2/rC20H40O4Sn/c1-5-7-9-11-13-15-17-19(21)23-25(3,4)24-20(22)18-16-14-12-10-8-6-2/h5-18H2,1-4H3


name: Dioctylbis(3,5,5-trimethylhexanoyloxy)stannane
cas: 85702-87-0
formula: C34H68O4Sn
inchikey: MSGARTJEYPEKJX-UHFFFAOYSA-L
norman_susdat_id: NS00064705
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)CC(C)CC(C)(C)C)(CCCCCCCC)CCCCCCCC)CC(C)CC(C)(C)C
inchi:
InChI=1/2C9H18O2.2C8H17.Sn/c2*1-7(5-8(10)11)6-9(2,3)4;2*1-3-5-7-8-6-4-2;/h2*7H,5-6H2,1-4H3,(H,10,11);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC34H68O4Sn/c1-11-13-15-17-19-21-23-39(24-22-20-18-16-14-12-2,37-31(35)25-29(3)27-33(5,6)7)38-32(36)26-30(4)28-34(8,9)10/h29-30H,11-28H2,1-10H3


name: Bis[(2-hexyl-1-oxodecyl)oxy]dioctylstannane
cas: 85702-88-1
formula: C48H96O4Sn
inchikey: KUJLHDKUJMUNHK-UHFFFAOYSA-L
norman_susdat_id: NS00064592
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)C(CCCCCC)CCCCCCCC)(CCCCCCCC)CCCCCCCC)C(CCCCCC)CCCCCCCC
inchi:
InChI=1/2C16H32O2.2C8H17.Sn/c2*1-3-5-7-9-10-12-14-15(16(17)18)13-11-8-6-4-2;2*1-3-5-7-8-6-4-2;/h2*15H,3-14H2,1-2H3,(H,17,18);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC48H96O4Sn/c1-7-13-19-25-29-35-41-45(39-33-23-17-11-5)47(49)51-53(43-37-31-27-21-15-9-3,44-38-32-28-22-16-10-4)52-48(50)46(40-34-24-18-12-6)42-36-30-26-20-14-8-2/h45-46H,7-44H2,1-6H3


name: WP 1066
cas: 857064-38-1
dtxsid: DTXSID50235007
formula: C17H14BrN3O
inchikey: VFUAJMPDXIRPKO-LQELWAHVSA-N
norman_susdat_id: NS00071033
pubchem_cid: 11210478
smiles: C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1
inchi:
InChI=1S/C17H14BrN3O/c1-12(13-6-3-2-4-7-13)20-17(22)14(11-19)10-15-8-5-9-16(18)21-15/h2-10,12H,1H3,(H,20,22)/b14-10+/t12-/m0/s1


name: Oleic acid, compound with methyl-1H-benzotriazole (1:1)
cas: 85711-84-8
formula: C18H34O2.C7H7N3
inchikey: AWGDSNYDTODFJG-KVVVOXFISA-N
norman_susdat_id: NS00092463
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.Cn1nnc2ccccc12
inchi:
InChI=1/C18H34O2.C7H7N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-10-7-5-3-2-4-6(7)8-9-10/h9-10H,2-8,11-17H2,1H3,(H,19,20);2-5H,1H3


cas: 85711-92-8
dtxsid: DTXSID40235011
formula: C32H39N4O4
inchikey: FPNGGKRHUJSQOA-UHFFFAOYSA-N
norman_susdat_id: NS00064528
pubchem_cid: 56842777
smiles: [Cl-].Cl.O=C(OCC)NC=1C=CC=2C=3C=CC(=CC3[N+](=C(C=4C=CC=CC4)C2C1)CCCN(CC)CC)NC(=O)OCC
name:
5-[3-(diethylamino)propyl]-3,8-bis[(ethoxycarbonyl)amino]-6-phenylphenanthridinium chloride monohydrochloride

inchi:
InChI=1/C32H38N4O4.2ClH/c1-5-35(6-2)19-12-20-36-29-22-25(34-32(38)40-8-4)16-18-27(29)26-17-15-24(33-31(37)39-7-3)21-28(26)30(36)23-13-10-9-11-14-23;;/h9-11,13-18,21-22H,5-8,12,19-20H2,1-4H3,(H,33,37);2*1H


name: (S)-1-(4-Bromobenzoyl)-N,N-dimethyl-5-oxopyrrolidine-2-carboxamide
cas: 85711-93-9
chemspiderid: 2287681
dtxsid: DTXSID00235012
formula: C14H15Br1N2O3
inchikey: QYLBEZABIATHBC-NSHDSACASA-N
norman_susdat_id: NS00039048
pubchem_cid: 21149657
smiles: CN(C)C(=O)C1CCC(=O)N1C(=O)c1ccc(Br)cc1
inchi:
InChI=1S/C14H15BrN2O3/c1-16(2)14(20)11-7-8-12(18)17(11)13(19)9-3-5-10(15)6-4-9/h3-6,11H,7-8H2,1-2H3/t11-/m0/s1


name: Nitrilotripropylene tristearate
cas: 85711-99-5
formula: C63H123NO6
inchikey: IJTIFPKIWYJFNP-ZPEILHQESA-N
norman_susdat_id: NS00092253
smiles: CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.C\C=C\N(\C=C\C)\C=C\C
inchi:
InChI=1/3C18H36O2.C9H15N/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-7-10(8-5-2)9-6-3/h3*2-17H2,1H3,(H,19,20);4-9H,1-3H3


name: Bis(2-hydroxypropyl)methyl(octadecyl)ammonium methyl sulphate
cas: 85712-01-2
dtxsid: DTXSID901006307
formula: C25H53NO2
inchikey: BGRQFYCZFVMCKU-UHFFFAOYSA-N
norman_susdat_id: NS00065034
pubchem_cid: 3020911
smiles: O=S(=O)([O-])OC.OC(C)CC(CC(O)C)[NH2+]CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C25H53NO2.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-25(21-23(2)27)22-24(3)28;1-5-6(2,3)4/h23-28H,4-22H2,1-3H3;1H3,(H,2,3,4)


name: 1,1-Bis(butoxymethyl)-3-octadecylurea
cas: 85712-02-3
chemspiderid: 2287684
dtxsid: DTXSID60235013
formula: C29H60N2O3
inchikey: PPYKUFYYEBSDQG-UHFFFAOYSA-N
norman_susdat_id: NS00039049
pubchem_cid: 3020913
smiles: CCCCCCCCCCCCCCCCCCNC(=O)N(COCCCC)COCCCC
inchi:
InChI=1S/C29H60N2O3/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30-29(32)31(27-33-25-8-5-2)28-34-26-9-6-3/h4-28H2,1-3H3,(H,30,32)


name: 2-hydroxy-3-(octadecyloxy)propyl acetate
cas: 85712-13-6
dtxsid: DTXSID001006312
formula: C23H46O4
inchikey: WEZCLBNXPTWPDH-UHFFFAOYSA-N
norman_susdat_id: NS00064532
pubchem_cid: 13963222
smiles: O=C(OCC(O)COCCCCCCCCCCCCCCCCCC)C
inchi:
InChI=1/C23H46O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26-20-23(25)21-27-22(2)24/h23,25H,3-21H2,1-2H3


name: N-(2-aminoethyl)-9-octadecenamide
cas: 85712-16-9
formula: C20H40N2O
inchikey: NEAVWSTWAPWAPP-UHFFFAOYSA-N
norman_susdat_id: NS00064631
pubchem_cid: 3020923
smiles: O=C(NCCN)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C20H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)22-19-18-21/h9-10H,2-8,11-19,21H2,1H3,(H,22,23)


name: 5-(Bromomethyl)-1,3,4-triphenyl-1H-pyrazole
cas: 85720-74-7
chemspiderid: 2287693
dtxsid: DTXSID30235025
formula: C22H17Br1N2
inchikey: NWRQVEZZBZNXIK-UHFFFAOYSA-N
norman_susdat_id: NS00039051
pubchem_cid: 3020924
smiles: BrCc1c(c(nn1c1ccccc1)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C22H17BrN2/c23-16-20-21(17-10-4-1-5-11-17)22(18-12-6-2-7-13-18)24-25(20)19-14-8-3-9-15-19/h1-15H,16H2


name: 1-((4-Phenoxyphenyl)amino)anthraquinone
cas: 85720-76-9
chemspiderid: 15359800
dtxsid: DTXSID90235026
formula: C26H17N1O3
inchikey: KREWZPJDFAJBLV-UHFFFAOYSA-N
norman_susdat_id: NS00039052
pubchem_cid: 16205632
smiles: O=C1c2cccc(Nc3ccc(Oc4ccccc4)cc3)c2C(=O)c2c1cccc2
inchi:
InChI=1S/C26H17NO3/c28-25-20-9-4-5-10-21(20)26(29)24-22(25)11-6-12-23(24)27-17-13-15-19(16-14-17)30-18-7-2-1-3-8-18/h1-16,27H


name: 1-((4-(Decyloxy)phenyl)amino)anthraquinone
cas: 85720-77-0
chemspiderid: 17333827
dtxsid: DTXSID50235027
formula: C30H33N1O3
inchikey: RLTLYWLNLOBLMQ-UHFFFAOYSA-N
norman_susdat_id: NS00039053
pubchem_cid: 16205633
smiles: CCCCCCCCCCOc1ccc(Nc2cccc3c2C(=O)c2ccccc2C3=O)cc1
inchi:
InChI=1S/C30H33NO3/c1-2-3-4-5-6-7-8-11-21-34-23-19-17-22(18-20-23)31-27-16-12-15-26-28(27)30(33)25-14-10-9-13-24(25)29(26)32/h9-10,12-20,31H,2-8,11,21H2,1H3


name: 2-(4-tert-butyl-2-cyclopentylphenoxy)-1-methylethyl chloroformate
cas: 85720-84-9
dtxsid: DTXSID901006319
formula: C19H27ClO3
inchikey: SDTYWAICBVIOKU-UHFFFAOYSA-N
norman_susdat_id: NS00065061
pubchem_cid: 5743968
smiles: O=C(Cl)OC(C)COC1=CC=C(C=C1C2CCCC2)C(C)(C)C
inchi:
InChI=1/C19H27ClO3/c1-13(23-18(20)21)12-22-17-10-9-15(19(2,3)4)11-16(17)14-7-5-6-8-14/h9-11,13-14H,5-8,12H2,1-4H3


name: Phenyl 5,6,7,8-tetrahydro-1-hydroxy-2-naphthoate
cas: 85720-85-0
chemspiderid: 17333828
dtxsid: DTXSID10235028
formula: C17H16O3
inchikey: ILYUJAPQYVAEIX-UHFFFAOYSA-N
norman_susdat_id: NS00039054
pubchem_cid: 16205634
smiles: Oc1c(ccc2c1CCCC2)C(=O)Oc1ccccc1
inchi:
InChI=1S/C17H16O3/c18-16-14-9-5-4-6-12(14)10-11-15(16)17(19)20-13-7-2-1-3-8-13/h1-3,7-8,10-11,18H,4-6,9H2


name: 5-[(4-amino-5-methoxy-2-tolyl)azo]salicylic acid
cas: 85720-86-1
formula: C15H15N3O4
inchikey: GYFIHCVUPLPXFH-UHFFFAOYSA-N
norman_susdat_id: NS00065823
pubchem_cid: 135832100
smiles: O=C(O)C1=CC(N=NC=2C=C(OC)C(N)=CC2C)=CC=C1O
inchi:
InChI=1/C15H15N3O4/c1-8-5-11(16)14(22-2)7-12(8)18-17-9-3-4-13(19)10(6-9)15(20)21/h3-7,19H,16H2,1-2H3,(H,20,21)


name: 5-[(4-amino-2-chlorophenyl)azo]salicylic acid
cas: 85720-88-3
formula: C13H10ClN3O3
inchikey: GMBLZWHNZWDEEJ-UHFFFAOYSA-N
norman_susdat_id: NS00065824
pubchem_cid: 3020931
smiles: O=C(O)C1=CC(N=NC2=CC=C(N)C=C2Cl)=CC=C1O
inchi:
InChI=1/C13H10ClN3O3/c14-10-5-7(15)1-3-11(10)17-16-8-2-4-12(18)9(6-8)13(19)20/h1-6,18H,15H2,(H,19,20)


name: Sodium 5-[(4-amino-2-chlorophenyl)azo]salicylate
cas: 85720-89-4
formula: C13H10ClN3O3.xNa
inchikey: WTENAFRMFGQORZ-UHFFFAOYSA-M
norman_susdat_id: NS00092922
smiles: [Na+].Clc2cc(N)ccc2N=Nc1cc(C([O-])=O)c(O)cc1
inchi:
InChI=1/C13H10ClN3O3.Na/c14-10-5-7(15)1-3-11(10)17-16-8-2-4-12(18)9(6-8)13(19)20;/h1-6,18H,15H2,(H,19,20);/q;+1/p-1


name: 5-[(4-amino-5-methoxy-2-tolyl)azo]-3-sulphosalicylic acid
cas: 85720-90-7
formula: C15H15N3O7S
inchikey: ZDLFHKYUFGJLLU-UHFFFAOYSA-N
norman_susdat_id: NS00064633
pubchem_cid: 135832101
smiles: O=C(O)C1=CC(N=NC=2C=C(OC)C(N)=CC2C)=CC(=C1O)S(=O)(=O)O
inchi:
InChI=1/C15H15N3O7S/c1-7-3-10(16)12(25-2)6-11(7)18-17-8-4-9(15(20)21)14(19)13(5-8)26(22,23)24/h3-6,19H,16H2,1-2H3,(H,20,21)(H,22,23,24)


name: 5-amino-2-[(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo]benzoic acid
cas: 85720-92-9
dtxsid: DTXSID601006322
formula: C11H11N5O3
inchikey: WQRZBPGAKFJRGU-UHFFFAOYSA-N
norman_susdat_id: NS00065062
pubchem_cid: 3020934
smiles: O=C(O)C1=CC(N)=CC=C1N=NC2C(=O)NN=C2C
inchi:
InChI=1/C11H11N5O3/c1-5-9(10(17)16-13-5)15-14-8-3-2-6(12)4-7(8)11(18)19/h2-4,9H,12H2,1H3,(H,16,17)(H,18,19)


name: Sodium 5-amino-2-[(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl)azo]benzoate
cas: 85720-93-0
formula: C11H11N5O3.xNa
inchikey: GMCWDMFKNUXJBP-UHFFFAOYSA-M
norman_susdat_id: NS00092923
smiles: [Na+].O=C2N\N=C(\C)C2N=Nc1ccc(N)cc1C([O-])=O
inchi:
InChI=1/C11H11N5O3.Na/c1-5-9(10(17)16-13-5)15-14-8-3-2-6(12)4-7(8)11(18)19;/h2-4,9H,12H2,1H3,(H,16,17)(H,18,19);/q;+1/p-1


cas: 85720-94-1
formula: C32H24N8O10S2
inchikey: MHYHRDHKLQCNPM-UHFFFAOYSA-N
norman_susdat_id: NS00065063
pubchem_cid: NA
name:
5-[[4-[[4-[(8-hydroxy-3,6-disulpho-1-naphthyl)amino]-6-(phenylamino)-1,3,5-triazin-2-yl]amino]phenyl]azo]salicylic acid

inchi:
InChI=1/C32H24N8O10S2/c41-26-11-10-21(14-24(26)29(43)44)40-39-20-8-6-19(7-9-20)34-31-36-30(33-18-4-2-1-3-5-18)37-32(38-31)35-25-15-22(51(45,46)47)12-17-13-23(52(48,49)50)16-27(42)28(17)25/h1-16,41-42H,(H,43,44)(H,45,46,47)(H,48,49,50)(H3,33,34,35,36,37,38)

smiles:
O=C(O)C1=CC(N=NC2=CC=C(C=C2)NC3=NC(=NC(=N3)NC=4C=C(C=C5C=C(C=C(O)C54)S(=O)(=O)O)S(=O)(=O)O)NC=6C=CC=CC6)=CC=C1O


name: Naphth[2,1-d]-1,2,3-oxadiazole-5,9-disulphonic acid
cas: 85720-96-3
dtxsid: DTXSID80235030
formula: C10H6N2O7S2
inchikey: LECKNZAHKTZQKV-UHFFFAOYSA-N
norman_susdat_id: NS00064553
pubchem_cid: 56842895
smiles: O=S(=O)(O)C=1C=CC=C2C1C=3ON=NC3C=C2S(=O)(=O)O
inchi:
InChI=1/C10H6N2O7S2/c13-20(14,15)7-3-1-2-5-8(21(16,17)18)4-6-10(9(5)7)19-12-11-6/h1-4H,(H,13,14,15)(H,16,17,18)


name: 5-[[4-(phenylazo)phenyl]azo]salicylaldehyde
cas: 85720-97-4
formula: C19H14N4O2
inchikey: FZGQMLKOUBTYCX-UHFFFAOYSA-N
norman_susdat_id: NS00064657
pubchem_cid: 3020935
smiles: O=CC1=CC(N=NC2=CC=C(N=NC=3C=CC=CC3)C=C2)=CC=C1O
inchi:
InChI=1/C19H14N4O2/c24-13-14-12-18(10-11-19(14)25)23-22-17-8-6-16(7-9-17)21-20-15-4-2-1-3-5-15/h1-13,25H


name: 6-(methylamino)naphthalene-1,3-disulphonic acid
cas: 85720-98-5
dtxsid: DTXSID301006323
formula: C11H11NO6S2
inchikey: ZKOUEUSBTLIJBN-UHFFFAOYSA-N
norman_susdat_id: NS00064658
pubchem_cid: 3020936
smiles: O=S(=O)(O)C=1C=C2C=C(C=CC2=C(C1)S(=O)(=O)O)NC
inchi:
InChI=1/C11H11NO6S2/c1-12-8-2-3-10-7(4-8)5-9(19(13,14)15)6-11(10)20(16,17)18/h2-6,12H,1H3,(H,13,14,15)(H,16,17,18)


name: 3-(3,4-dichlorophenyl)-2,3-dihydro-N-methyl-1H-inden-1-amine hydrochloride
cas: 85721-00-2
dtxsid: DTXSID701006325
formula: C16H15Cl2N
inchikey: QICQDZXGZOVTEF-UHFFFAOYSA-N
norman_susdat_id: NS00065849
pubchem_cid: 3703
smiles: Cl.ClC1=CC=C(C=C1Cl)C2C=3C=CC=CC3C(NC)C2
inchi:
InChI=1/C16H15Cl2N.ClH/c1-19-16-9-13(11-4-2-3-5-12(11)16)10-6-7-14(17)15(18)8-10;/h2-8,13,16,19H,9H2,1H3;1H


name: 6-fluoro-2-trifluoromethyl-9-hydroxythioxanthene-9-propan-1-ol
cas: 85721-03-5
dtxsid: DTXSID101006327
formula: C17H14F4O2S
inchikey: AOUPCZJNJJIMFN-UHFFFAOYSA-N
norman_susdat_id: NS00065080
pubchem_cid: 11970995
smiles: FC1=CC=C2C(SC3=CC=C(C=C3C2(O)CCCO)C(F)(F)F)=C1
inchi:
InChI=1/C17H14F4O2S/c18-11-3-4-12-15(9-11)24-14-5-2-10(17(19,20)21)8-13(14)16(12,23)6-1-7-22/h2-5,8-9,22-23H,1,6-7H2


name: 6-fluoro-2-trifluoromethyl-9-(3-iodopropyl)-9H-thioxanthene
cas: 85721-04-6
dtxsid: DTXSID801006328
formula: C17H13F4IS
inchikey: FXKLTDSAOBKIMJ-UHFFFAOYSA-N
norman_susdat_id: NS00064573
pubchem_cid: 3020942
smiles: FC1=CC=C2C(SC3=CC=C(C=C3C2CCCI)C(F)(F)F)=C1
inchi:
InChI=1/C17H13F4IS/c18-11-4-5-13-12(2-1-7-22)14-8-10(17(19,20)21)3-6-15(14)23-16(13)9-11/h3-6,8-9,12H,1-2,7H2


name: Zuclopenthixol acetate
cas: 85721-05-7
chebiid: CHEBI:135722
chemspiderid: 83430
dtxsid: DTXSID00235032
formula: C24H27Cl1N2O2S1
inchikey: OXAUOBQMCDIVPQ-IOXNKQMXSA-N
norman_susdat_id: NS00039055
pubchem_cid: 6436640
smiles: CC(=O)OCCN1CCN(CC/C=C2/c3c(Sc4c2cc(Cl)cc4)cccc3)CC1
inchi:
InChI=1S/C24H27ClN2O2S/c1-18(28)29-16-15-27-13-11-26(12-14-27)10-4-6-20-21-5-2-3-7-23(21)30-24-9-8-19(25)17-22(20)24/h2-3,5-9,17H,4,10-16H2,1H3/b20-6-


name: (Z)-2-[4-[3-[2-(trifluoromethyl)-9H-thioxanthen-9-ylidene]propyl]-1-piperazinyl]ethyl oleate
cas: 85721-06-8
formula: C41H57F3N2O2S
inchikey: BUTJICYIIWGDPL-DNRMARSOSA-N
norman_susdat_id: NS00065852
pubchem_cid: 20837977
smiles: O=C(OCCN1CCN(CCC=C2C=3C=CC=CC3SC4=CC=C(C=C42)C(F)(F)F)CC1)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C41H57F3N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-40(47)48-32-31-46-29-27-45(28-30-46)26-19-21-35-36-20-17-18-22-38(36)49-39-25-24-34(33-37(35)39)41(42,43)44/h9-10,17-18,20-22,24-25,33H,2-8,11-16,19,23,26-32H2,1H3


cas: 85721-07-9
formula: C6H9Bi4IO15S2
inchikey: USTLSERDHWJEMG-UHFFFAOYSA-B
norman_susdat_id: NS00092268
smiles: O[Bi](O)Oc1ccc(c(O[Bi](O)I)c1S(=O)(=O)O[Bi](O)O)S(=O)(=O)O[Bi](O)O
name:
[[4-[(dihydroxybismuthino)oxy]-2-[(hydroxyiodobismuthino)oxy]-1,3-phenylene]bis(sulphonyloxy)]bis[dihydroxybismuthine]

inchi:
InChI=1/C6H6O8S2.4Bi.HI.7H2O/c7-3-1-2-4(15(9,10)11)5(8)6(3)16(12,13)14;;;;;;;;;;;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;;;;1H;7*1H2/q;4*+3;;;;;;;;/p-12/rC6H9Bi4IO15S2/c11-7(12)24-5-4(27(19,20)25-9(15)16)2-1-3(23-8(13)14)6(5)28(21,22)26-10(17)18/h1-2,12-18H


name: Sodium 3-[[5-[(diethylamino)sulphonyl]-2-methoxyphenyl]azo]-4-hydroxynaphthalene-1-sulphonate
cas: 85721-12-6
formula: C21H23N3O7S2
inchikey: FTJTTXCWVYOVRK-UHFFFAOYSA-M
norman_susdat_id: NS00065870
pubchem_cid: 3020948
smiles: [Na+].O=S(=O)([O-])C1=CC(N=NC2=CC(=CC=C2OC)S(=O)(=O)N(CC)CC)=C(O)C=3C=CC=CC31
inchi:
InChI=1/C21H23N3O7S2.Na/c1-4-24(5-2)32(26,27)14-10-11-19(31-3)17(12-14)22-23-18-13-20(33(28,29)30)15-8-6-7-9-16(15)21(18)25;/h6-13,25H,4-5H2,1-3H3,(H,28,29,30);/q;+1/p-1


cas: 85721-13-7
dtxsid: DTXSID10890419
formula: C33H25N7O12S3
inchikey: SNPQCBOTHNEHBK-UHFFFAOYSA-K
norman_susdat_id: NS00065083
pubchem_cid: NA
name:
Trisodium 5-amino-3-[[4-[[4-[(2-amino-8-hydroxy-6-sulphonato-1-naphthyl)azo]benzoyl]amino]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate

inchi:
InChI=1/C33H25N7O12S3.3Na/c34-24-10-3-17-11-23(54(47,48)49)15-26(41)29(17)30(24)39-37-20-4-1-16(2-5-20)33(43)36-19-6-8-21(9-7-19)38-40-31-27(55(50,51)52)13-18-12-22(53(44,45)46)14-25(35)28(18)32(31)42;;;/h1-15,41-42H,34-35H2,(H,36,43)(H,44,45,46)(H,47,48,49)(H,50,51,52);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC=2C(O)=C3C(N)=CC(=CC3=CC2S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1)C4=CC=C(N=NC5=C(N)C=CC6=CC(=CC(O)=C65)S(=O)(=O)[O-])C=C4


cas: 85721-14-8
formula: C37H29N9O14S3
inchikey: UIZJFJWXQBPDDY-UHFFFAOYSA-N
norman_susdat_id: NS00092482
name:
N-[4-[[4-[[4-[[1-amino-8-hydroxy-3,6-disulpho-7-[(4-sulphophenyl)azo]-2-naphthyl]azo]benzoyl]amino]phenyl]azo]-3-hydroxyphenyl]glycine

inchi:
InChI=1/C37H29N9O14S3/c38-33-32-20(16-30(63(58,59)60)35(36(32)50)46-43-24-9-12-26(13-10-24)61(52,53)54)15-29(62(55,56)57)34(33)45-42-22-3-1-19(2-4-22)37(51)40-21-5-7-23(8-6-21)41-44-27-14-11-25(17-28(27)47)39-18-31(48)49/h1-17,39,47,50H,18,38H2,(H,40,51)(H,48,49)(H,52,53,54)(H,55,56,57)(H,58,59,60)

smiles:
Oc6cc(ccc6N=Nc5ccc(NC(=O)c4ccc(N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S(O)(=O)=O)c(O)c2c3N)S(O)(=O)=O)S(O)(=O)=O)cc4)cc5)NCC(O)=O


cas: 85721-15-9
formula: C23H19Cl2N5O6S2
inchikey: DTMSJUWGFSLCCW-UHFFFAOYSA-N
norman_susdat_id: NS00064574
pubchem_cid: 3020950
smiles: O=C1N(N=C(C)C1N=NC2=CC(=CC=C2C)S(=O)(=O)NC=3C=CC=CC3)C4=CC(Cl)=C(C=C4Cl)S(=O)(=O)O
name:
4-[4-[[5-(anilinosulphonyl)-o-tolyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-2,5-dichlorobenzenesulphonic acid

inchi:
InChI=1/C23H19Cl2N5O6S2/c1-13-8-9-16(37(32,33)29-15-6-4-3-5-7-15)10-19(13)26-27-22-14(2)28-30(23(22)31)20-11-18(25)21(12-17(20)24)38(34,35)36/h3-12,22,29H,1-2H3,(H,34,35,36)


cas: 85721-17-1
formula: C34H28N6O16S4.2Ba
inchikey: ZXZUTQJLJJVANU-UHFFFAOYSA-J
norman_susdat_id: NS00092483
name:
Dibarium 6,6'-[(3,3'-dimethoxy[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4-amino-5-hydroxynaphthalene-1,3-disulphonate]

inchi:
InChI=1/C34H28N6O16S4.2Ba/c1-55-23-11-15(3-7-19(23)37-39-21-9-5-17-25(57(43,44)45)13-27(59(49,50)51)31(35)29(17)33(21)41)16-4-8-20(24(12-16)56-2)38-40-22-10-6-18-26(58(46,47)48)14-28(60(52,53)54)32(36)30(18)34(22)42;;/h3-14,41-42H,35-36H2,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;/q;2*+2/p-4

smiles:
[Ba+2].[Ba+2].COc3cc(ccc3N=Nc2ccc1c(cc(c(N)c1c2O)S([O-])(=O)=O)S([O-])(=O)=O)c6ccc(N=Nc5ccc4c(cc(c(N)c4c5O)S([O-])(=O)=O)S([O-])(=O)=O)c(OC)c6


name: 1,2,3,4-tetrahydro-1-methyl-4-nonylnaphthalene
cas: 85721-21-7
dtxsid: DTXSID601006334
formula: C20H32
inchikey: MJRWNISWNMCQDF-UHFFFAOYSA-N
norman_susdat_id: NS00065871
pubchem_cid: 3020954
smiles: C=1C=CC2=C(C1)C(C)CCC2CCCCCCCCC
inchi:
InChI=1/C20H32/c1-3-4-5-6-7-8-9-12-18-16-15-17(2)19-13-10-11-14-20(18)19/h10-11,13-14,17-18H,3-9,12,15-16H2,1-2H3


name: 1-decyl-1,2,3,4-tetrahydro-4-methylnaphthalene
cas: 85721-22-8
dtxsid: DTXSID301006335
formula: C21H34
inchikey: FJHJRKITLLIESI-UHFFFAOYSA-N
norman_susdat_id: NS00065872
pubchem_cid: 3020955
smiles: C=1C=CC2=C(C1)C(C)CCC2CCCCCCCCCC
inchi:
InChI=1/C21H34/c1-3-4-5-6-7-8-9-10-13-19-17-16-18(2)20-14-11-12-15-21(19)20/h11-12,14-15,18-19H,3-10,13,16-17H2,1-2H3


name: Calcium bis[4-(p-chlorophenyl)-2-phenylthiazol-5-acetate]
cas: 85721-24-0
formula: C17H12ClNO2S.1/2Ca
inchikey: WGCKYSZZBQAHJJ-UHFFFAOYSA-L
norman_susdat_id: NS00092236
smiles: [Ca+2].[O-]C(=O)Cc1sc(nc1c2ccc(Cl)cc2)c3ccccc3.[O-]C(=O)Cc4sc(nc4c5ccc(Cl)cc5)c6ccccc6
inchi:
InChI=1/2C17H12ClNO2S.Ca/c2*18-13-8-6-11(7-9-13)16-14(10-15(20)21)22-17(19-16)12-4-2-1-3-5-12;/h2*1-9H,10H2,(H,20,21);/q;;+2/p-2


name: Ciprofloxacin
cas: 85721-33-1
chebiid: CHEBI:100241
chemspiderid: 2662
dtxsid: DTXSID8022824
formula: C17H18F1N3O3
inchikey: MYSWGUAQZAJSOK-UHFFFAOYSA-N
norman_susdat_id: NS00008031
pubchem_cid: 4011971
smiles: OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
eea_notation: CAS_85721-33-1
inchi:
InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)


name: [4-(2-tert-Butoxy-2-oxoethoxy)phenyl](diphenyl)sulfanium nonafluorobutane-1-sulfonate
cas: 857285-80-4
dtxsid: DTXSID90622114
formula: C28H25F9O6S2
inchikey: QGJXWNMBTQGAFT-UHFFFAOYSA-M
norman_susdat_id: NS00111938
inchi:
InChI=1S/C24H25O3S.C4HF9O3S/c1-24(2,3)27-23(25)18-26-19-14-16-22(17-15-19)28(20-10-6-4-7-11-20)21-12-8-5-9-13-21;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h4-17H,18H2,1-3H3;(H,14,15,16)/q+1;/p-1

smiles:
[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)OC(=O)COC1=CC=C(C=C1)[S+](C1=CC=CC=C1)C1=CC=CC=C1


cas: 85750-09-0
formula: C37H29N9O14S3
inchikey: HXNWVUPMXDOVKM-UHFFFAOYSA-J
norman_susdat_id: NS00065007
pubchem_cid: NA
name:
Tetrasodium N-[4-[[4-[[4-[[1-amino-8-hydroxy-3,6-disulphonato-7-[(4-sulphonatophenyl)azo]-2-naphthyl]azo]benzoyl]amino]phenyl]azo]-3-hydroxyphenyl]glycinate

inchi:
InChI=1/C37H29N9O14S3.4Na/c38-33-32-20(16-30(63(58,59)60)35(36(32)50)46-43-24-9-12-26(13-10-24)61(52,53)54)15-29(62(55,56)57)34(33)45-42-22-3-1-19(2-4-22)37(51)40-21-5-7-23(8-6-21)41-44-27-14-11-25(17-28(27)47)39-18-31(48)49;;;;/h1-17,39,47,50H,18,38H2,(H,40,51)(H,48,49)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])CNC1=CC=C(N=NC2=CC=C(C=C2)NC(=O)C3=CC=C(N=NC=4C(N)=C5C(C=C(C(N=NC6=CC=C(C=C6)S(=O)(=O)[O-])=C5O)S(=O)(=O)[O-])=CC4S(=O)(=O)[O-])C=C3)C(O)=C1


cas: 85750-10-3
formula: C22H24N5O8S
inchikey: YCPGPBLERLNEKN-UHFFFAOYSA-N
norman_susdat_id: NS00065776
pubchem_cid: 3020960
smiles: O=C(OCCS(=O)(=O)C1=CC=C(OC)C(=C1)N2N=C(C)C(N=NC3=CC=C(C=C3[N+](=O)[O-])C)C2=O)C
name:
2-[5-[[2-(acetoxy)ethyl]sulphonyl]-2-methoxyphenyl]-2,4-dihydro-5-methyl-4-[(4-methyl-2-nitrophenyl)azo]-3H-pyrazol-3-one

inchi:
InChI=1/C22H23N5O8S/c1-13-5-7-17(18(11-13)27(30)31)23-24-21-14(2)25-26(22(21)29)19-12-16(6-8-20(19)34-4)36(32,33)10-9-35-15(3)28/h5-8,11-12,21H,9-10H2,1-4H3


cas: 85750-11-4
formula: C22H24N5O9S
inchikey: MXAMPEDYDQZTRQ-UHFFFAOYSA-N
norman_susdat_id: NS00064597
pubchem_cid: 3020961
smiles: O=C(OCCS(=O)(=O)C1=CC=C(OC)C(=C1)N2N=C(C)C(N=NC3=CC=C(OC)C=C3[N+](=O)[O-])C2=O)C
name:
2-[[3-[2,4-dihydro-4-[(4-methoxy-2-nitrophenyl)azo]-5-methyl-3-oxo-3H-pyrazol-2-yl]-4-methoxyphenyl]sulphonyl]ethyl acetate

inchi:
InChI=1/C22H23N5O9S/c1-13-21(24-23-17-7-5-15(34-3)11-18(17)27(30)31)22(29)26(25-13)19-12-16(6-8-20(19)35-4)37(32,33)10-9-36-14(2)28/h5-8,11-12,21H,9-10H2,1-4H3


cas: 85750-12-5
formula: C22H24N5O8S
inchikey: LJMNBFUCKAXZMW-UHFFFAOYSA-N
norman_susdat_id: NS00064497
pubchem_cid: 3020962
smiles: O=C(OCCS(=O)(=O)C1=CC=C(OC)C(=C1)N2N=C(C)C(N=NC=3C=CC=CC3[N+](=O)[O-])C2=O)CC
name:
2,4-dihydro-2-[2-methoxy-5-[[2-(propionyloxy)ethyl]sulphonyl]phenyl]-5-methyl-4-[(2-nitrophenyl)azo]-3H-pyrazol-3-one

inchi:
InChI=1/C22H23N5O8S/c1-4-20(28)35-11-12-36(32,33)15-9-10-19(34-3)18(13-15)26-22(29)21(14(2)25-26)24-23-16-7-5-6-8-17(16)27(30)31/h5-10,13,21H,4,11-12H2,1-3H3


name: 4-[(2-chloro-4-nitrophenyl)azo]-N-ethyl-N-[2-[1-(2-methylpropoxy)ethoxy]ethyl]aniline
cas: 85750-13-6
formula: C22H30ClN4O4
inchikey: VWRRSPVNTFSBNV-UHFFFAOYSA-N
norman_susdat_id: NS00065777
pubchem_cid: 3020963
smiles: O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2)N(CC)CCOC(OCC(C)C)C)C(Cl)=C1
inchi:
InChI=1/C22H29ClN4O4/c1-5-26(12-13-30-17(4)31-15-16(2)3)19-8-6-18(7-9-19)24-25-22-11-10-20(27(28)29)14-21(22)23/h6-11,14,16-17H,5,12-13,15H2,1-4H3


cas: 85750-14-7
formula: C23H17Cl2N5O6S.Na
inchikey: ZSNAWJQXWUXEBG-UHFFFAOYSA-M
norman_susdat_id: NS00092893
smiles: [Na+].[O-]C(=O)c4ccccc4NS(=O)(=O)c1cc(O)c(cc1Cl)N=NC3C(\C)=N/N(c2cc(Cl)ccc2)C3=O
name:
Sodium 2-[[[2-chloro-4-[[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-hydroxyphenyl]sulphonyl]amino]benzoate

inchi:
InChI=1/C23H17Cl2N5O6S.Na/c1-12-21(22(32)30(28-12)14-6-4-5-13(24)9-14)27-26-18-10-16(25)20(11-19(18)31)37(35,36)29-17-8-3-2-7-15(17)23(33)34;/h2-11,21,29,31H,1H3,(H,33,34);/q;+1/p-1


cas: 85750-15-8
formula: C23H17Cl2N5O6S
inchikey: BDCNIJYXQLKZPP-UHFFFAOYSA-N
norman_susdat_id: NS00065008
pubchem_cid: 3020965
smiles: O=C(O)C=1C=CC=CC1NS(=O)(=O)C=2C=C(O)C(N=NC3C(=O)N(N=C3C)C=4C=CC=C(Cl)C4)=CC2Cl
name:
2-[[[2-chloro-4-[[1-(3-chlorophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-hydroxyphenyl]sulphonyl]amino]benzoic acid

inchi:
InChI=1/C23H17Cl2N5O6S/c1-12-21(22(32)30(28-12)14-6-4-5-13(24)9-14)27-26-18-10-16(25)20(11-19(18)31)37(35,36)29-17-8-3-2-7-15(17)23(33)34/h2-11,21,29,31H,1H3,(H,33,34)


cas: 85750-16-9
dtxsid: DTXSID601006360
formula: C29H20Cl3N9O10S3
inchikey: NQGVOSFNUGKNHU-UHFFFAOYSA-K
norman_susdat_id: NS00065009
pubchem_cid: 11970997
name:
Trisodium 5-[[4-chloro-6-[[3-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulphonatophenyl]amino]-1,3,5-triazin-2-yl]amino]naphthalene-2-sulphonate

inchi:
InChI=1/C29H20Cl3N9O10S3.3Na/c1-13-25(26(42)41(40-13)22-11-19(31)24(12-18(22)30)54(49,50)51)39-38-21-10-15(5-8-23(21)53(46,47)48)33-28-35-27(32)36-29(37-28)34-20-4-2-3-14-9-16(52(43,44)45)6-7-17(14)20;;;/h2-12,25H,1H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H2,33,34,35,36,37);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C1N(N=C(C)C1N=NC2=CC(=CC=C2S(=O)(=O)[O-])NC3=NC(Cl)=NC(=N3)NC4=CC=CC5=CC(=CC=C54)S(=O)(=O)[O-])C6=CC(Cl)=C(C=C6Cl)S(=O)(=O)[O-]


cas: 85750-17-0
formula: C29H23N7O11S3.2Na
inchikey: HQLUHSRIXMXAEY-UHFFFAOYSA-L
norman_susdat_id: NS00092903
name:
Disodium 4-amino-5-hydroxy-6-[[2-methyl-5-[(phenylamino)sulphonyl]phenyl]azo]-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C29H23N7O11S3.2Na/c1-16-7-12-21(48(40,41)35-19-5-3-2-4-6-19)15-22(16)32-34-28-24(50(45,46)47)14-17-13-23(49(42,43)44)27(26(30)25(17)29(28)37)33-31-18-8-10-20(11-9-18)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)c1ccc(cc1)N=Nc2c(N)c5c(cc2S([O-])(=O)=O)cc(c(N=Nc3cc(ccc3C)S(=O)(=O)Nc4ccccc4)c5O)S([O-])(=O)=O


cas: 85750-18-1
formula: C29H24N7O11S3
inchikey: MAOJHXLOXSUVKT-UHFFFAOYSA-N
norman_susdat_id: NS00065028
pubchem_cid: 135570919
name:
4-amino-5-hydroxy-6-[[2-methyl-5-[(phenylamino)sulphonyl]phenyl]azo]-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonic acid

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

smiles:
O=[N+]([O-])C1=CC=C(N=NC=2C(N)=C3C(C=C(C(N=NC4=CC(=CC=C4C)S(=O)(=O)NC=5C=CC=CC5)=C3O)S(=O)(=O)O)=CC2S(=O)(=O)O)C=C1


cas: 85750-19-2
formula: C30H29N3O8S
inchikey: UKPVMFRQHJLLPY-UHFFFAOYSA-N
norman_susdat_id: NS00065805
pubchem_cid: 3020969
smiles: O=C(OCCS(=O)(=O)C1=CC=C(OC)C(N=NC2=C(O)C(=CC=3C=CC=CC32)C(=O)NC=4C=CC=CC4OC)=C1)CC
name:
3-hydroxy-4-[[2-methoxy-5-[[2-(1-oxopropoxy)ethyl]sulphonyl]phenyl]azo]-N-(2-methoxyphenyl)naphthalene-2-carboxamide

inchi:
InChI=1/C30H29N3O8S/c1-4-27(34)41-15-16-42(37,38)20-13-14-26(40-3)24(18-20)32-33-28-21-10-6-5-9-19(21)17-22(29(28)35)30(36)31-23-11-7-8-12-25(23)39-2/h5-14,17-18,35H,4,15-16H2,1-3H3,(H,31,36)


cas: 85750-20-5
formula: C30H29N3O8S
inchikey: WSAZRHZGNKCUKR-UHFFFAOYSA-N
norman_susdat_id: NS00064598
pubchem_cid: 3020970
smiles: O=C(OCCS(=O)(=O)C1=CC=C(OC)C(N=NC2=C(O)C(=CC=3C=CC=CC32)C(=O)NC4=CC=C(OC)C=C4)=C1)CC
name:
3-hydroxy-4-[[2-methoxy-5-[[2-(1-oxopropoxy)ethyl]sulphonyl]phenyl]azo]-N-(4-methoxyphenyl)naphthalene-2-carboxamide

inchi:
InChI=1/C30H29N3O8S/c1-4-27(34)41-15-16-42(37,38)22-13-14-26(40-3)25(18-22)32-33-28-23-8-6-5-7-19(23)17-24(29(28)35)30(36)31-20-9-11-21(39-2)12-10-20/h5-14,17-18,35H,4,15-16H2,1-3H3,(H,31,36)


name: 2-[2-[4-[benzyl(2-cyanoethyl)amino]phenyl]vinyl]-1,3,3-trimethyl-3H-indolium chloride
cas: 85750-21-6
dtxsid: DTXSID301006361
formula: C29H30N3
inchikey: IHKAORHSFQAYNL-UHFFFAOYSA-M
norman_susdat_id: NS00065806
pubchem_cid: NA
smiles: [Cl-].N#CCCN(C1=CC=C(C=C1)C=CC2=[N+](C=3C=CC=CC3C2(C)C)C)CC=4C=CC=CC4
inchi:
InChI=1/C29H30N3.ClH/c1-29(2)26-12-7-8-13-27(26)31(3)28(29)19-16-23-14-17-25(18-15-23)32(21-9-20-30)22-24-10-5-4-6-11-24;/h4-8,10-19H,9,21-22H2,1-3H3;1H/q+1;/p-1


cas: 85750-22-7
formula: C30H20ClN7O13S3
inchikey: XZHMDYGLVMDQCJ-UHFFFAOYSA-J
norman_susdat_id: NS00064599
pubchem_cid: NA
name:
Tetrasodium 4-[[4-chloro-6-[[8-hydroxy-3,6-disulphonato-7-[(1-sulphonato-2-naphthyl)azo]-1-naphthyl]amino]-1,3,5-triazin-2-yl]amino]salicylate

inchi:
InChI=1/C30H20ClN7O13S3.4Na/c31-28-34-29(32-15-6-7-18(27(41)42)21(39)11-15)36-30(35-28)33-20-12-16(52(43,44)45)9-14-10-22(53(46,47)48)24(25(40)23(14)20)38-37-19-8-5-13-3-1-2-4-17(13)26(19)54(49,50)51;;;;/h1-12,39-40H,(H,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H2,32,33,34,35,36);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=CC=C(C=C1O)NC2=NC(Cl)=NC(=N2)NC3=CC(=CC4=CC(=C(N=NC=5C=CC=6C=CC=CC6C5S(=O)(=O)[O-])C(O)=C43)S(=O)(=O)[O-])S(=O)(=O)[O-]


name: 2-[[7-[(3-aminobenzoyl)amino]-1-hydroxy-3-sulpho-2-naphthyl]azo]-5-(phenylazo)benzoic acid
cas: 85750-23-8
formula: C30H22N6O7S
inchikey: PBUPPRUGCLQPAR-UHFFFAOYSA-N
norman_susdat_id: NS00064498
pubchem_cid: NA
smiles: O=C(O)C1=CC(N=NC=2C=CC=CC2)=CC=C1N=NC=3C(O)=C4C=C(C=CC4=CC3S(=O)(=O)O)NC(=O)C=5C=CC=C(N)C5
inchi:
InChI=1/C30H22N6O7S/c31-19-6-4-5-18(13-19)29(38)32-21-10-9-17-14-26(44(41,42)43)27(28(37)23(17)15-21)36-35-25-12-11-22(16-24(25)30(39)40)34-33-20-7-2-1-3-8-20/h1-16,37H,31H2,(H,32,38)(H,39,40)(H,41,42,43)


name: 3-methoxy-4-(pyrrolidin-1-yl)benzenediazonium hexafluorophosphate
cas: 85750-31-8
formula: C11H14N3O.F6P
inchikey: IXWHDLSQLLUNIW-UHFFFAOYSA-N
norman_susdat_id: NS00092193
smiles: COc1cc(ccc1N2CCCC2)[N+]#N.F[P-](F)(F)(F)(F)F
inchi:
InChI=1/C11H14N3O.F6P/c1-15-11-8-9(13-12)4-5-10(11)14-6-2-3-7-14;1-7(2,3,4,5)6/h4-5,8H,2-3,6-7H2,1H3;/q+1;-1


name: 5-Methoxy-4-(morpholin-4-yl)-2-((p-tolyl)thio)benzenediazonium tetrafluoroborate
cas: 85750-32-9
chemspiderid: 17333834
dtxsid: DTXSID90235046
formula: C18H20N3O2S1
inchikey: VOIGUAXCQHBXKC-UHFFFAOYSA-N
norman_susdat_id: NS00039059
pubchem_cid: 16205640
smiles: F[B-](F)(F)F.COc1c(cc(Sc2ccc(C)cc2)c(c1)[N+]#N)N1CCOCC1
inchi:
InChI=1S/C18H20N3O2S/c1-13-3-5-14(6-4-13)24-18-12-16(21-7-9-23-10-8-21)17(22-2)11-15(18)20-19/h3-6,11-12H,7-10H2,1-2H3/q+1


name: 5-methoxy-4-(morpholin-4-yl)-2-[(p-tolyl)thio]benzenediazonium tetrachlorozincate (2:1)
cas: 85750-33-0
formula: C18H20N3O2S.1/2Cl4Zn
inchikey: ZVEQJUNMQYNOFX-UHFFFAOYSA-J
norman_susdat_id: NS00092461
inchi:
InChI=1/2C18H20N3O2S.4ClH.Zn/c2*1-13-3-5-14(6-4-13)24-18-12-16(21-7-9-23-10-8-21)17(22-2)11-15(18)20-19;;;;;/h2*3-6,11-12H,7-10H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C18H20N3O2S.Cl4Zn/c2*1-13-3-5-14(6-4-13)24-18-12-16(21-7-9-23-10-8-21)17(22-2)11-15(18)20-19;1-5(2,3)4/h2*3-6,11-12H,7-10H2,1-2H3;/q2*+1;-2

smiles:
COc1cc([N+]#N)c(Sc2ccc(C)cc2)cc1N3CCOCC3.COc4cc([N+]#N)c(Sc5ccc(C)cc5)cc4N6CCOCC6.Cl[Zn-2](Cl)(Cl)Cl


name: N-(2,4-Dioxo-4-(phenylamino)butyl)-3-hydroxynaphthalene-2-carboxamide
cas: 85750-34-1
chemspiderid: 2287725
dtxsid: DTXSID10235048
formula: C21H18N2O4
inchikey: VVTRPYGBBSGKPZ-UHFFFAOYSA-N
norman_susdat_id: NS00039060
pubchem_cid: 3020974
smiles: Oc1cc2c(cccc2)cc1C(=O)NCC(=O)CC(=O)Nc1ccccc1
inchi:
InChI=1S/C21H18N2O4/c24-17(12-20(26)23-16-8-2-1-3-9-16)13-22-21(27)18-10-14-6-4-5-7-15(14)11-19(18)25/h1-11,25H,12-13H2,(H,22,27)(H,23,26)


name: 2,5-diethoxy-4-[(phenylmethyl)amino]benzenediazonium tetrachlorozincate (2:1)
cas: 85750-36-3
dtxsid: DTXSID70235049
formula: C17H20N3O2
inchikey: JGPAFURGSVRZPS-UHFFFAOYSA-J
norman_susdat_id: NS00065031
pubchem_cid: 56842286
inchi:
InChI=1/2C17H20N3O2.4ClH.Zn/c2*1-3-21-16-11-15(20-18)17(22-4-2)10-14(16)19-12-13-8-6-5-7-9-13;;;;;/h2*5-11,19H,3-4,12H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C17H20N3O2.Cl4Zn/c2*1-3-21-16-11-15(20-18)17(22-4-2)10-14(16)19-12-13-8-6-5-7-9-13;1-5(2,3)4/h2*5-11,19H,3-4,12H2,1-2H3;/q2*+1;-2

smiles:
N#[N+]C=1C=C(OCC)C(=CC1OCC)NCC=2C=CC=CC2.N#[N+]C=1C=C(OCC)C(=CC1OCC)NCC=2C=CC=CC2.Cl[Zn-2](Cl)(Cl)Cl


name: Staurosporinone
cas: 85753-43-1
formula: C20H13N3O
inchikey: MEXUTNIFSHFQRG-UHFFFAOYSA-N
norman_susdat_id: NS00069049
pubchem_cid: 3815
smiles: O=C1NCc2c1c1c3ccccc3[nH]c1c1[nH]c3ccccc3c21
inchi:
InChI=1S/C20H13N3O/c24-20-17-12(9-21-20)15-10-5-1-3-7-13(10)22-18(15)19-16(17)11-6-2-4-8-14(11)23-19/h1-8,22-23H,9H2,(H,21,24)


name: AT7867
cas: 857531-00-1
chebiid: CHEBI:82708
dtxsid: DTXSID00457772
formula: C20H20ClN3
inchikey: LZMOSYUFVYJEPY-UHFFFAOYSA-N
norman_susdat_id: NS00071191
pubchem_cid: 11175137
smiles: Clc1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CCNCC2)cc1
inchi:
InChI=1S/C20H20ClN3/c21-19-7-5-18(6-8-19)20(9-11-22-12-10-20)17-3-1-15(2-4-17)16-13-23-24-14-16/h1-8,13-14,22H,9-12H2,(H,23,24)


name: Carbamazepine dihydrate
cas: 85756-57-6
dtxsid: DTXSID00235052
formula: C15H16N2O3
inchikey: UPTJXAHTRRBMJE-UHFFFAOYSA-N
norman_susdat_id: NS00076146
smiles: O.O.NC(=O)N1C2=CC=CC=C2C=CC2=CC=CC=C12
inchi:
InChI=1S/C15H12N2O.2H2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17;;/h1-10H,(H2,16,18);2*1H2


name: (S)-1-(4-chlorobenzoyl)-5-oxo-N,N-dipropylpyrrolidine-2-carboxamide
cas: 85760-87-8
formula: C18H23ClN2O3
inchikey: BSYCXIOQCHQTSA-HNNXBMFYSA-N
norman_susdat_id: NS00064502
pubchem_cid: 21149658
smiles: O=C(C1=CC=C(Cl)C=C1)N2C(=O)CCC2C(=O)N(CCC)CCC
inchi:
InChI=1/C18H23ClN2O3/c1-3-11-20(12-4-2)18(24)15-9-10-16(22)21(15)17(23)13-5-7-14(19)8-6-13/h5-8,15H,3-4,9-12H2,1-2H3


name: (S)-1-Benzoyl-N,N-diethyl-5-oxopyrrolidine-2-carboxamide
cas: 85760-92-5
chemspiderid: 19973594
dtxsid: DTXSID40235056
formula: C16H20N2O3
inchikey: BQWDCWDJASHHKV-ZDUSSCGKSA-N
norman_susdat_id: NS00039064
pubchem_cid: 21116958
smiles: CCN(CC)C(=O)C1CCC(=O)N1C(=O)c1ccccc1
inchi:
InChI=1S/C16H20N2O3/c1-3-17(4-2)16(21)13-10-11-14(19)18(13)15(20)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3/t13-/m0/s1


cas: 85763-59-3
dtxsid: DTXSID90235061
formula: C21H26ClN6O2
inchikey: CWEVMHZLDOAQNG-UHFFFAOYSA-L
norman_susdat_id: NS00065630
pubchem_cid: NA
name:
1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]-2,3-dimethyl-1H-imidazolium tetrachlorozincate(2-)

inchi:
InChI=1/2C21H25ClN6O2.4ClH.Zn/c2*1-4-26(13-14-27-12-11-25(3)16(27)2)18-7-5-17(6-8-18)23-24-21-10-9-19(28(29)30)15-20(21)22;;;;;/h2*5-12,15-16H,4,13-14H2,1-3H3;4*1H;/q;;;;;;+2/p-2/r2C21H25ClN6O2.Cl4Zn/c2*1-4-26(13-14-27-12-11-25(3)16(27)2)18-7-5-17(6-8-18)23-24-21-10-9-19(28(29)30)15-20(21)22;1-5(2,3)4/h2*5-12,15-16H,4,13-14H2,1-3H3;/q;;-2/p+2

smiles:
O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2)N(CC)CC[NH+]3C=CN(C)C3C)C(Cl)=C1.O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2)N(CC)CC[NH+]3C=CN(C)C3C)C(Cl)=C1.Cl[Zn-2](Cl)(Cl)Cl


name: CTK5F5734
cas: 857637-92-4
dtxsid: DTXSID80468260
formula: C18H14F13NO2
inchikey: LPSJVRKHQCWHPG-WDEREUQCSA-N
norman_susdat_id: NS00111589
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[C@H]1OC(=O)N[C@H]1CC1=CC=CC=C1
inchi:
InChI=1S/C18H14F13NO2/c19-13(20,14(21,22)15(23,24)16(25,26)17(27,28)18(29,30)31)7-6-11-10(32-12(33)34-11)8-9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,32,33)/t10-,11+/m0/s1


name: 2,2'-(Naphthalene-1,4-diyl)bis(5-(1,1'-biphenyl)-4-yl-1,3,4-oxadiazole)
cas: 85765-06-6
chemspiderid: 21165160
dtxsid: DTXSID10235063
formula: C38H24N4O2
inchikey: PCFFWUSPULMRMJ-UHFFFAOYSA-N
norman_susdat_id: NS00039065
pubchem_cid: 56842336
smiles: o1c(nnc1c1ccc(c2nnc(o2)c2ccc(cc2)c2ccccc2)c2ccccc12)c1ccc(cc1)c1ccccc1
inchi:
InChI=1S/C38H24N4O2/c1-3-9-25(10-4-1)27-15-19-29(20-16-27)35-39-41-37(43-35)33-23-24-34(32-14-8-7-13-31(32)33)38-42-40-36(44-38)30-21-17-28(18-22-30)26-11-5-2-6-12-26/h1-24H


name: 2,2'-(Naphthalene-1,4-diyl)bis(5-phenyl-1,3,4-oxadiazole)
cas: 85765-25-9
chemspiderid: 21165161
dtxsid: DTXSID70235064
formula: C26H16N4O2
inchikey: QDKHNXQNYOAZDT-UHFFFAOYSA-N
norman_susdat_id: NS00039066
pubchem_cid: 53446768
smiles: o1c(nnc1c1ccc(c2nnc(o2)c2ccccc2)c2ccccc12)c1ccccc1
inchi:
InChI=1S/C26H16N4O2/c1-3-9-17(10-4-1)23-27-29-25(31-23)21-15-16-22(20-14-8-7-13-19(20)21)26-30-28-24(32-26)18-11-5-2-6-12-18/h1-16H


cas: 85776-13-2
chemspiderid: 30910073
dtxsid: DTXSID60722731
formula: C25H20Cl2N4O4S1
inchikey: YCYYIMYGRULBKO-UHFFFAOYSA-N
norman_susdat_id: NS00005069
pubchem_cid: NA
smiles: CNS(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc1c(O)c(cc2ccccc12)C(=O)Nc1ccccc1C
name:
4-{2-[2,5-Dichloro-4-(methylsulfamoyl)phenyl]hydrazinylidene}-N-(2-methylphenyl)-3-oxo-3,4-dihydronaphthalene-2-carboxamide

inchi:
InChI=1S/C25H20Cl2N4O4S/c1-14-7-3-6-10-20(14)29-25(33)17-11-15-8-4-5-9-16(15)23(24(17)32)31-30-21-12-19(27)22(13-18(21)26)36(34,35)28-2/h3-13,28,32H,1-2H3,(H,29,33)


name: N-[3-(diethylamino)-2-hydroxypropyl]-3-methoxy-1-phenyl-1H-indole-2-carboxamide
cas: 85793-29-9
formula: C23H29N3O3
inchikey: JZQYAVBXJCQSOK-UHFFFAOYSA-N
norman_susdat_id: NS00066372
pubchem_cid: 54965
smiles: O=C(NCC(O)CN(CC)CC)C1=C(OC)C=2C=CC=CC2N1C=3C=CC=CC3
inchi:
InChI=1/C23H29N3O3/c1-4-25(5-2)16-18(27)15-24-23(28)21-22(29-3)19-13-9-10-14-20(19)26(21)17-11-7-6-8-12-17/h6-14,18,27H,4-5,15-16H2,1-3H3,(H,24,28)


cas: 85798-66-9
dtxsid: DTXSID201006382
formula: C15H19Cl2NO
inchikey: GNXQBSCRDXYPLG-CZQKSLNSSA-N
norman_susdat_id: NS00065148
pubchem_cid: NA
smiles: Cl.ClC=1C=C2C(=CC1Cl)C3CCC(O)C(C2)C3N(C)C
name:
(5a,8a,9a,11R*)-2,3-dichloro-11-(dimethylamino)-5,6,7,8,9,10-hexahydro-5,9-methanobenzocycloocten-8-ol hydrochloride

inchi:
InChI=1/C15H19Cl2NO.ClH/c1-18(2)15-9-3-4-14(19)11(15)5-8-6-12(16)13(17)7-10(8)9;/h6-7,9,11,14-15,19H,3-5H2,1-2H3;1H


name: 4-[2-(3,5-Dihydroxyphenyl)ethenyl]phenyl hydrogen sulfate
cas: 858187-19-6
dtxsid: DTXSID50700260
formula: C14H12O6S
inchikey: KOTTWDFKZULRPN-UHFFFAOYSA-N
norman_susdat_id: NS00077053
smiles: OC1=CC(C=CC2=CC=C(OS(O)(=O)=O)C=C2)=CC(O)=C1
inchi:
InChI=1S/C14H12O6S/c15-12-7-11(8-13(16)9-12)2-1-10-3-5-14(6-4-10)20-21(17,18)19/h1-9,15-16H,(H,17,18,19)


name: 4-((4-(((4,6-Dimethyl-2-pyrimidinyl)amino)sulphonyl)phenyl)amino)-4-oxobutyric acid
cas: 85828-79-1
chemspiderid: 942268
dtxsid: DTXSID90235107
formula: C16H18N4O5S1
inchikey: IBPVENLZDNUDHD-UHFFFAOYSA-N
norman_susdat_id: NS00039069
pubchem_cid: 1105728
smiles: Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)CCC(=O)O)cc2)n1
inchi:
InChI=1S/C16H18N4O5S/c1-10-9-11(2)18-16(17-10)20-26(24,25)13-5-3-12(4-6-13)19-14(21)7-8-15(22)23/h3-6,9H,7-8H2,1-2H3,(H,19,21)(H,22,23)(H,17,18,20)


name: DL-lysine mono(4-oxo-4H-1-benzopyran-2-carboxylate)
cas: 85828-80-4
formula: C10H6O4.C6H14N2O2
inchikey: VIZSJVROPKSKBP-UHFFFAOYSA-N
norman_susdat_id: NS00092806
smiles: NCCCCC(N)C(=O)O.OC(=O)C1=CC(=O)c2ccccc2O1
inchi:
InChI=1/C10H6O4.C6H14N2O2/c11-7-5-9(10(12)13)14-8-4-2-1-3-6(7)8;7-4-2-1-3-5(8)6(9)10/h1-5H,(H,12,13);5H,1-4,7-8H2,(H,9,10)


name: Benzeneacetic acid, 3,5-diiodo-4-(4-hydroxy-3-(1-methylethyl)phenoxy)-
cas: 85828-81-5
chemspiderid: 171913
dtxsid: DTXSID50235108
formula: C17H16I2O4
inchikey: KSZBMSJSJFZGRF-UHFFFAOYSA-N
norman_susdat_id: NS00039070
pubchem_cid: 198621
smiles: CC(C)c1cc(Oc2c(I)cc(CC(=O)O)cc2I)ccc1O
inchi:
InChI=1S/C17H16I2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)


name: Ethyl 3,5-diiodo-4-(4-methoxyphenoxy)phenylacetate
cas: 85828-82-6
dtxsid: DTXSID10235109
formula: C17H16I2O4
inchikey: BCLWYRUGYYCELP-UHFFFAOYSA-N
norman_susdat_id: NS00065177
pubchem_cid: 3020978
smiles: O=C(OCC)CC1=CC(I)=C(OC2=CC=C(OC)C=C2)C(I)=C1
inchi:
InChI=1/C17H16I2O4/c1-3-22-16(20)10-11-8-14(18)17(15(19)9-11)23-13-6-4-12(21-2)5-7-13/h4-9H,3,10H2,1-2H3


name: Trisodium 5,7-bis(carboxylatomethoxy)-4-oxo-3-phenyl-4H-1-benzopyran-2-carboxylate
cas: 85828-84-8
dtxsid: DTXSID101006410
formula: C20H14O10
inchikey: NSKNHTAJJIDYDB-UHFFFAOYSA-K
norman_susdat_id: NS00066373
pubchem_cid: NA
smiles: [Na+].[Na+].[Na+].O=C([O-])C=1OC2=CC(OCC(=O)[O-])=CC(OCC(=O)[O-])=C2C(=O)C1C=3C=CC=CC3
inchi:
InChI=1/C20H14O10.3Na/c21-14(22)8-28-11-6-12(29-9-15(23)24)17-13(7-11)30-19(20(26)27)16(18(17)25)10-4-2-1-3-5-10;;;/h1-7H,8-9H2,(H,21,22)(H,23,24)(H,26,27);;;/q;3*+1/p-3


cas: 85851-53-2
formula: C26H32BrClN6O10
inchikey: JVKVLNPRPMQFPS-UHFFFAOYSA-N
norman_susdat_id: NS00066374
pubchem_cid: 3020979
smiles: O=C(OCCN(C1=CC(NC(=O)C)=C(N=NC2=C(Br)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C=C1OCC)CCOC(=O)CCC)CCl
name:
2-[[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-ethoxyphenyl][2-[(chloroacetyl)oxy]ethyl]amino]ethyl butyrate

inchi:
InChI=1/C26H30BrClN6O10/c1-4-6-24(36)43-9-7-32(8-10-44-25(37)15-28)21-13-19(29-16(3)35)20(14-23(21)42-5-2)30-31-26-18(27)11-17(33(38)39)12-22(26)34(40)41/h11-14H,4-10,15H2,1-3H3,(H,29,35)


cas: 85851-54-3
chemspiderid: 35766565
dtxsid: DTXSID50235123
formula: C24H25Br1Cl2N6O10
inchikey: KKRKAZCBHKJVEY-QVIHXGFCSA-N
norman_susdat_id: NS00039071
pubchem_cid: NA
smiles: CCOc1c(cc(NC(=O)C)c(c1)N=Nc1c(cc(cc1Br)[N+](=O)[O-])[N+](=O)[O-])N(CCOC(=O)CCl)CCOC(=O)CCl
name:
((5-(Acetylamino)-4-((2-bromo-4,6-dinitrophenyl)azo)-2-ethoxyphenyl)imino)di-2,1-ethanediyl bis(chloroacetate)

inchi:
InChI=1S/C24H25BrCl2N6O10/c1-3-41-21-11-18(29-30-24-16(25)8-15(32(37)38)9-20(24)33(39)40)17(28-14(2)34)10-19(21)31(4-6-42-22(35)12-26)5-7-43-23(36)13-27/h8-11H,3-7,12-13H2,1-2H3,(H,28,34)/b30-29+


name: Sodium p-[[p-[[p-(diethylamino)phenyl]azo]phenyl]azo]benzenesulphonate
cas: 85851-55-4
formula: C22H23N5O3S.Na
inchikey: DXONQZPBFYUCCY-UHFFFAOYSA-M
norman_susdat_id: NS00093205
smiles: [Na+].CCN(CC)c1ccc(cc1)N=Nc3ccc(N=Nc2ccc(cc2)S([O-])(=O)=O)cc3
inchi:
InChI=1/C22H23N5O3S.Na/c1-3-27(4-2)21-13-9-19(10-14-21)25-23-17-5-7-18(8-6-17)24-26-20-11-15-22(16-12-20)31(28,29)30;/h5-16H,3-4H2,1-2H3,(H,28,29,30);/q;+1/p-1


cas: 85851-56-5
formula: C38H26N10O16S3
inchikey: OLWYNQQCANTKHN-UHFFFAOYSA-K
norman_susdat_id: NS00065173
pubchem_cid: 135854079
name:
Trisodium 5-[[2,6-dihydroxy-3-[(4-nitrophenyl)azo]-5-[(4-sulphonato-1-naphthyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C38H24N10O16S3.3Na/c49-36-29(43-39-20-5-9-22(10-6-20)47(52)53)18-30(44-41-27-13-14-31(66(59,60)61)26-4-2-1-3-25(26)27)37(50)35(36)46-42-28-17-24(65(56,57)58)15-19-16-32(67(62,63)64)34(38(51)33(19)28)45-40-21-7-11-23(12-8-21)48(54)55;;;/h1-18,49-51H,(H,56,57,58)(H,59,60,61)(H,62,63,64);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC=2C=C(N=NC3=CC=C(C=4C=CC=CC34)S(=O)(=O)[O-])C(O)=C(N=NC5=CC(=CC6=CC(=C(N=NC7=CC=C(C=C7)[N+](=O)[O-])C(O)=C56)S(=O)(=O)[O-])S(=O)(=O)[O-])C2O)C=C1


cas: 85851-57-6
formula: C39H27Cl2N5O6
inchikey: FWRCAPSQFNUWRY-UHFFFAOYSA-N
norman_susdat_id: NS00066375
pubchem_cid: NA
name:
Methyl 2-[[3-[[[4-(benzoylamino)phenyl]amino]carbonyl]-2-hydroxy-1-naphthyl]azo]-4-[[(2,5-dichlorophenyl)amino]carbonyl]benzoate

inchi:
InChI=1/C39H27Cl2N5O6/c1-52-39(51)29-17-11-24(37(49)44-33-21-25(40)12-18-31(33)41)20-32(29)45-46-34-28-10-6-5-9-23(28)19-30(35(34)47)38(50)43-27-15-13-26(14-16-27)42-36(48)22-7-3-2-4-8-22/h2-21,47H,1H3,(H,42,48)(H,43,50)(H,44,49)

smiles:
O=C(OC)C1=CC=C(C=C1N=NC2=C(O)C(=CC=3C=CC=CC32)C(=O)NC4=CC=C(C=C4)NC(=O)C=5C=CC=CC5)C(=O)NC6=CC(Cl)=CC=C6Cl


cas: 85851-58-7
formula: C38H26Cl3N5O4
inchikey: QUSGMFJVBZTEIU-UHFFFAOYSA-N
norman_susdat_id: NS00065175
pubchem_cid: NA
name:
N-[4-(benzoylamino)phenyl]-3-hydroxy-4-[[2-methyl-5-[[(2,4,5-trichlorophenyl)amino]carbonyl]phenyl]azo]naphthalene-2-carboxamide

inchi:
InChI=1/C38H26Cl3N5O4/c1-21-11-12-24(37(49)44-33-20-30(40)29(39)19-31(33)41)18-32(21)45-46-34-27-10-6-5-9-23(27)17-28(35(34)47)38(50)43-26-15-13-25(14-16-26)42-36(48)22-7-3-2-4-8-22/h2-20,47H,1H3,(H,42,48)(H,43,50)(H,44,49)

smiles:
O=C(NC1=CC=C(C=C1)NC(=O)C2=CC=3C=CC=CC3C(N=NC4=CC(=CC=C4C)C(=O)NC5=CC(Cl)=C(Cl)C=C5Cl)=C2O)C=6C=CC=CC6


name: 2-[(4-amino-2,5-dimethoxyphenyl)azo]-3-oxo-N-phenylbutyramide
cas: 85851-59-8
formula: C18H20N4O4
inchikey: VXBVFMRXFGMBHL-UHFFFAOYSA-N
norman_susdat_id: NS00065181
pubchem_cid: 3020983
smiles: O=C(NC=1C=CC=CC1)C(N=NC=2C=C(OC)C(N)=CC2OC)C(=O)C
inchi:
InChI=1/C18H20N4O4/c1-11(23)17(18(24)20-12-7-5-4-6-8-12)22-21-14-10-15(25-2)13(19)9-16(14)26-3/h4-10,17H,19H2,1-3H3,(H,20,24)


cas: 85851-63-4
formula: C8H10N6.2C6H6N4O2
inchikey: SKBCOCQTOYWWMK-UHFFFAOYSA-N
norman_susdat_id: NS00093209
smiles: N/N=C1\NN/C(=N\N)C=2C=CC=CC1=2.CN2C=1NC=NC=1C(=O)NC2=O.CN2C=1NC=NC=1C(=O)NC2=O
name:
2,3-dihydrophthalazine-1,4-dione dihydrazone, compound with 3,7-dihydro-3-methyl-1H-purine-2,6-dione (1:2)

inchi:
InChI=1/C8H10N6.2C6H6N4O2/c9-11-7-5-3-1-2-4-6(5)8(12-10)14-13-7;2*1-10-4-3(7-2-8-4)5(11)9-6(10)12/h1-4H,9-10H2,(H,11,13)(H,12,14);2*2H,1H3,(H,7,8)(H,9,11,12)


name: 2,5-dimethylheptyl 4-methyloctyl phthalate
cas: 85851-76-9
dtxsid: DTXSID401006419
formula: C26H42O4
inchikey: NXXILHVVOZJPEM-UHFFFAOYSA-N
norman_susdat_id: NS00065633
pubchem_cid: 3020984
smiles: O=C(OCCCC(C)CCCC)C=1C=CC=CC1C(=O)OCC(C)CCC(C)CC
inchi:
InChI=1/C26H42O4/c1-6-8-12-21(4)13-11-18-29-25(27)23-14-9-10-15-24(23)26(28)30-19-22(5)17-16-20(3)7-2/h9-10,14-15,20-22H,6-8,11-13,16-19H2,1-5H3


name: 2,5-dimethylheptyl 6-methyloctyl phthalate
cas: 85851-77-0
dtxsid: DTXSID701006420
formula: C26H42O4
inchikey: PHPAWJHCSXLDCE-UHFFFAOYSA-N
norman_susdat_id: NS00065634
pubchem_cid: 3020985
smiles: O=C(OCCCCCC(C)CC)C=1C=CC=CC1C(=O)OCC(C)CCC(C)CC
inchi:
InChI=1/C26H42O4/c1-6-20(3)13-9-8-12-18-29-25(27)23-14-10-11-15-24(23)26(28)30-19-22(5)17-16-21(4)7-2/h10-11,14-15,20-22H,6-9,12-13,16-19H2,1-5H3


name: 4-methyloctyl 6-methyloctyl phthalate
cas: 85851-78-1
dtxsid: DTXSID401006421
formula: C26H42O4
inchikey: CHTDCFVLYHXJAA-UHFFFAOYSA-N
norman_susdat_id: NS00065183
pubchem_cid: 3020986
smiles: O=C(OCCCCCC(C)CC)C=1C=CC=CC1C(=O)OCCCC(C)CCCC
inchi:
InChI=1/C26H42O4/c1-5-7-14-22(4)16-13-20-30-26(28)24-18-11-10-17-23(24)25(27)29-19-12-8-9-15-21(3)6-2/h10-11,17-18,21-22H,5-9,12-16,19-20H2,1-4H3


name: 3-ethylheptyl 4-methyloctyl phthalate
cas: 85851-79-2
dtxsid: DTXSID101006422
formula: C26H42O4
inchikey: IUYBJQLDYPVZHG-UHFFFAOYSA-N
norman_susdat_id: NS00066387
pubchem_cid: 3020987
smiles: O=C(OCCCC(C)CCCC)C=1C=CC=CC1C(=O)OCCC(CC)CCCC
inchi:
InChI=1/C26H42O4/c1-5-8-13-21(4)14-12-19-29-25(27)23-16-10-11-17-24(23)26(28)30-20-18-22(7-3)15-9-6-2/h10-11,16-17,21-22H,5-9,12-15,18-20H2,1-4H3


name: 3-ethylheptyl 6-methyloctyl phthalate
cas: 85851-80-5
dtxsid: DTXSID801006423
formula: C26H42O4
inchikey: NYYCJHCPPINKEF-UHFFFAOYSA-N
norman_susdat_id: NS00065184
pubchem_cid: 3020988
smiles: O=C(OCCCCCC(C)CC)C=1C=CC=CC1C(=O)OCCC(CC)CCCC
inchi:
InChI=1/C26H42O4/c1-5-8-15-22(7-3)18-20-30-26(28)24-17-12-11-16-23(24)25(27)29-19-13-9-10-14-21(4)6-2/h11-12,16-17,21-22H,5-10,13-15,18-20H2,1-4H3


name: Bis(2-ethyloctyl) phthalate
cas: 85851-81-6
dtxsid: DTXSID501006424
formula: C28H46O4
inchikey: ORKHXMGDPOGDKE-UHFFFAOYSA-N
norman_susdat_id: NS00065185
pubchem_cid: 3020989
smiles: O=C(OCC(CC)CCCCCC)C=1C=CC=CC1C(=O)OCC(CC)CCCCCC
inchi:
InChI=1/C28H46O4/c1-5-9-11-13-17-23(7-3)21-31-27(29)25-19-15-16-20-26(25)28(30)32-22-24(8-4)18-14-12-10-6-2/h15-16,19-20,23-24H,5-14,17-18,21-22H2,1-4H3


name: Bis(2-ethylnonyl) phthalate
cas: 85851-82-7
dtxsid: DTXSID201006425
formula: C30H50O4
inchikey: LVFZGCKUCOADQM-UHFFFAOYSA-N
norman_susdat_id: NS00065186
pubchem_cid: 3020990
smiles: O=C(OCC(CC)CCCCCCC)C=1C=CC=CC1C(=O)OCC(CC)CCCCCCC
inchi:
InChI=1/C30H50O4/c1-5-9-11-13-15-19-25(7-3)23-33-29(31)27-21-17-18-22-28(27)30(32)34-24-26(8-4)20-16-14-12-10-6-2/h17-18,21-22,25-26H,5-16,19-20,23-24H2,1-4H3


name: Bis(2-methyldecyl) phthalate
cas: 85851-83-8
dtxsid: DTXSID901006426
formula: C30H50O4
inchikey: KROXVIOWGRNMQS-UHFFFAOYSA-N
norman_susdat_id: NS00066388
pubchem_cid: 3020991
smiles: O=C(OCC(C)CCCCCCCC)C=1C=CC=CC1C(=O)OCC(C)CCCCCCCC
inchi:
InChI=1/C30H50O4/c1-5-7-9-11-13-15-19-25(3)23-33-29(31)27-21-17-18-22-28(27)30(32)34-24-26(4)20-16-14-12-10-8-6-2/h17-18,21-22,25-26H,5-16,19-20,23-24H2,1-4H3


name: Bis(2-propylhexyl) phthalate
cas: 85851-84-9
dtxsid: DTXSID601006427
formula: C26H42O4
inchikey: NQHKLPYJSBLNDH-UHFFFAOYSA-N
norman_susdat_id: NS00065187
pubchem_cid: 3020992
smiles: O=C(OCC(CCC)CCCC)C=1C=CC=CC1C(=O)OCC(CCC)CCCC
inchi:
InChI=1/C26H42O4/c1-5-9-15-21(13-7-3)19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-22(14-8-4)16-10-6-2/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3


name: Bis(2-propyloctyl) phthalate
cas: 85851-85-0
dtxsid: DTXSID301006428
formula: C30H50O4
inchikey: OZOBAHCROJBFKA-UHFFFAOYSA-N
norman_susdat_id: NS00065188
pubchem_cid: 3020993
smiles: O=C(OCC(CCC)CCCCCC)C=1C=CC=CC1C(=O)OCC(CCC)CCCCCC
inchi:
InChI=1/C30H50O4/c1-5-9-11-13-19-25(17-7-3)23-33-29(31)27-21-15-16-22-28(27)30(32)34-24-26(18-8-4)20-14-12-10-6-2/h15-16,21-22,25-26H,5-14,17-20,23-24H2,1-4H3


name: 2-ethylhexyl nonyl phthalate
cas: 85851-86-1
dtxsid: DTXSID001006429
formula: C25H40O4
inchikey: PJOCCDABUHGCOF-UHFFFAOYSA-N
norman_susdat_id: NS00065208
pubchem_cid: 3020994
smiles: O=C(OCCCCCCCCC)C=1C=CC=CC1C(=O)OCC(CC)CCCC
inchi:
InChI=1/C25H40O4/c1-4-7-9-10-11-12-15-19-28-24(26)22-17-13-14-18-23(22)25(27)29-20-21(6-3)16-8-5-2/h13-14,17-18,21H,4-12,15-16,19-20H2,1-3H3


name: Hexyl isotridecyl phthalate
cas: 85851-89-4
chemspiderid: 34997467
dtxsid: DTXSID40235132
formula: C27H44O4
inchikey: KFKFOSIUAMETNI-UHFFFAOYSA-N
norman_susdat_id: NS00039072
pubchem_cid: 56842585
smiles: CCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC(C)C
inchi:
InChI=1S/C27H44O4/c1-4-5-6-16-21-30-26(28)24-19-14-15-20-25(24)27(29)31-22-17-12-10-8-7-9-11-13-18-23(2)3/h14-15,19-20,23H,4-13,16-18,21-22H2,1-3H3


name: Isotridecyl nonyl phthalate
cas: 85851-90-7
chemspiderid: 57514128
dtxsid: DTXSID00235133
formula: C30H50O4
inchikey: ZDISDHALDFLPAL-UHFFFAOYSA-N
norman_susdat_id: NS00039073
pubchem_cid: 56842586
smiles: CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCCCCC(C)C
inchi:
InChI=1S/C30H50O4/c1-4-5-6-7-11-14-19-24-33-29(31)27-22-17-18-23-28(27)30(32)34-25-20-15-12-9-8-10-13-16-21-26(2)3/h17-18,22-23,26H,4-16,19-21,24-25H2,1-3H3


name: Isodecyl nonyl phthalate
cas: 85851-91-8
chemspiderid: 34997133
dtxsid: DTXSID60235134
formula: C27H44O4
inchikey: KWZPQPGUAYDHMD-UHFFFAOYSA-N
norman_susdat_id: NS00039074
pubchem_cid: 56842587
smiles: CCCCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C
inchi:
InChI=1S/C27H44O4/c1-4-5-6-7-8-11-16-21-30-26(28)24-19-14-15-20-25(24)27(29)31-22-17-12-9-10-13-18-23(2)3/h14-15,19-20,23H,4-13,16-18,21-22H2,1-3H3


name: BB-22 3-Carboxyindole metabolite
cas: 858515-71-6
chebiid: CHEBI:170036
chemspiderid: 16099924
formula: C16H19N1O2
inchikey: DKZXRWRMQWNXFR-UHFFFAOYSA-N
norman_susdat_id: NS00017264
pubchem_cid: 23073195
smiles: C1CCC(CC1)CN2C=C(C3=CC=CC=C32)C(=O)O
inchi:
InChI=1S/C16H19NO2/c18-16(19)14-11-17(10-12-6-2-1-3-7-12)15-9-5-4-8-13(14)15/h4-5,8-9,11-12H,1-3,6-7,10H2,(H,18,19)


name: Methyl-1-(cyclohexylmethyl)-1H-indole-3-carboxylate
cas: 858515-82-9
chemspiderid: 29342118
formula: C17H21N1O2
inchikey: KNWOMWABRWXHET-UHFFFAOYSA-N
norman_susdat_id: NS00017677
pubchem_cid: 124518894
smiles: O=C(OC)C1=CN(CC2CCCCC2)C3=C1C=CC=C3
inchi:
InChI=1S/C17H21NO2/c1-20-17(19)15-12-18(11-13-7-3-2-4-8-13)16-10-6-5-9-14(15)16/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3


name: Trimethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
cas: 85857-16-5
dtxsid: DTXSID80235136
formula: C11H13F13O3Si
inchikey: BVQYIDJXNYHKRK-UHFFFAOYSA-N
norman_susdat_id: NS00065176
pubchem_cid: 2776334
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OC)(OC)OC
inchi:
InChI=1/C11H13F13O3Si/c1-25-28(26-2,27-3)5-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h4-5H2,1-3H3


name: Dimethoxymethyl(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
cas: 85857-17-6
dtxsid: DTXSID40235137
formula: C11H13F13O2Si
inchikey: FNWFDWVZPJMYPV-UHFFFAOYSA-N
norman_susdat_id: NS00065635
pubchem_cid: NA
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[SiH2]C(OC)OC
inchi:
InChI=1/C11H13F13O2Si/c1-25-5(26-2)27-4-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h5H,3-4,27H2,1-2H3


name: Calcium bis(tetracosylbenzenesulphonate)
cas: 85865-90-3
formula: C30H54O3S.1/2Ca
inchikey: ZIYNVRBTHVVBLV-UHFFFAOYSA-L
norman_susdat_id: NS00092540
smiles: [Ca+2].CCCCCCCCCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-]
inchi:
InChI=1/2C30H54O3S.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-27-24-25-28-30(29)34(31,32)33;/h2*24-25,27-28H,2-23,26H2,1H3,(H,31,32,33);/q;;+2/p-2


name: Lead bis(tetracosylbenzenesulphonate)
cas: 85865-91-4
formula: C30H54O3S.1/2Pb
inchikey: JVKOUKZHFVRZDT-UHFFFAOYSA-L
norman_susdat_id: NS00092541
smiles: [Pb+4].CCCCCCCCCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-]
inchi:
InChI=1/2C30H54O3S.Pb/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-27-24-25-28-30(29)34(31,32)33;/h2*24-25,27-28H,2-23,26H2,1H3,(H,31,32,33);/q;;+4/p-2


name: Lead bis[didodecylbenzenesulphonate]
cas: 85865-92-5
formula: C30H54O3S.1/2Pb
inchikey: TWAUMPBSZDRVQL-UHFFFAOYSA-L
norman_susdat_id: NS00093213
inchi:
InChI=1/2C30H54O3S.Pb/c2*1-3-5-7-9-11-13-15-17-19-21-24-28-25-23-27-30(34(31,32)33)29(28)26-22-20-18-16-14-12-10-8-6-4-2;/h2*23,25,27H,3-22,24,26H2,1-2H3,(H,31,32,33);/q;;+4/p-2

smiles:
[Pb+4].CCCCCCCCCCCCc1cccc(c1CCCCCCCCCCCC)S(=O)(=O)[O-].CCCCCCCCCCCCc2cccc(c2CCCCCCCCCCCC)S(=O)(=O)[O-]


name: Magnesium bis(tetracosylbenzenesulphonate)
cas: 85865-93-6
formula: C30H54O3S.1/2Mg
inchikey: DVLCZMKTVXJJDP-UHFFFAOYSA-L
norman_susdat_id: NS00092542
smiles: [Mg+2].CCCCCCCCCCCCCCCCCCCCCCCCc1ccccc1S(=O)(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCc2ccccc2S(=O)(=O)[O-]
inchi:
InChI=1/2C30H54O3S.Mg/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-29-27-24-25-28-30(29)34(31,32)33;/h2*24-25,27-28H,2-23,26H2,1H3,(H,31,32,33);/q;;+2/p-2


cas: 85865-98-1
chemspiderid: 21165176
dtxsid: DTXSID90235142
formula: C30H44N2O14
inchikey: NMUQCOLGJNFPOE-UHFFFAOYSA-N
norman_susdat_id: NS00039075
pubchem_cid: 53422693
smiles: OCC(COC(=O)NCCCCCCNC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
name:
2,17-Bis(hydroxymethyl)-5,14-dioxo-2,17-bis(((1-oxoallyl)oxy)methyl)-4,15-dioxa-6,13-diazaoctadecane-1,18-diyl diacrylate

inchi:
InChI=1S/C30H44N2O14/c1-5-23(35)41-17-29(15-33,18-42-24(36)6-2)21-45-27(39)31-13-11-9-10-12-14-32-28(40)46-22-30(16-34,19-43-25(37)7-3)20-44-26(38)8-4/h5-8,33-34H,1-4,9-22H2,(H,31,39)(H,32,40)


cas: 85865-99-2
formula: C33H46N2O15
inchikey: VWRFCUDTJZUOEA-UHFFFAOYSA-N
norman_susdat_id: NS00065211
pubchem_cid: 53423380
smiles: O=C(OCC(CO)(COC(=O)C=C)COC(=O)NCCCCCCNC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)C=C
name:
2-(hydroxymethyl)-5,14-dioxo-2,17,17-tris[[(1-oxoallyl)oxy]methyl]-4,15-dioxa-6,13-diazaoctadecane-1,18-diyl diacrylate

inchi:
InChI=1/C33H46N2O15/c1-6-25(37)44-18-32(17-36,19-45-26(38)7-2)20-49-30(42)34-15-13-11-12-14-16-35-31(43)50-24-33(21-46-27(39)8-3,22-47-28(40)9-4)23-48-29(41)10-5/h6-10,36H,1-5,11-24H2,(H,34,42)(H,35,43)


cas: 85866-00-8
chemspiderid: 21165178
dtxsid: DTXSID50235143
formula: C31H46N2O13
inchikey: RHXQAXOEKCKWIR-UHFFFAOYSA-N
norman_susdat_id: NS00039076
pubchem_cid: 53422758
smiles: CCC(COC(=O)NCCCCCCNC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
name:
2,2-Bis(((1-oxoallyl)oxy)methyl)butyl 13-(hydroxymethyl)-10,16-dioxo-13-(((1-oxoallyl)oxy)methyl)-11,15-dioxa-2,9-diazaoctadec-17-enoate

inchi:
InChI=1S/C31H46N2O13/c1-6-24(35)41-18-30(10-5,19-42-25(36)7-2)20-45-28(39)32-15-13-11-12-14-16-33-29(40)46-23-31(17-34,21-43-26(37)8-3)22-44-27(38)9-4/h6-9,34H,1-4,10-23H2,5H3,(H,32,39)(H,33,40)


cas: 85866-01-9
chemspiderid: 21165179
dtxsid: DTXSID10235144
formula: C34H48N2O14
inchikey: FUTNTFKKRXSZOA-UHFFFAOYSA-N
norman_susdat_id: NS00039077
pubchem_cid: 53422757
smiles: CCC(COC(=O)NCCCCCCNC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
name:
2,2-Bis(((1-oxoallyl)oxy)methyl)butyl 10,16-dioxo-13,13-bis(((1-oxoallyl)oxy)methyl)-11,15-dioxa-2,9-diazaoctadec-17-enoate

inchi:
InChI=1S/C34H48N2O14/c1-7-26(37)44-19-33(12-6,20-45-27(38)8-2)21-49-31(42)35-17-15-13-14-16-18-36-32(43)50-25-34(22-46-28(39)9-3,23-47-29(40)10-4)24-48-30(41)11-5/h7-11H,1-5,12-25H2,6H3,(H,35,42)(H,36,43)


name: Sodium 5-[[(3-amino-4-hydroxyphenyl)sulphonyl]amino]naphthalene-2-sulphonate
cas: 85895-79-0
dtxsid: DTXSID80235196
formula: C16H14N2O6S2
inchikey: TUIYHKKMACFQNY-UHFFFAOYSA-M
norman_susdat_id: NS00065579
pubchem_cid: 3021004
smiles: [Na+].O=S(=O)([O-])C1=CC=C2C(C=CC=C2NS(=O)(=O)C3=CC=C(O)C(N)=C3)=C1
inchi:
InChI=1/C16H14N2O6S2.Na/c17-14-9-11(5-7-16(14)19)25(20,21)18-15-3-1-2-10-8-12(26(22,23)24)4-6-13(10)15;/h1-9,18-19H,17H2,(H,22,23,24);/q;+1/p-1


cas: 85895-84-7
dtxsid: DTXSID201006463
formula: C30H28ClN3O13S4
inchikey: AZIQXBPCSNEHHL-UHFFFAOYSA-K
norman_susdat_id: NS00065596
pubchem_cid: NA
name:
Trisodium 5-[[[6-[(2-chloroethyl)sulphonyl]bicyclo[2.2.1]hept-2-yl]carbonyl]amino]-4-hydroxy-3-[(1-sulphonato-2-naphthyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C30H28ClN3O13S4.3Na/c31-7-8-48(37,38)24-11-15-9-20(24)21(10-15)30(36)32-23-14-18(49(39,40)41)12-17-13-25(50(42,43)44)27(28(35)26(17)23)34-33-22-6-5-16-3-1-2-4-19(16)29(22)51(45,46)47;;;/h1-6,12-15,20-21,24,35H,7-11H2,(H,32,36)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC(=CC2=CC(=C(N=NC=3C=CC=4C=CC=CC4C3S(=O)(=O)[O-])C(O)=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])C5CC6CC5C(C6)S(=O)(=O)CCCl


cas: 85895-85-8
dtxsid: DTXSID901006464
formula: C34H26N8O8S2
inchikey: QGKDQABXTBQRNA-UHFFFAOYSA-L
norman_susdat_id: NS00065119
pubchem_cid: NA
name:
Disodium 4-amino-3-[[4'-[(2-amino-4-hydroxyphenyl)azo][1,1'-biphenyl]-4-yl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C34H26N8O8S2.2Na/c35-26-18-25(43)14-15-27(26)40-37-23-10-6-19(7-11-23)20-8-12-24(13-9-20)39-41-32-28(51(45,46)47)16-21-17-29(52(48,49)50)33(34(44)30(21)31(32)36)42-38-22-4-2-1-3-5-22;;/h1-18,43-44H,35-36H2,(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(C=C3)C=4C=CC(N=NC5=CC=C(O)C=C5N)=CC4)C(N)=C2C(O)=C1N=NC=6C=CC=CC6)S(=O)(=O)[O-]


name: 2-(2-aminophenyl)benzimidazo[2,1-a]anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8(2H)-trione
cas: 85895-86-9
dtxsid: DTXSID601006465
formula: C36H18N4O3
inchikey: CHQJBGGCXNBWQK-UHFFFAOYSA-N
norman_susdat_id: NS00066351
pubchem_cid: 57354770
smiles: O=C1C=2C=CC=3C4=CC=C5C(=O)N6C(=NC=7C=CC=CC76)C=8C=CC(C9=CC=C(C(=O)N1C=%10C=CC=CC%10N)C2C39)=C4C58
inchi:
InChI=1/C36H18N4O3/c37-25-5-1-3-7-27(25)40-35(42)23-15-11-19-17-9-13-21-31-22(34(41)39-28-8-4-2-6-26(28)38-33(21)39)14-10-18(29(17)31)20-12-16-24(36(40)43)32(23)30(19)20/h1-16H,37H2


name: Sodium 1-(2-chloroanilino)-9-hydroxy-2-methylnaphth[1,2-d]imidazole-7-sulphonate
cas: 85895-87-0
formula: C18H14ClN3O4S.Na
inchikey: LKUASWNIWNQMLR-UHFFFAOYSA-M
norman_susdat_id: NS00092771
smiles: [Na+].Cc1nc2ccc3cc(cc(O)c3c2n1Nc4ccccc4Cl)S(=O)(=O)[O-]
inchi:
InChI=1/C18H14ClN3O4S.Na/c1-10-20-15-7-6-11-8-12(27(24,25)26)9-16(23)17(11)18(15)22(10)21-14-5-3-2-4-13(14)19;/h2-9,21,23H,1H3,(H,24,25,26);/q;+1/p-1


name: 3-[(4-amino-2,5-dimethoxyphenyl)azo]-4-hydroxybenzenesulphonic acid
cas: 85895-89-2
formula: C14H15N3O6S
inchikey: VASPCVYVNSSNGS-UHFFFAOYSA-N
norman_susdat_id: NS00065597
pubchem_cid: 3021010
smiles: O=S(=O)(O)C1=CC=C(O)C(N=NC=2C=C(OC)C(N)=CC2OC)=C1
inchi:
InChI=1/C14H15N3O6S/c1-22-13-7-11(14(23-2)6-9(13)15)17-16-10-5-8(24(19,20)21)3-4-12(10)18/h3-7,18H,15H2,1-2H3,(H,19,20,21)


name: Sodium 3-[(4-amino-2,5-dimethoxyphenyl)azo]-4-hydroxybenzenesulphonate
cas: 85895-90-5
formula: C14H15N3O6S.Na
inchikey: QSZCNPYUGYQZHA-UHFFFAOYSA-M
norman_susdat_id: NS00093197
smiles: [Na+].COc2cc(N)c(cc2N=Nc1cc(ccc1O)S([O-])(=O)=O)OC
inchi:
InChI=1/C14H15N3O6S.Na/c1-22-13-7-11(14(23-2)6-9(13)15)17-16-10-5-8(24(19,20)21)3-4-12(10)18;/h3-7,18H,15H2,1-2H3,(H,19,20,21);/q;+1/p-1


name: 3-[(4-amino-2-methoxyphenyl)azo]-4-hydroxybenzenesulphonic acid
cas: 85895-92-7
formula: C13H13N3O5S
inchikey: LTGCMYGQTCMNDC-UHFFFAOYSA-N
norman_susdat_id: NS00065165
pubchem_cid: 3021012
smiles: O=S(=O)(O)C1=CC=C(O)C(N=NC2=CC=C(N)C=C2OC)=C1
inchi:
InChI=1/C13H13N3O5S/c1-21-13-6-8(14)2-4-10(13)15-16-11-7-9(22(18,19)20)3-5-12(11)17/h2-7,17H,14H2,1H3,(H,18,19,20)


name: Sodium 3-[(4-amino-2-methoxyphenyl)azo]-4-hydroxybenzenesulphonate
cas: 85895-93-8
formula: C13H13N3O5S.Na
inchikey: QRZHRWVYKXWVDA-UHFFFAOYSA-M
norman_susdat_id: NS00093198
smiles: [Na+].COc2cc(N)ccc2N=Nc1cc(ccc1O)S([O-])(=O)=O
inchi:
InChI=1/C13H13N3O5S.Na/c1-21-13-6-8(14)2-4-10(13)15-16-11-7-9(22(18,19)20)3-5-12(11)17;/h2-7,17H,14H2,1H3,(H,18,19,20);/q;+1/p-1


name: 6-amino-5-[[4-(2-phenylvinyl)-3-sulphophenyl]azo]naphthalene-2-sulphonic acid
cas: 85895-94-9
formula: C24H19N3O6S2
inchikey: HQZBUELDFBBVSZ-RAHMGYBWSA-N
norman_susdat_id: NS00065598
pubchem_cid: 6366110
smiles: O=S(=O)(O)C1=CC=C2C(C=CC(N)=C2N=NC3=CC=C(C=CC=4C=CC=CC4)C(=C3)S(=O)(=O)O)=C1
inchi:
InChI=1/C24H19N3O6S2/c25-22-13-9-18-14-20(34(28,29)30)11-12-21(18)24(22)27-26-19-10-8-17(23(15-19)35(31,32)33)7-6-16-4-2-1-3-5-16/h1-15H,25H2,(H,28,29,30)(H,31,32,33)


name: Disodium 6-amino-5-[[4-(2-phenylvinyl)-3-sulphonatophenyl]azo]naphthalene-2-sulphonate
cas: 85895-95-0
formula: C24H19N3O6S2.2Na
inchikey: NKGTZKMQFBLVBM-DEOAOTEFSA-L
norman_susdat_id: NS00092772
smiles: [Na+].[Na+].[O-]S(=O)(=O)c2cc(ccc2/C=C/c1ccccc1)N=Nc3c4ccc(cc4ccc3N)S([O-])(=O)=O
inchi:
InChI=1/C24H19N3O6S2.2Na/c25-22-13-9-18-14-20(34(28,29)30)11-12-21(18)24(22)27-26-19-10-8-17(23(15-19)35(31,32)33)7-6-16-4-2-1-3-5-16;;/h1-15H,25H2,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2


cas: 85895-96-1
formula: C24H21ClN6O6S
inchikey: OFGPRXSOMRKYQS-UHFFFAOYSA-N
norman_susdat_id: NS00092773
smiles: Nc1ccc(cc1C)C(=O)Nc2ccc(cc2)N4/N=C(/C)C(N=Nc3cc(cc(Cl)c3O)S(O)(=O)=O)C4=O
name:
3-[[1-[4-[(4-amino-3-methylbenzoyl)amino]phenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-chloro-4-hydroxybenzenesulphonic acid

inchi:
InChI=1/C24H21ClN6O6S/c1-12-9-14(3-8-19(12)26)23(33)27-15-4-6-16(7-5-15)31-24(34)21(13(2)30-31)29-28-20-11-17(38(35,36)37)10-18(25)22(20)32/h3-11,21,32H,26H2,1-2H3,(H,27,33)(H,35,36,37)


cas: 85895-97-2
formula: C24H21ClN6O6S
inchikey: UXJFTTHZBKGMGU-UHFFFAOYSA-M
norman_susdat_id: NS00065120
pubchem_cid: 3021017
smiles: [Na+].O=C(NC1=CC=C(C=C1)N2N=C(C)C(N=NC3=CC(=CC(Cl)=C3O)S(=O)(=O)[O-])C2=O)C4=CC=C(N)C(=C4)C
name:
Sodium 3-[[1-[4-(4-amino-3-methylbenzamido)phenyl]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-5-chloro-4-hydroxybenzenesulphonate

inchi:
InChI=1/C24H21ClN6O6S.Na/c1-12-9-14(3-8-19(12)26)23(33)27-15-4-6-16(7-5-15)31-24(34)21(13(2)30-31)29-28-20-11-17(38(35,36)37)10-18(25)22(20)32;/h3-11,21,32H,26H2,1-2H3,(H,27,33)(H,35,36,37);/q;+1/p-1


cas: 85895-98-3
formula: C27H20N4O14S4.4Na
inchikey: KRVFYULTUZOIEZ-UHFFFAOYSA-J
norman_susdat_id: NS00092509
name:
Tetrasodium 2-[[8-[(4-aminobenzoyl)amino]-1-hydroxy-3,6-disulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate

inchi:
InChI=1/C27H20N4O14S4.4Na/c28-15-6-4-13(5-7-15)27(33)29-20-12-16(46(34,35)36)10-14-11-22(48(40,41)42)24(25(32)23(14)20)31-30-19-9-8-17-18(26(19)49(43,44)45)2-1-3-21(17)47(37,38)39;;;;/h1-12,32H,28H2,(H,29,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].Nc1ccc(cc1)C(=O)Nc4cc(cc5cc(c(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O


name: 2-Hydroxynaphthalene-1,4-disulphonic acid
cas: 85895-99-4
chemspiderid: 2287757
dtxsid: DTXSID90235203
formula: C10H8O7S2
inchikey: BCIGEHNLIIQCBS-UHFFFAOYSA-N
norman_susdat_id: NS00039085
pubchem_cid: 3021019
smiles: Oc1c(c2c(cccc2)c(c1)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C10H8O7S2/c11-8-5-9(18(12,13)14)6-3-1-2-4-7(6)10(8)19(15,16)17/h1-5,11H,(H,12,13,14)(H,15,16,17)


name: Disodium 2-hydroxynaphthalene-1,4-disulphonate
cas: 85896-00-0
formula: C10H8O7S2.2Na
inchikey: PGTKYNUOCLUNNV-UHFFFAOYSA-L
norman_susdat_id: NS00092525
smiles: [Na+].[Na+].Oc1cc(c2ccccc2c1S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H8O7S2.2Na/c11-8-5-9(18(12,13)14)6-3-1-2-4-7(6)10(8)19(15,16)17;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2


name: 5-Hydroxy-4-(((3-nitrophenoxy)acetyl)amino)naphthalene-1,7-disulphonic acid
cas: 85896-01-1
chemspiderid: 2287758
dtxsid: DTXSID10235205
formula: C18H14N2O11S2
inchikey: HGGGKLCVJHVTTC-UHFFFAOYSA-N
norman_susdat_id: NS00039086
pubchem_cid: 3021022
smiles: Oc1cc(cc2c1c(NC(=O)COc1cc(ccc1)[N+](=O)[O-])ccc2S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C18H14N2O11S2/c21-15-8-12(32(25,26)27)7-13-16(33(28,29)30)5-4-14(18(13)15)19-17(22)9-31-11-3-1-2-10(6-11)20(23)24/h1-8,21H,9H2,(H,19,22)(H,25,26,27)(H,28,29,30)


name: Disodium 5-hydroxy-4-[[(3-nitrophenoxy)acetyl]amino]naphthalene-1,7-disulphonate
cas: 85896-02-2
formula: C18H14N2O11S2.2Na
inchikey: IKSPXCJNRVJVQE-UHFFFAOYSA-L
norman_susdat_id: NS00092775
smiles: [Na+].[Na+].Oc1cc(cc2c(ccc(NC(=O)COc3cccc(c3)[N+](=O)[O-])c12)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C18H14N2O11S2.2Na/c21-15-8-12(32(25,26)27)7-13-16(33(28,29)30)5-4-14(18(13)15)19-17(22)9-31-11-3-1-2-10(6-11)20(23)24;;/h1-8,21H,9H2,(H,19,22)(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2


cas: 85896-04-4
formula: C30H27N5O9S3.2Na
inchikey: ANCXEFHFJOBSOB-UHFFFAOYSA-L
norman_susdat_id: NS00092789
name:
Disodium 2-[4-[[4-[[1-ethyl-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-5-(sulphonatomethyl)-3-pyridyl]azo]benzoyl]amino]phenyl]-6-methylbenzothiazole-7-sulphonate

inchi:
InChI=1/C30H27N5O9S3.2Na/c1-4-35-29(37)22(15-46(39,40)41)17(3)24(30(35)38)34-33-21-12-6-18(7-13-21)27(36)31-20-10-8-19(9-11-20)28-32-23-14-5-16(2)26(25(23)45-28)47(42,43)44;;/h5-14,38H,4,15H2,1-3H3,(H,31,36)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2

smiles:
[Na+].[Na+].[O-]S(=O)(=O)C/C5=C(\C)/C(/N=Nc1ccc(cc1)C(=O)Nc2ccc(cc2)c3nc4ccc(C)c(c4s3)S([O-])(=O)=O)=C(/O)N(CC)C5=O


name: Sodium (R)-a-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate
cas: 85896-05-5
dtxsid: DTXSID301006466
formula: C14H19NO4
inchikey: JGPJVJHNIHGNNG-BTQNPOSSSA-M
norman_susdat_id: NS00065141
pubchem_cid: NA
smiles: [Na+].O=C(OCC)C=C(NC(C(=O)[O-])C1=CCC=CC1)C
inchi:
InChI=1/C14H19NO4.Na/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-5,8-9,13,15H,3,6-7H2,1-2H3,(H,17,18);/q;+1/p-1


name: Potassium (R)-a-[(3-ethoxy-1-methyl-3-oxo-1-propenyl)amino]cyclohexa-1,4-diene-1-acetate
cas: 85896-06-6
formula: C14H19NO4.K
inchikey: QXKDAXOBTDUKAB-BTQNPOSSSA-M
norman_susdat_id: NS00092790
smiles: [K+].CCOC(=O)C=C(C)N[C@@H](C([O-])=O)C=1C\C=C/CC=1
inchi:
InChI=1/C14H19NO4.K/c1-3-19-12(16)9-10(2)15-13(14(17)18)11-7-5-4-6-8-11;/h4-5,8-9,13,15H,3,6-7H2,1-2H3,(H,17,18);/q;+1/p-1


name: N-(2-Ethoxy-4-nitrophenyl)dibenzylamine
cas: 85896-09-9
chemspiderid: 2287761
dtxsid: DTXSID60235210
formula: C22H22N2O3
inchikey: KUUVJVCDGHFMMI-UHFFFAOYSA-N
norman_susdat_id: NS00039090
pubchem_cid: 3021031
smiles: CCOc1c(ccc(c1)[N+](=O)[O-])N(Cc1ccccc1)Cc1ccccc1
inchi:
InChI=1S/C22H22N2O3/c1-2-27-22-15-20(24(25)26)13-14-21(22)23(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-15H,2,16-17H2,1H3


name: 4-Dibenzylamino-3-ethoxyaniline
cas: 85896-10-2
chemspiderid: 2287762
dtxsid: DTXSID20235211
formula: C22H24N2O1
inchikey: AGKXGFQHIDJYGP-UHFFFAOYSA-N
norman_susdat_id: NS00039091
pubchem_cid: 3021032
smiles: CCOc1c(ccc(N)c1)N(Cc1ccccc1)Cc1ccccc1
inchi:
InChI=1S/C22H24N2O/c1-2-25-22-15-20(23)13-14-21(22)24(16-18-9-5-3-6-10-18)17-19-11-7-4-8-12-19/h3-15H,2,16-17,23H2,1H3


name: Ethyltris(2-hydroxypropyl)ammonium ethyl sulphate
cas: 85896-17-9
dtxsid: DTXSID701006468
formula: C11H26NO3
inchikey: GWKCOEMKRSBYAA-UHFFFAOYSA-M
norman_susdat_id: NS00065142
pubchem_cid: 3021035
smiles: O=S(=O)([O-])OCC.OC(C)C[N+](CC)(CC(O)C)CC(O)C
inchi:
InChI=1/C11H26NO3.C2H6O4S/c1-5-12(6-9(2)13,7-10(3)14)8-11(4)15;1-2-6-7(3,4)5/h9-11,13-15H,5-8H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: Bis(2,3-dihydroxypropyl)dodecylammonium perchlorate
cas: 85896-19-1
formula: C18H39NO4.ClHO4
inchikey: RQEXDXHUPQKWEM-UHFFFAOYSA-N
norman_susdat_id: NS00092791
smiles: CCCCCCCCCCCC[NH+](CC(O)CO)CC(O)CO.[O-]Cl(=O)(=O)=O
inchi:
InChI=1/C18H39NO4.ClHO4/c1-2-3-4-5-6-7-8-9-10-11-12-19(13-17(22)15-20)14-18(23)16-21;2-1(3,4)5/h17-18,20-23H,2-16H2,1H3;(H,2,3,4,5)


name: (2,3-dihydroxypropyl)(2-hydroxydodecyl)dimethylammonium toluene-p-sulphonate
cas: 85896-21-5
dtxsid: DTXSID401006469
formula: C17H38NO3
inchikey: ASKSZCVHWVEEHR-UHFFFAOYSA-M
norman_susdat_id: NS00065166
pubchem_cid: 56842900
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.OCC(O)C[N+](C)(C)CC(O)CCCCCCCCCC
inchi:
InChI=1/C17H38NO3.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-16(20)13-18(2,3)14-17(21)15-19;1-6-2-4-7(5-3-6)11(8,9)10/h16-17,19-21H,4-15H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: (2,3-dihydroxypropyl)(2-hydroxyoctadecyl)dimethylammonium toluene-p-sulphonate
cas: 85896-23-7
dtxsid: DTXSID701006470
formula: C23H50NO3
inchikey: VXADLFUEJCKPSE-UHFFFAOYSA-M
norman_susdat_id: NS00065167
pubchem_cid: 56842901
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.OCC(O)C[N+](C)(C)CC(O)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C23H50NO3.C7H8O3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(26)19-24(2,3)20-23(27)21-25;1-6-2-4-7(5-3-6)11(8,9)10/h22-23,25-27H,4-21H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: 6-isopropoxy-4,6-bis(oxiranylmethoxy)-1,3,5-triazine
cas: 85896-24-8
dtxsid: DTXSID401006471
formula: C12H19N3O5
inchikey: WSJZHEFBLDADTG-UHFFFAOYSA-N
norman_susdat_id: NS00065168
pubchem_cid: 53435954
smiles: N1=CNC(N=C1OCC2OC2)(OCC3OC3)OC(C)C
inchi:
InChI=1/C12H19N3O5/c1-8(2)20-12(19-6-10-4-17-10)14-7-13-11(15-12)18-5-9-3-16-9/h7-10H,3-6H2,1-2H3,(H,13,14,15)


name: 2,2'-((4,6-Bis(allyloxy)-1,3,5-triazin-2-yl)imino)bisethanol
cas: 85896-25-9
chemspiderid: 21165204
dtxsid: DTXSID40235218
formula: C13H20N4O4
inchikey: YAQKVHDUVGFABU-UHFFFAOYSA-N
norman_susdat_id: NS00039097
pubchem_cid: 53422711
smiles: OCCN(CCO)c1nc(OCC=C)nc(OCC=C)n1
inchi:
InChI=1S/C13H20N4O4/c1-3-9-20-12-14-11(17(5-7-18)6-8-19)15-13(16-12)21-10-4-2/h3-4,18-19H,1-2,5-10H2


name: 4,6-diallyloxy-2-decyloxy-1,3,5-triazine
cas: 85896-26-0
dtxsid: DTXSID00235219
formula: C19H31N3O3
inchikey: SPKLHDQJUGTSTI-UHFFFAOYSA-N
norman_susdat_id: NS00065143
pubchem_cid: 16205645
smiles: N=1C(=NC(=NC1OCC=C)OCCCCCCCCCC)OCC=C
inchi:
InChI=1/C19H31N3O3/c1-4-7-8-9-10-11-12-13-16-25-19-21-17(23-14-5-2)20-18(22-19)24-15-6-3/h5-6H,2-4,7-16H2,1H3


name: p,p',p''-(1,3,5-Triazine-2,4,6-triyltriimino)trisphenol
cas: 85896-27-1
chemspiderid: 8084723
dtxsid: DTXSID10235220
formula: C21H18N6O3
inchikey: JGMXHTPPZYBREQ-UHFFFAOYSA-N
norman_susdat_id: NS00039098
pubchem_cid: 9909071
smiles: Oc1ccc(Nc2nc(Nc3ccc(O)cc3)nc(Nc3ccc(O)cc3)n2)cc1
inchi:
InChI=1S/C21H18N6O3/c28-16-7-1-13(2-8-16)22-19-25-20(23-14-3-9-17(29)10-4-14)27-21(26-19)24-15-5-11-18(30)12-6-15/h1-12,28-30H,(H3,22,23,24,25,26,27)


name: 4,6-di(allyloxy)-2-(4-nonylphenoxy)-1,3,5-triazine
cas: 85896-28-2
dtxsid: DTXSID70235221
formula: C24H33N3O3
inchikey: MDHFWELCWRCKNY-UHFFFAOYSA-N
norman_susdat_id: NS00065144
pubchem_cid: 16205646
smiles: N=1C(=NC(=NC1OCC=C)OCC=C)OC2=CC=C(C=C2)CCCCCCCCC
inchi:
InChI=1/C24H33N3O3/c1-4-7-8-9-10-11-12-13-20-14-16-21(17-15-20)30-24-26-22(28-18-5-2)25-23(27-24)29-19-6-3/h5-6,14-17H,2-4,7-13,18-19H2,1H3


name: Cefaloram
cas: 859-07-4
chemspiderid: 62165
dtxsid: DTXSID9046106
formula: C18H18N2O6S1
inchikey: GOFCPYKUMJBHBH-RHSMWYFYSA-N
norman_susdat_id: NS00011582
pubchem_cid: 68940
smiles: CC(=O)OCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)Cc3ccccc3)SC1)C(=O)O
inchi:
InChI=1S/C18H18N2O6S/c1-10(21)26-8-12-9-27-17-14(16(23)20(17)15(12)18(24)25)19-13(22)7-11-5-3-2-4-6-11/h2-6,14,17H,7-9H2,1H3,(H,19,22)(H,24,25)/t14-,17-/m1/s1


name: Lincomycin hydrochloride
cas: 859-18-7
dtxsid: DTXSID7047803
formula: C18H35ClN2O6S
inchikey: POUMFISTNHIPTI-BOMBIWCESA-N
norman_susdat_id: NS00076397
smiles: Cl.CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@@H](C)O)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O
inchi:
InChI=1S/C18H34N2O6S.ClH/c1-5-6-10-7-11(20(3)8-10)17(25)19-12(9(2)21)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,21-24H,5-8H2,1-4H3,(H,19,25);1H/t9-,10-,11+,12-,13+,14-,15-,16-,18-;/m1./s1


name: 2-(triphenylphosphoranylidene)acetophenone
cas: 859-65-4
dtxsid: DTXSID90235228
formula: C26H21OP
inchikey: MZRSAJZDYIISJW-UHFFFAOYSA-N
norman_susdat_id: NS00042966
pubchem_cid: 70073
smiles: O=C(C=P(C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C26H21OP/c27-26(22-13-5-1-6-14-22)21-28(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H


name: p,p',p''-(1,3,5-Triazine-2,4,6-triyltris(oxy))triphenol
cas: 85909-34-8
chemspiderid: 14035168
dtxsid: DTXSID20235236
formula: C21H15N3O6
inchikey: RSWDPDMLJAHCHI-UHFFFAOYSA-N
norman_susdat_id: NS00039101
pubchem_cid: 22910836
smiles: Oc1ccc(Oc2nc(Oc3ccc(O)cc3)nc(Oc3ccc(O)cc3)n2)cc1
inchi:
InChI=1S/C21H15N3O6/c25-13-1-7-16(8-2-13)28-19-22-20(29-17-9-3-14(26)4-10-17)24-21(23-19)30-18-11-5-15(27)6-12-18/h1-12,25-27H


name: 3-[[(2,3-dihydro-3-oxo-1H-indazol-6-yl)amino]carbonyl]nonadecan-1-oic acid
cas: 85909-37-1
dtxsid: DTXSID201006499
formula: C27H43N3O4
inchikey: UTAKXHOICGSYCA-UHFFFAOYSA-N
norman_susdat_id: NS00065146
pubchem_cid: 3021041
smiles: O=C(O)CC(C(=O)NC1=CC=C2C(=O)NNC2=C1)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C27H43N3O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(19-25(31)32)26(33)28-22-17-18-23-24(20-22)29-30-27(23)34/h17-18,20-21H,2-16,19H2,1H3,(H,28,33)(H,31,32)(H2,29,30,34)


name: Sodium 2-ethylhexyl 2-hydroxyethyl phosphate
cas: 85909-39-3
dtxsid: DTXSID001006500
formula: C10H23O5P
inchikey: MFOCXXTYQVKVBP-UHFFFAOYSA-M
norman_susdat_id: NS00065610
pubchem_cid: 3021044
smiles: [Na+].O=P([O-])(OCCO)OCC(CC)CCCC
inchi:
InChI=1/C10H23O5P.Na/c1-3-5-6-10(4-2)9-15-16(12,13)14-8-7-11;/h10-11H,3-9H2,1-2H3,(H,12,13);/q;+1/p-1


name: Benzyldodecyldimethylammonium thiocyanate
cas: 85909-51-9
formula: C21H38N.CNS
inchikey: FYNVMNJSYWEFFH-UHFFFAOYSA-M
norman_susdat_id: NS00092793
smiles: CCCCCCCCCCCC[N+](C)(C)Cc1ccccc1.[S-]C#N
inchi:
InChI=1/C21H38N.CHNS/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,3)20-21-17-14-13-15-18-21;2-1-3/h13-15,17-18H,4-12,16,19-20H2,1-3H3;3H/q+1;/p-1


name: (2-hydroxyethyl)methylbis[3-[(1-oxooctadecyl)amino]propyl]ammonium chloride
cas: 85909-57-5
formula: C45H92N3O3
inchikey: ZADVJHGWHFTKAR-UHFFFAOYSA-N
norman_susdat_id: NS00066050
pubchem_cid: 44150361
smiles: [Cl-].O=C(NCCC[N+](C)(CCO)CCCNC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C45H91N3O3.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-36-44(50)46-38-34-40-48(3,42-43-49)41-35-39-47-45(51)37-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h49H,4-43H2,1-3H3,(H-,46,47,50,51);1H


name: Sodium 2-[(2-hydroxyethyl)[2-(sulphonatooxy)ethyl]sulphonio]ethyl sulphate
cas: 85909-59-7
dtxsid: DTXSID40235238
formula: C6H15O9S3
inchikey: DWCNDGVFMRPXJK-UHFFFAOYSA-M
norman_susdat_id: NS00065292
pubchem_cid: 3021052
smiles: [Na+].O=S(=O)([O-])OCC[S+](CCO)CCOS(=O)(=O)[O-]
inchi:
InChI=1/C6H14O9S3.Na/c7-1-4-16(5-2-14-17(8,9)10)6-3-15-18(11,12)13;/h7H,1-6H2,(H-,8,9,10,11,12,13);/q;+1/p-1


name: (9S)-10,11-dihydro-9-hydroxy-6'-methoxycinchonanium hydrogen sulphate
cas: 85909-60-0
formula: C20H26N2O2.H2O4S
inchikey: UILYWSTXWSWANK-VJAUXQICSA-M
norman_susdat_id: NS00092378
smiles: CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C20H26N2O2.H2O4S/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;(H2,1,2,3,4)/p-1


name: Bis[(9S)-10,11-dihydro-9-hydroxy-6'-methoxycinchonanium] sulphate
cas: 85909-61-1
formula: C20H26N2O2.1/2H2O4S
inchikey: XQPSXUWILZCWMQ-VCSAERELSA-N
norman_susdat_id: NS00093059
inchi:
InChI=1/2C20H26N2O2.H2O4S/c2*1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-5(2,3)4/h2*4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;(H2,1,2,3,4)

smiles:
CC[C@H]1C[N@@H+]2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34.CC[C@H]5C[N@@H+]6CC[C@H]5C[C@@H]6[C@@H](O)c7ccnc8ccc(OC)cc78.[O-]S(=O)(=O)[O-]


name: Rabacfosadine
cas: 859209-74-8
dtxsid: DTXSID10235245
formula: C21H35N8O6P
inchikey: ANSPEDQTHURSFQ-KBPBESRZSA-N
norman_susdat_id: NS00072124
pubchem_cid: 16047979
smiles: CCOC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(NC3CC3)nc(N)nc21)N[C@@H](C)C(=O)OCC
inchi:
InChI=1S/C21H35N8O6P/c1-5-34-19(30)13(3)27-36(32,28-14(4)20(31)35-6-2)12-33-10-9-29-11-23-16-17(24-15-7-8-15)25-21(22)26-18(16)29/h11,13-15H,5-10,12H2,1-4H3,(H2,27,28,32)(H3,22,24,25,26)/t13-,14-/m0/s1


name: Bafetinib
cas: 859212-16-1
dtxsid: DTXSID001006512
formula: C30H31F3N8O
inchikey: ZGBAJMQHJDFTQJ-DEOSSOPVSA-N
norman_susdat_id: NS00071676
pubchem_cid: 11387605
smiles: Cc1ccc(NC(=O)c2ccc(CN3CC[C@H](N(C)C)C3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cncnc2)n1
inchi:
InChI=1S/C30H31F3N8O/c1-19-4-7-23(13-27(19)39-29-36-10-8-26(38-29)22-14-34-18-35-15-22)37-28(42)20-5-6-21(25(12-20)30(31,32)33)16-41-11-9-24(17-41)40(2)3/h4-8,10,12-15,18,24H,9,11,16-17H2,1-3H3,(H,37,42)(H,36,38,39)/t24-/m0/s1


name: Dodecyl-2-naphthol
cas: 85927-01-1
dtxsid: DTXSID901006519
formula: C22H32O
inchikey: YBIWWCWLVWMWHG-UHFFFAOYSA-N
norman_susdat_id: NS00066068
pubchem_cid: 3021055
smiles: OC=1C=CC=2C=CC=CC2C1CCCCCCCCCCCC
inchi:
InChI=1/C22H32O/c1-2-3-4-5-6-7-8-9-10-11-16-21-20-15-13-12-14-19(20)17-18-22(21)23/h12-15,17-18,23H,2-11,16H2,1H3


cas: 85938-40-5
formula: C30H52O8Sn
inchikey: PNULSRPGOXFEHF-DERJAXIWSA-L
norman_susdat_id: NS00066069
pubchem_cid: 53436718
smiles: O=C(OC(C)C)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OC(C)C)(CCCCCCCC)CCCCCCCC
name:
Isopropyl (Z,Z)-2-methyl-9,9-dioctyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate

inchi:
InChI=1/2C8H17.2C7H10O4.Sn/c2*1-3-5-7-8-6-4-2;2*1-5(2)11-7(10)4-3-6(8)9;/h2*1,3-8H2,2H3;2*3-5H,1-2H3,(H,8,9);/q;;;;+2/p-2/rC30H52O8Sn/c1-7-9-11-13-15-17-23-39(24-18-16-14-12-10-8-2,37-29(33)21-19-27(31)35-25(3)4)38-30(34)22-20-28(32)36-26(5)6/h19-22,25-26H,7-18,23-24H2,1-6H3


name: Bis(myristoyloxy)dioctylstannane
cas: 85938-41-6
dtxsid: DTXSID00235254
formula: C44H88O4Sn
inchikey: BLHUPIVWFSPGQO-UHFFFAOYSA-L
norman_susdat_id: NS00064834
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)CCCCCCCCCCCCC)(CCCCCCCC)CCCCCCCC)CCCCCCCCCCCCC
inchi:
InChI=1/2C14H28O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;2*1-3-5-7-8-6-4-2;/h2*2-13H2,1H3,(H,15,16);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC44H88O4Sn/c1-5-9-13-17-21-23-25-27-29-31-35-39-43(45)47-49(41-37-33-19-15-11-7-3,42-38-34-20-16-12-8-4)48-44(46)40-36-32-30-28-26-24-22-18-14-10-6-2/h5-42H2,1-4H3


name: Dioctylbis(palmitoyloxy)stannane
cas: 85938-42-7
dtxsid: DTXSID60235255
formula: C48H96O4Sn
inchikey: HUYAMDVOPBKCJF-UHFFFAOYSA-L
norman_susdat_id: NS00065293
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)CCCCCCCCCCCCCCC)(CCCCCCCC)CCCCCCCC)CCCCCCCCCCCCCCC
inchi:
InChI=1/2C16H32O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;2*1-3-5-7-8-6-4-2;/h2*2-15H2,1H3,(H,17,18);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC48H96O4Sn/c1-5-9-13-17-21-23-25-27-29-31-33-35-39-43-47(49)51-53(45-41-37-19-15-11-7-3,46-42-38-20-16-12-8-4)52-48(50)44-40-36-34-32-30-28-26-24-22-18-14-10-6-2/h5-46H2,1-4H3


name: Bis(nonanoyloxy)dioctylstannane
cas: 85938-43-8
dtxsid: DTXSID20235256
formula: C34H68O4Sn
inchikey: CNOYGLBMMNHEMH-UHFFFAOYSA-L
norman_susdat_id: NS00064835
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)CCCCCCCC)(CCCCCCCC)CCCCCCCC)CCCCCCCC
inchi:
InChI=1/2C9H18O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9(10)11;2*1-3-5-7-8-6-4-2;/h2*2-8H2,1H3,(H,10,11);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC34H68O4Sn/c1-5-9-13-17-21-25-29-33(35)37-39(31-27-23-19-15-11-7-3,32-28-24-20-16-12-8-4)38-34(36)30-26-22-18-14-10-6-2/h5-32H2,1-4H3


name: (Z,Z)-1,1,3,3-tetraoctyl-1,3-bis[(1-oxooctadec-9-enyl)oxy]distannoxane
cas: 85938-46-1
formula: C68H134O5Sn2
inchikey: ISZCRZBMOAPRAY-MNHRHIJMSA-L
norman_susdat_id: NS00065294
pubchem_cid: 44147621
smiles: O=C(O[Sn](O[Sn](OC(=O)CCCCCCCC=CCCCCCCCC)(CCCCCCCC)CCCCCCCC)(CCCCCCCC)CCCCCCCC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/2C18H34O2.4C8H17.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;4*1-3-5-7-8-6-4-2;;;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);4*1,3-8H2,2H3;;;/q;;;;;;;2*+1/p-2/rC68H134O5Sn2/c1-7-13-19-25-31-33-35-37-39-41-43-45-47-49-55-61-67(69)71-74(63-57-51-27-21-15-9-3,64-58-52-28-22-16-10-4)73-75(65-59-53-29-23-17-11-5,66-60-54-30-24-18-12-6)72-68(70)62-56-50-48-46-44-42-40-38-36-34-32-26-20-14-8-2/h37-40H,7-36,41-66H2,1-6H3


name: 1,1,3,3-tetraoctyl-1,3-bis[(1-oxohexadecyl)oxy]distannoxane
cas: 85938-47-2
dtxsid: DTXSID80235257
formula: C64H130O5Sn2
inchikey: NFUQPAQTGMPBOM-UHFFFAOYSA-L
norman_susdat_id: NS00065295
pubchem_cid: 44153103
smiles: O=C(O[Sn](O[Sn](OC(=O)CCCCCCCCCCCCCCC)(CCCCCCCC)CCCCCCCC)(CCCCCCCC)CCCCCCCC)CCCCCCCCCCCCCCC
inchi:
InChI=1/2C16H32O2.4C8H17.O.2Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;4*1-3-5-7-8-6-4-2;;;/h2*2-15H2,1H3,(H,17,18);4*1,3-8H2,2H3;;;/q;;;;;;;2*+1/p-2/rC64H130O5Sn2/c1-7-13-19-25-31-33-35-37-39-41-43-45-51-57-63(65)67-70(59-53-47-27-21-15-9-3,60-54-48-28-22-16-10-4)69-71(61-55-49-29-23-17-11-5,62-56-50-30-24-18-12-6)68-64(66)58-52-46-44-42-40-38-36-34-32-26-20-14-8-2/h7-62H2,1-6H3


name: Dibutylfluorophenylstannane
cas: 85938-48-3
dtxsid: DTXSID40235258
formula: C14H23FSn
inchikey: ZHYJTYYLZUPTRY-UHFFFAOYSA-M
norman_susdat_id: NS00064761
pubchem_cid: 20836248
smiles: F[Sn](C=1C=CC=CC1)(CCCC)CCCC
inchi:
InChI=1/C6H5.2C4H9.FH.Sn/c1-2-4-6-5-3-1;2*1-3-4-2;;/h1-5H;2*1,3-4H2,2H3;1H;/q;;;;+1/p-1/rC14H23FSn/c1-3-5-12-16(15,13-6-4-2)14-10-8-7-9-11-14/h7-11H,3-6,12-13H2,1-2H3


name: Dibutylfluorohexylstannane
cas: 85938-49-4
formula: C14H31FSn
inchikey: ORILWNIQDRJWKS-UHFFFAOYSA-M
norman_susdat_id: NS00066070
pubchem_cid: 20836249
smiles: F[Sn](CCCC)(CCCC)CCCCCC
inchi:
InChI=1/C6H13.2C4H9.FH.Sn/c1-3-5-6-4-2;2*1-3-4-2;;/h1,3-6H2,2H3;2*1,3-4H2,2H3;1H;/q;;;;+1/p-1/rC14H31FSn/c1-4-7-10-11-14-16(15,12-8-5-2)13-9-6-3/h4-14H2,1-3H3


name: 2-ethylhexyl [(2-butyl-4,7-dihydro-4,7-dioxo-1,3,2-dioxastannepin-2-yl)thio]acetate
cas: 85938-50-7
formula: C18H30O6SSn
inchikey: JLWUPTVRGOLUHE-IUJXYRIYSA-K
norman_susdat_id: NS00064836
pubchem_cid: 16684536
smiles: O=C1O[Sn](OC(=O)C=C1)(SCC(=O)OCC(CC)CCCC)CCCC
inchi:
InChI=1/C10H20O2S.C4H4O4.C4H9.Sn/c1-3-5-6-9(4-2)7-12-10(11)8-13;5-3(6)1-2-4(7)8;1-3-4-2;/h9,13H,3-8H2,1-2H3;1-2H,(H,5,6)(H,7,8);1,3-4H2,2H3;/q;;;+3/p-3/rC18H30O6SSn/c1-4-7-9-15(6-3)13-22-18(21)14-25-26(12-8-5-2)23-16(19)10-11-17(20)24-26/h10-11,15H,4-9,12-14H2,1-3H3


name: Tributyl[[(p-dodecylphenyl)sulphonyl]oxy]stannane
cas: 85938-51-8
dtxsid: DTXSID00235259
formula: C30H56O3SSn
inchikey: PWFLFJXKKNUHOQ-UHFFFAOYSA-M
norman_susdat_id: NS00066071
pubchem_cid: 16684537
smiles: O=S(=O)(O[Sn](CCCC)(CCCC)CCCC)C1=CC=C(C=C1)CCCCCCCCCCCC
inchi:
InChI=1/C18H30O3S.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21;3*1-3-4-2;/h13-16H,2-12H2,1H3,(H,19,20,21);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC30H56O3SSn/c1-5-9-13-14-15-16-17-18-19-20-21-29-22-24-30(25-23-29)34(31,32)33-35(26-10-6-2,27-11-7-3)28-12-8-4/h22-25H,5-21,26-28H2,1-4H3


name: N-vinylstearamide
cas: 85938-55-2
dtxsid: DTXSID70235261
formula: C20H39NO
inchikey: DPDUMCDONQYFCT-UHFFFAOYSA-N
norman_susdat_id: NS00064837
pubchem_cid: 3021062
smiles: O=C(NC=C)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C20H39NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(22)21-4-2/h4H,2-3,5-19H2,1H3,(H,21,22)


name: N-(3-Aminopropyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctanamide
cas: 85938-56-3
chemspiderid: 2287787
dtxsid: DTXSID30235262
formula: C11H9F15N2O1
inchikey: YIQVOMZDSOSAQY-UHFFFAOYSA-N
norman_susdat_id: NS00019285
pubchem_cid: 3021063
smiles: NCCCNC(=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/C11H9F15N2O/c12-5(13,4(29)28-3-1-2-27)6(14,15)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)26/h1-3,27H2,(H,28,29)


name: Ethylhexadecyldimethylammonium 2,3,5,6-tetrachlorophenolate
cas: 85940-51-8
formula: C20H44N.C6HCl4O
inchikey: YUYCXNUQBGFXTC-UHFFFAOYSA-M
norman_susdat_id: NS00092337
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1c(Cl)c(Cl)cc(Cl)c1Cl
inchi:
InChI=1/C20H44N.C6H2Cl4O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;7-2-1-3(8)5(10)6(11)4(2)9/h5-20H2,1-4H3;1,11H/q+1;/p-1


name: Ethylhexadecyldimethylammonium 2-cyclohexylphenolate
cas: 85940-52-9
formula: C20H44N.C12H15O
inchikey: CKVOORWQQRNRIX-UHFFFAOYSA-M
norman_susdat_id: NS00092394
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1ccccc1C2CCCCC2
inchi:
InChI=1/C20H44N.C12H16O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h5-20H2,1-4H3;4-5,8-10,13H,1-3,6-7H2/q+1;/p-1


name: Ethylhexadecyldimethylammonium 2-benzyl-4-chlorophenolate
cas: 85940-53-0
formula: C20H44N.C13H10ClO
inchikey: OAOSIJMDKCWUCO-UHFFFAOYSA-M
norman_susdat_id: NS00092619
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1ccc(Cl)cc1Cc2ccccc2
inchi:
InChI=1/C20H44N.C13H11ClO/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h5-20H2,1-4H3;1-7,9,15H,8H2/q+1;/p-1


name: Ethylhexadecyldimethylammonium p-benzylphenolate
cas: 85940-55-2
formula: C20H44N.C13H11O
inchikey: ZSPSGUAUPYXZSV-UHFFFAOYSA-M
norman_susdat_id: NS00092338
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1ccc(Cc2ccccc2)cc1
inchi:
InChI=1/C20H44N.C13H12O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;14-13-8-6-12(7-9-13)10-11-4-2-1-3-5-11/h5-20H2,1-4H3;1-9,14H,10H2/q+1;/p-1


name: Ethylhexadecyldimethylammonium 2-benzylphenolate
cas: 85940-56-3
formula: C20H44N.C13H11O
inchikey: WYBUQAHPDPUUSA-UHFFFAOYSA-M
norman_susdat_id: NS00092395
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1ccccc1Cc2ccccc2
inchi:
InChI=1/C20H44N.C13H12O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;14-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h5-20H2,1-4H3;1-9,14H,10H2/q+1;/p-1


name: Ethylhexadecyldimethylammonium 4-chloro-3,5-dimethylphenolate
cas: 85940-57-4
formula: C20H44N.C8H8ClO
inchikey: ASODHYNKPDTQGL-UHFFFAOYSA-M
norman_susdat_id: NS00092339
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)CC.Cc1cc([O-])cc(C)c1Cl
inchi:
InChI=1/C20H44N.C8H9ClO/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;1-5-3-7(10)4-6(2)8(5)9/h5-20H2,1-4H3;3-4,10H,1-2H3/q+1;/p-1


name: Ethylhexadecyldimethylammonium 2-phenylphenolate
cas: 85940-58-5
formula: C20H44N.C12H9O
inchikey: ZBEKZEZPDKYHMJ-UHFFFAOYSA-M
norman_susdat_id: NS00092340
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1ccccc1c2ccccc2
inchi:
InChI=1/C20H44N.C12H10O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h5-20H2,1-4H3;1-9,13H/q+1;/p-1


name: Ethylhexadecyldimethylammonium phenolate
cas: 85940-59-6
formula: C20H44N.C6H5O
inchikey: OLVQJAVLGPPFLN-UHFFFAOYSA-M
norman_susdat_id: NS00092341
smiles: CCCCCCCCCCCCCCCC[N+](C)(C)CC.[O-]c1ccccc1
inchi:
InChI=1/C20H44N.C6H6O/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(3,4)6-2;7-6-4-2-1-3-5-6/h5-20H2,1-4H3;1-5,7H/q+1;/p-1


cas: 85940-64-3
formula: C22H27N3O13S3
inchikey: LEKJZKMNUQOOBO-UHFFFAOYSA-M
norman_susdat_id: NS00066073
pubchem_cid: 163502
name:
Ammonium sodium 5-methoxy-4-[[2-[[2-methoxy-5-methyl-4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-1,3-dioxobutyl]amino]-2-methylbenzenesulphonate

inchi:
InChI=1/C22H27N3O13S3.H3N.Na/c1-12-9-16(18(37-5)10-19(12)39(28,29)7-6-38-41(33,34)35)24-25-21(14(3)26)22(27)23-15-8-13(2)20(40(30,31)32)11-17(15)36-4;;/h8-11,21H,6-7H2,1-5H3,(H,23,27)(H,30,31,32)(H,33,34,35);1H3;/q;;+1/p-1

smiles:
[Na+].O=C(NC=1C=C(C(=CC1OC)S(=O)(=O)[O-])C)C(N=NC=2C=C(C(=CC2OC)S(=O)(=O)CCOS(=O)(=O)[O-])C)C(=O)C.[NH4+]


cas: 85940-69-8
dtxsid: DTXSID101006527
formula: C22H43Cl3O4
inchikey: QYYHNXXATOSJNY-UHFFFAOYSA-N
norman_susdat_id: NS00064838
pubchem_cid: 44153964
smiles: ClCC(O)COC(CCl)COC(CCl)COCCCCCCCCCCCCC.N(C)(C)C
name:
1-chloro-3-[2-chloro-1-[[2-chloro-1-[(tridecyloxy)methyl]ethoxy]methyl]ethoxy]propan-2-ol, compound with trimethylamine

inchi:
InChI=1/C22H43Cl3O4.C3H9N/c1-2-3-4-5-6-7-8-9-10-11-12-13-27-18-21(15-24)29-19-22(16-25)28-17-20(26)14-23;1-4(2)3/h20-22,26H,2-19H2,1H3;1-3H3


name: 1-Amino-4-hydroxy-2-(2-(3-methylphenoxy)ethoxy)anthraquinone
cas: 85946-14-1
chemspiderid: 14992263
dtxsid: DTXSID40235278
formula: C23H19N1O5
inchikey: PRFLHIULISVRAU-UHFFFAOYSA-N
norman_susdat_id: NS00039105
pubchem_cid: 16205649
smiles: Cc1cc(OCCOc2c(N)c3c(c(O)c2)C(=O)c2c(cccc2)C3=O)ccc1
inchi:
InChI=1S/C23H19NO5/c1-13-5-4-6-14(11-13)28-9-10-29-18-12-17(25)19-20(21(18)24)23(27)16-8-3-2-7-15(16)22(19)26/h2-8,11-12,25H,9-10,24H2,1H3


cas: 85946-19-6
formula: C19H12Cl2N8O9S2
inchikey: MMAQGROUBPXPLL-UHFFFAOYSA-N
norman_susdat_id: NS00092342
smiles: Clc1nc(nc(Cl)n1)Nc4cc(N=NC3\C(=N/N(c2ccc(cc2)S(O)(=O)=O)C3=O)C(O)=O)c(cc4)S(O)(=O)=O
name:
4-[[5-[(4,6-dichloro-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/C19H12Cl2N8O9S2/c20-17-23-18(21)25-19(24-17)22-8-1-6-12(40(36,37)38)11(7-8)26-27-13-14(16(31)32)28-29(15(13)30)9-2-4-10(5-3-9)39(33,34)35/h1-7,13H,(H,31,32)(H,33,34,35)(H,36,37,38)(H,22,23,24,25)


name: Diethyl N,N'-ethane-1,2-diylbis(N-(1-oxoisononyl)-beta-alaninate)
cas: 85958-95-8
chemspiderid: NA
dtxsid: DTXSID30235287
formula: C30H56N2O6
inchikey: JYJIHAKTINQWOI-UHFFFAOYSA-N
norman_susdat_id: NS00039106
pubchem_cid: 44150952
smiles: CCOC(=O)CCN(CCN(CCC(=O)OCC)C(=O)CCCCCC(C)C)C(=O)CCCCCC(C)C
inchi:
InChI=1S/C30H56N2O6/c1-7-37-29(35)19-21-31(27(33)17-13-9-11-15-25(3)4)23-24-32(22-20-30(36)38-8-2)28(34)18-14-10-12-16-26(5)6/h25-26H,7-24H2,1-6H3


cas: 85958-97-0
formula: C19H16ClN3O8S2
inchikey: JTMJWWWNXCSBCD-UHFFFAOYSA-L
norman_susdat_id: NS00066074
pubchem_cid: NA
smiles: [Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(C=C3)S(=O)(=O)[O-])C2O)S(=O)(=O)[O-])CCCl
name:
Disodium 7-[(3-chloro-1-oxopropyl)amino]-4-hydroxy-3-[(4-sulphonatophenyl)azo]naphthalene-2-sulphonate

inchi:
InChI=1/C19H16ClN3O8S2.2Na/c20-8-7-17(24)21-13-3-6-15-11(9-13)10-16(33(29,30)31)18(19(15)25)23-22-12-1-4-14(5-2-12)32(26,27)28;;/h1-6,9-10,25H,7-8H2,(H,21,24)(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2


cas: 85958-98-1
formula: C23H17Cl2N5O12S3
inchikey: AGFMYGHESMMLSS-UHFFFAOYSA-K
norman_susdat_id: NS00066090
pubchem_cid: NA
name:
Trisodium 4-[[3-(4,5-dichloro-6-oxo-6H-pyridazin-1-yl)propionyl]amino]-5-hydroxy-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C23H17Cl2N5O12S3.3Na/c24-15-10-26-30(23(33)20(15)25)6-5-18(31)27-16-9-14(44(37,38)39)7-11-8-17(45(40,41)42)21(22(32)19(11)16)29-28-12-1-3-13(4-2-12)43(34,35)36;;;/h1-4,7-10,32H,5-6H2,(H,27,31)(H,34,35,36)(H,37,38,39)(H,40,41,42);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=C(NC1=CC(=CC2=CC(=C(N=NC3=CC=C(C=C3)S(=O)(=O)[O-])C(O)=C21)S(=O)(=O)[O-])S(=O)(=O)[O-])CCN4N=CC(Cl)=C(Cl)C4=O


cas: 85959-00-8
formula: C29H20ClN7O13S4
inchikey: YZDPNAXQESKVNE-UHFFFAOYSA-J
norman_susdat_id: NS00066091
pubchem_cid: NA
name:
Tetrasodium 7-[[6-[[4-chloro-6-(phenylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1,3,6-trisulphonate

inchi:
InChI=1/C29H20ClN7O13S4.4Na/c30-27-33-28(31-16-4-2-1-3-5-16)35-29(34-27)32-17-6-7-19-14(8-17)11-24(54(48,49)50)25(26(19)38)37-36-21-13-20-15(10-23(21)53(45,46)47)9-18(51(39,40)41)12-22(20)52(42,43)44;;;;/h1-13,38H,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,31,32,33,34,35);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC=3C(O)=C4C=CC(=CC4=CC3S(=O)(=O)[O-])NC=5N=C(Cl)N=C(N5)NC=6C=CC=CC6)C=C2C(=C1)S(=O)(=O)[O-])S(=O)(=O)[O-]


cas: 85959-03-1
formula: C19H12Cl2N6O10S3
inchikey: XZOLNPXOULYRKE-UHFFFAOYSA-K
norman_susdat_id: NS00064788
pubchem_cid: NA
name:
Trisodium 3-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]-4-hydroxynaphthalene-1,5-disulphonate

inchi:
InChI=1/C19H12Cl2N6O10S3.3Na/c20-17-23-18(21)25-19(24-17)22-8-4-5-12(38(29,30)31)10(6-8)26-27-11-7-14(40(35,36)37)9-2-1-3-13(39(32,33)34)15(9)16(11)28;;;/h1-7,28H,(H,29,30,31)(H,32,33,34)(H,35,36,37)(H,22,23,24,25);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C=C1N=NC2=CC(=C3C=CC=C(C3=C2O)S(=O)(=O)[O-])S(=O)(=O)[O-])NC=4N=C(Cl)N=C(Cl)N4


cas: 85959-07-5
formula: C24H21Cl2N7O9S2
inchikey: NBDZMJBHKDNFTM-UHFFFAOYSA-L
norman_susdat_id: NS00064755
pubchem_cid: NA
name:
Disodium 5-[[3-(4,5-dichloro-6-oxo-6H-pyridazin-1-yl)-1-oxopropyl]amino]-2-[[4,5-dihydro-3-methyl-1-(2-methyl-4-sulphonatophenyl)-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonate

inchi:
InChI=1/C24H21Cl2N7O9S2.2Na/c1-12-9-15(43(37,38)39)4-6-18(12)33-24(36)22(13(2)31-33)30-29-17-5-3-14(10-19(17)44(40,41)42)28-20(34)7-8-32-23(35)21(26)16(25)11-27-32;;/h3-6,9-11,22H,7-8H2,1-2H3,(H,28,34)(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C(Cl)=C(Cl)C=NN1CCC(=O)NC2=CC=C(N=NC3C(=O)N(N=C3C)C4=CC=C(C=C4C)S(=O)(=O)[O-])C(=C2)S(=O)(=O)[O-]


cas: 85959-09-7
formula: C52H36Cl2N18O24S6
inchikey: QTHDQFFXADQENS-UHFFFAOYSA-M
norman_susdat_id: NS00066762
pubchem_cid: 92132710
name:
1H-Pyrazole-3-carboxylic acid, 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)azo]]bis[4,5-dihydro-5-oxo-1-(4-sulfophenyl)-, sodium salt

inchi:
InChI=1/C52H36Cl2N18O24S6.Na/c53-47-59-49(55-25-7-17-35(99(85,86)87)33(19-25)65-67-39-41(45(75)76)69-71(43(39)73)29-9-13-31(14-10-29)97(79,80)81)63-51(61-47)57-27-5-3-23(37(21-27)101(91,92)93)1-2-24-4-6-28(22-38(24)102(94,95)96)58-52-62-48(54)60-50(64-52)56-26-8-18-36(100(88,89)90)34(20-26)66-68-40-42(46(77)78)70-72(44(40)74)30-11-15-32(16-12-30)98(82,83)84;/h1-22,39-40H,(H,75,76)(H,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H2,55,57,59,61,63)(H2,56,58,60,62,64);/q;+1/p-1

smiles:
[Na+].O=C([O-])C1=NN(C(=O)C1N=NC2=CC(=CC=C2S(=O)(=O)O)NC3=NC(Cl)=NC(=N3)NC4=CC=C(C=CC5=CC=C(C=C5S(=O)(=O)O)NC=6N=C(Cl)N=C(N6)NC7=CC=C(C(N=NC8C(=O)N(N=C8C(=O)O)C9=CC=C(C=C9)S(=O)(=O)O)=C7)S(=O)(=O)O)C(=C4)S(=O)(=O)O)C%10=CC=C(C=C%10)S(=O)(=O)O


cas: 85959-10-0
formula: C52H34Cl4N18O18S4
inchikey: WZAHYGPXOHTZIR-UHFFFAOYSA-M
norman_susdat_id: NS00066753
pubchem_cid: 92132711
name:
1H-Pyrazole-3-carboxylic acid, 4,4'-[1,2-ethenediylbis[(3-sulfo-4,1-phenylene)imino(6-chloro-1,3,5-triazine-4,2-diyl)imino(6-sulfo-3,1-phenylene)azo]]bis[1-(2-chlorophenyl)-4,5-dihydro-5-oxo-, sodium salt

inchi:
InChI=1/C52H34Cl4N18O18S4.Na/c53-29-5-1-3-7-33(29)73-43(75)39(41(71-73)45(77)78)69-67-31-19-25(15-17-35(31)93(81,82)83)57-49-61-47(55)63-51(65-49)59-27-13-11-23(37(21-27)95(87,88)89)9-10-24-12-14-28(22-38(24)96(90,91)92)60-52-64-48(56)62-50(66-52)58-26-16-18-36(94(84,85)86)32(20-26)68-70-40-42(46(79)80)72-74(44(40)76)34-8-4-2-6-30(34)54;/h1-22,39-40H,(H,77,78)(H,79,80)(H,81,82,83)(H,84,85,86)(H,87,88,89)(H,90,91,92)(H2,57,59,61,63,65)(H2,58,60,62,64,66);/q;+1/p-1

smiles:
[Na+].O=C([O-])C1=NN(C(=O)C1N=NC2=CC(=CC=C2S(=O)(=O)O)NC3=NC(Cl)=NC(=N3)NC4=CC=C(C=CC5=CC=C(C=C5S(=O)(=O)O)NC=6N=C(Cl)N=C(N6)NC7=CC=C(C(N=NC8C(=O)N(N=C8C(=O)O)C=9C=CC=CC9Cl)=C7)S(=O)(=O)O)C(=C4)S(=O)(=O)O)C=%10C=CC=CC%10Cl


cas: 85959-11-1
formula: C52H38Cl4N18O20S6
inchikey: MVDCSFJJBUORPI-IPZNYOEBSA-H
norman_susdat_id: NS00066751
pubchem_cid: NA
name:
Hexasodium 4,4'-bis[[4-chloro-6-[[3-[[1-(2-chloro-5-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulphonatophenyl]amino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonate

inchi:
InChI=1/C52H38Cl4N18O20S6.6Na/c1-23-43(45(75)73(71-23)37-21-31(95(77,78)79)11-13-33(37)53)69-67-35-17-27(9-15-39(35)97(83,84)85)57-49-61-47(55)63-51(65-49)59-29-7-5-25(41(19-29)99(89,90)91)3-4-26-6-8-30(20-42(26)100(92,93)94)60-52-64-48(56)62-50(66-52)58-28-10-16-40(98(86,87)88)36(18-28)68-70-44-24(2)72-74(46(44)76)38-22-32(96(80,81)82)12-14-34(38)54;;;;;;/h3-22,43-44H,1-2H3,(H,77,78,79)(H,80,81,82)(H,83,84,85)(H,86,87,88)(H,89,90,91)(H,92,93,94)(H2,57,59,61,63,65)(H2,58,60,62,64,66);;;;;;/q;6*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=C1N(N=C(C)C1N=NC2=CC(=CC=C2S(=O)(=O)[O-])NC3=NC(Cl)=NC(=N3)NC4=CC=C(C=CC5=CC=C(C=C5S(=O)(=O)[O-])NC=6N=C(Cl)N=C(N6)NC7=CC=C(C(N=NC8C(=O)N(N=C8C)C9=CC(=CC=C9Cl)S(=O)(=O)[O-])=C7)S(=O)(=O)[O-])C(=C4)S(=O)(=O)[O-])C%10=CC(=CC=C%10Cl)S(=O)(=O)[O-]


name: Ammonium dihydrogen 3-sulphonatophthalate
cas: 85959-15-5
formula: C8H6O7S.H3N
inchikey: JPHSPXLEYNHBAV-UHFFFAOYSA-L
norman_susdat_id: NS00092568
smiles: [NH4+].[O-]C(=O)c1cccc(c1C(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C8H6O7S.H3N/c9-7(10)4-2-1-3-5(16(13,14)15)6(4)8(11)12;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);1H3/p-2


name: 3-(3-amino-3-oxopropyl)-2-[[4-(benzylethylamino)phenyl]azo]-6-ethoxybenzothiazolium chloride
cas: 85959-18-8
dtxsid: DTXSID101006541
formula: C27H30N5O2S
inchikey: BPTWPFQNQNJDFN-UHFFFAOYSA-N
norman_susdat_id: NS00066009
pubchem_cid: 44148331
smiles: [Cl-].O=C(N)CC[N+]1=C(N=NC2=CC=C(C=C2)N(CC=3C=CC=CC3)CC)SC=4C=C(OCC)C=CC41
inchi:
InChI=1/C27H29N5O2S.ClH/c1-3-31(19-20-8-6-5-7-9-20)22-12-10-21(11-13-22)29-30-27-32(17-16-26(28)33)24-15-14-23(34-4-2)18-25(24)35-27;/h5-15,18H,3-4,16-17,19H2,1-2H3,(H-,28,33);1H


name: 1-[(2-ethylhexyl)amino]-4-[(3-methylbutyl)amino]anthraquinone
cas: 85959-19-9
dtxsid: DTXSID801006542
formula: C27H36N2O2
inchikey: PYYYAKHJCLDAGG-UHFFFAOYSA-N
norman_susdat_id: NS00066010
pubchem_cid: 16205651
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NCCC(C)C)C13)NCC(CC)CCCC
inchi:
InChI=1/C27H36N2O2/c1-5-7-10-19(6-2)17-29-23-14-13-22(28-16-15-18(3)4)24-25(23)27(31)21-12-9-8-11-20(21)26(24)30/h8-9,11-14,18-19,28-29H,5-7,10,15-17H2,1-4H3


name: Disodium 4,4'-iminobis[1-amino-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate]
cas: 85959-20-2
dtxsid: DTXSID60235290
formula: C28H17N3O10S2
inchikey: UEJHAGRAAMHYGD-UHFFFAOYSA-L
norman_susdat_id: NS00064786
pubchem_cid: NA
inchi:
InChI=1/C28H17N3O10S2.2Na/c29-23-17(42(36,37)38)9-15(19-21(23)27(34)13-7-3-1-5-11(13)25(19)32)31-16-10-18(43(39,40)41)24(30)22-20(16)26(33)12-6-2-4-8-14(12)28(22)35;;/h1-10,31H,29-30H2,(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)[O-])NC=4C=C(C(N)=C5C(=O)C=6C=CC=CC6C(=O)C45)S(=O)(=O)[O-]


cas: 85959-21-3
formula: C28H18N8O14S2.2Na
inchikey: NOGIWMLTVGJABF-UHFFFAOYSA-L
norman_susdat_id: NS00093022
name:
Disodium 5-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C28H18N8O14S2.2Na/c37-21-7-5-16(36(43)44)11-19(21)31-34-26-23(52(48,49)50)10-13-9-17(51(45,46)47)12-20(24(13)28(26)40)32-30-18-6-8-22(38)25(27(18)39)33-29-14-1-3-15(4-2-14)35(41)42;;/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=Nc5cc(cc4cc(c(N=Nc3cc(ccc3O)[N+]([O-])=O)c(O)c45)S([O-])(=O)=O)S([O-])(=O)=O


cas: 85959-22-4
formula: C28H20N8O14S2
inchikey: ZCRIAKTZUSQIMP-UHFFFAOYSA-N
norman_susdat_id: NS00065242
pubchem_cid: 135854082
name:
5-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]naphthalene-2,7-disulphonic acid

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

smiles:
O=[N+]([O-])C1=CC=C(N=NC=2C(O)=CC=C(N=NC=3C=C(C=C4C=C(C(N=NC5=CC(=CC=C5O)[N+](=O)[O-])=C(O)C34)S(=O)(=O)O)S(=O)(=O)O)C2O)C=C1


cas: 85959-23-5
formula: C28H18N8O14S2
inchikey: LGXQDISFLSBKEI-UHFFFAOYSA-N
norman_susdat_id: NS00092335
name:
5-[[2,4-dihydroxy-3-[(2-hydroxy-5-nitrophenyl)azo]phenyl]azo]-4-hydroxy-3-[(4-nitrophenyl)azo]naphthalene-2,7-disulphonic acid

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

smiles:
Oc2c(ccc(O)c2N=Nc1cc(ccc1O)[N+]([O-])=O)N=Nc5cc(cc4cc(c(N=Nc3ccc(cc3)[N+]([O-])=O)c(O)c45)S(O)(=O)=O)S(O)(=O)=O


cas: 85959-24-6
formula: C28H20N6O9S2
inchikey: LBJBLMVXDSVDBJ-UHFFFAOYSA-L
norman_susdat_id: NS00064713
pubchem_cid: 3021073
name:
Disodium 7-[[2,4-dihydroxy-5-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]phenyl]azo]-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C28H20N6O9S2.2Na/c35-26-13-22(45(41,42)43)12-16-11-20(7-10-23(16)26)32-34-25-14-24(27(36)15-28(25)37)33-31-18-3-1-17(2-4-18)29-30-19-5-8-21(9-6-19)44(38,39)40;;/h1-15,35-37H,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(N=NC=3C=C(N=NC=4C=CC5=C(O)C=C(C=C5C4)S(=O)(=O)[O-])C(O)=CC3O)C=C2)C=C1


cas: 85959-25-7
formula: C28H20N6O9S2
inchikey: CPEFPWUAGFRQJC-UHFFFAOYSA-N
norman_susdat_id: NS00092585
smiles: Oc3cc(O)c(cc3N=Nc2ccc(N=Nc1ccc(cc1)S(O)(=O)=O)cc2)N=Nc4cc5cc(cc(O)c5cc4)S(O)(=O)=O
name:
7-[[2,4-dihydroxy-5-[[4-[(4-sulphophenyl)azo]phenyl]azo]phenyl]azo]-4-hydroxynaphthalene-2-sulphonic acid

inchi:
InChI=1/C28H20N6O9S2/c35-26-13-22(45(41,42)43)12-16-11-20(7-10-23(16)26)32-34-25-14-24(27(36)15-28(25)37)33-31-18-3-1-17(2-4-18)29-30-19-5-8-21(9-6-19)44(38,39)40/h1-15,35-37H,(H,38,39,40)(H,41,42,43)


cas: 85959-26-8
formula: C28H22N10O11S2
inchikey: XJQHTSDHQKFAMT-UHFFFAOYSA-N
norman_susdat_id: NS00093023
name:
2-[[4-[[2-amino-4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphophenyl)-1H-pyrazol-4-yl]azo]-5-nitrophenyl]azo]phenyl]amino]-5-nitrobenzenesulphonic acid

inchi:
InChI=1/C28H22N10O11S2/c1-15-27(28(39)36(35-15)18-6-9-20(10-7-18)50(44,45)46)34-33-24-13-21(29)23(14-25(24)38(42)43)32-31-17-4-2-16(3-5-17)30-22-11-8-19(37(40)41)12-26(22)51(47,48)49/h2-14,27,30H,29H2,1H3,(H,44,45,46)(H,47,48,49)

smiles:
[O-][N+](=O)c5ccc(Nc1ccc(cc1)N=Nc2cc([N+]([O-])=O)c(cc2N)N=NC4C(\C)=N/N(c3ccc(cc3)S(O)(=O)=O)C4=O)c(c5)S(O)(=O)=O


cas: 85959-27-9
formula: C28H24N10O11S2
inchikey: AAALRSYHMIVUCC-UHFFFAOYSA-L
norman_susdat_id: NS00065256
pubchem_cid: 11971018
name:
Disodium 2-[[4-[[2-amino-4-[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]-5-nitrophenyl]azo]phenyl]amino]-5-nitrobenzenesulphonate

inchi:
InChI=1/C28H22N10O11S2.2Na/c1-15-27(28(39)36(35-15)18-6-9-20(10-7-18)50(44,45)46)34-33-24-13-21(29)23(14-25(24)38(42)43)32-31-17-4-2-16(3-5-17)30-22-11-8-19(37(40)41)12-26(22)51(47,48)49;;/h2-14,27,30H,29H2,1H3,(H,44,45,46)(H,47,48,49);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1N(N=C(C)C1N=NC=2C=C(N)C(N=NC3=CC=C(C=C3)NC4=CC=C(C=C4S(=O)(=O)[O-])[N+](=O)[O-])=CC2[N+](=O)[O-])C5=CC=C(C=C5)S(=O)(=O)[O-]


cas: 85959-28-0
dtxsid: DTXSID501006543
formula: C28H29N7O
inchikey: VEYULNDYWIZDQV-UHFFFAOYSA-N
norman_susdat_id: NS00064801
pubchem_cid: NA
smiles: [Cl-].O=C(N)CCN1C=N[NH+](CC=2C=CC=CC2)C1N=NC=3C=4C=CC=CC4N(C3C=5C=CC=CC5)CC
name:
4-(3-amino-3-oxopropyl)-5-[(1-ethyl-2-phenyl-1H-indol-3-yl)azo]-1-(phenylmethyl)-1H-1,2,4-triazolium chloride

inchi:
InChI=1/C28H29N7O.ClH/c1-2-34-24-16-10-9-15-23(24)26(27(34)22-13-7-4-8-14-22)31-32-28-33(18-17-25(29)36)20-30-35(28)19-21-11-5-3-6-12-21;/h3-16,20,28H,2,17-19H2,1H3,(H2,29,36);1H


cas: 85959-29-1
formula: C28H29N5O20S6
inchikey: XFFMTXSFQAZAMM-UHFFFAOYSA-J
norman_susdat_id: NS00064714
pubchem_cid: 135570921
name:
Tetrasodium 4-amino-5-hydroxy-6-[[2-methoxy-5-methyl-4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-3-[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C28H29N5O20S6.4Na/c1-15-11-19(20(51-2)14-21(15)55(37,38)10-8-53-59(48,49)50)31-33-27-23(57(42,43)44)13-16-12-22(56(39,40)41)26(25(29)24(16)28(27)34)32-30-17-3-5-18(6-4-17)54(35,36)9-7-52-58(45,46)47;;;;/h3-6,11-14,34H,7-10,29H2,1-2H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])OCCS(=O)(=O)C1=CC=C(N=NC=2C(N)=C3C(O)=C(N=NC=4C=C(C(=CC4OC)S(=O)(=O)CCOS(=O)(=O)[O-])C)C(=CC3=CC2S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1


cas: 85959-30-4
formula: C28H29N5O20S6
inchikey: OMXJQNIVFPWVOO-UHFFFAOYSA-N
norman_susdat_id: NS00092354
name:
4-amino-5-hydroxy-6-[[2-methoxy-5-methyl-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-3-[[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C28H29N5O20S6/c1-15-11-19(20(51-2)14-21(15)55(37,38)10-8-53-59(48,49)50)31-33-27-23(57(42,43)44)13-16-12-22(56(39,40)41)26(25(29)24(16)28(27)34)32-30-17-3-5-18(6-4-17)54(35,36)9-7-52-58(45,46)47/h3-6,11-14,34H,7-10,29H2,1-2H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)

smiles:
COc4cc(c(C)cc4N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S(=O)(=O)CCOS(O)(=O)=O)c(N)c2c3O)S(O)(=O)=O)S(O)(=O)=O)S(=O)(=O)CCOS(O)(=O)=O


cas: 85959-31-5
dtxsid: DTXSID201006544
formula: C29H20N7O11S2
inchikey: HUCNESOCZMWPTD-UHFFFAOYSA-K
norman_susdat_id: NS00064715
pubchem_cid: 136171084
name:
1-[6-[[5-[(4-amino-9,10-dihydro-9,10-dioxo-3-sulphonatoanthryl)amino]-2-sulphonatophenyl]amino]-1,4-dihydro-4-oxo-1,3,5-triazin-2-yl]-4-carboxylatopyridinium trisodium chloride

inchi:
InChI=1/C29H19N7O11S2.ClH.3Na/c30-23-20(49(45,46)47)12-18(21-22(23)25(38)16-4-2-1-3-15(16)24(21)37)31-14-5-6-19(48(42,43)44)17(11-14)32-27-33-28(35-29(41)34-27)36-9-7-13(8-10-36)26(39)40;;;;/h1-12H,(H7-,30,31,32,33,34,35,37,38,39,40,41,42,43,44,45,46,47);1H;;;/q;;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].[Cl-].O=C1N=C(NC2=CC(=CC=C2S(=O)(=O)[O-])NC=3C=C(C(N)=C4C(=O)C=5C=CC=CC5C(=O)C34)S(=O)(=O)[O-])NC(=N1)[N+]=6C=CC(=CC6)C(=O)[O-]


name: N,N-diethyl-4-[[2-methyl-4-[(o-tolyl)azo]phenyl]azo]aniline
cas: 85959-32-6
formula: C24H27N5
inchikey: ZDSWNHTYYUFKPX-UHFFFAOYSA-N
norman_susdat_id: NS00064716
pubchem_cid: 3021076
smiles: N(=NC1=CC=C(N=NC=2C=CC=CC2C)C=C1C)C3=CC=C(C=C3)N(CC)CC
inchi:
InChI=1/C24H27N5/c1-5-29(6-2)22-14-11-20(12-15-22)25-28-24-16-13-21(17-19(24)4)26-27-23-10-8-7-9-18(23)3/h7-17H,5-6H2,1-4H3


cas: 85959-34-8
formula: C31H26ClN5O6S2
inchikey: BDAGTKYPEOVSDT-UHFFFAOYSA-L
norman_susdat_id: NS00064718
pubchem_cid: 11971020
name:
Disodium 8-[(4-chlorophenyl)azo]-5-[[4-[ethyl[(3-sulphonatophenyl)methyl]amino]phenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C31H26ClN5O6S2.2Na/c1-2-37(20-21-4-3-5-26(18-21)44(38,39)40)25-12-10-24(11-13-25)34-35-30-16-17-31(36-33-23-8-6-22(32)7-9-23)29-19-27(45(41,42)43)14-15-28(29)30;;/h3-19H,2,20H2,1H3,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(C1)CN(C2=CC=C(N=NC3=CC=C(N=NC4=CC=C(Cl)C=C4)C=5C=C(C=CC35)S(=O)(=O)[O-])C=C2)CC


name: 3-[[4-[[4-[ethyl[(4-sulphophenyl)methyl]amino]phenyl]azo]-1-naphthyl]azo]benzenesulphonic acid
cas: 85959-35-9
formula: C31H27N5O6S2
inchikey: HHPJBJQLUFRROB-UHFFFAOYSA-N
norman_susdat_id: NS00093024
smiles: OS(=O)(=O)c1ccc(cc1)CN(CC)c2ccc(cc2)N=Nc5ccc(N=Nc3cccc(c3)S(O)(=O)=O)c4ccccc45
inchi:
InChI=1/C31H27N5O6S2/c1-2-36(21-22-10-16-26(17-11-22)43(37,38)39)25-14-12-23(13-15-25)32-34-30-18-19-31(29-9-4-3-8-28(29)30)35-33-24-6-5-7-27(20-24)44(40,41)42/h3-20H,2,21H2,1H3,(H,37,38,39)(H,40,41,42)


cas: 85959-36-0
formula: C31H31N3O9S
inchikey: RUCHFDRICGABHM-UHFFFAOYSA-N
norman_susdat_id: NS00065257
pubchem_cid: 3021080
smiles: O=C(OCCS(=O)(=O)C1=CC=C(OC)C(N=NC2=C(O)C(=CC=3C=CC=CC23)C(=O)NC4=CC(OC)=CC=C4OC)=C1)CC
name:
N-(2,5-dimethoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[[2-(1-oxopropoxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-carboxamide

inchi:
InChI=1/C31H31N3O9S/c1-5-28(35)43-14-15-44(38,39)21-11-13-27(42-4)25(18-21)33-34-29-22-9-7-6-8-19(22)16-23(30(29)36)31(37)32-24-17-20(40-2)10-12-26(24)41-3/h6-13,16-18,36H,5,14-15H2,1-4H3,(H,32,37)


cas: 85959-37-1
formula: C34H26N8O11S3
inchikey: TURGKCHMSTYYNV-UHFFFAOYSA-M
norman_susdat_id: NS00092586
name:
4-[[7-[(2,4-diaminophenyl)azo]-1-hydroxy-3-sulphonato-2-naphthyl]azo]-4'-[(4-hydroxyphenyl)azo][1,1'-biphenyl]-2,2'-disulphonic acid

inchi:
InChI=1/C34H26N8O11S3/c35-19-2-12-29(28(36)14-19)41-39-21-3-1-18-13-32(56(51,52)53)33(34(44)27(18)15-21)42-40-23-7-11-26(31(17-23)55(48,49)50)25-10-6-22(16-30(25)54(45,46)47)38-37-20-4-8-24(43)9-5-20/h1-17,43-44H,35-36H2,(H,45,46,47)(H,48,49,50)(H,51,52,53)/p-1

smiles:
Oc6ccc(N=Nc5ccc(c4ccc(N=Nc3c(cc2ccc(N=Nc1ccc(N)cc1N)cc2c3O)S([O-])(=O)=O)cc4S(O)(=O)=O)c(c5)S(O)(=O)=O)cc6


cas: 85959-38-2
formula: C35H31Cl2N7O5
inchikey: MLAZNTLPLAACNH-UHFFFAOYSA-N
norman_susdat_id: NS00066011
pubchem_cid: 3021081
name:
4-[[1-[[(4-chloro-o-tolyl)amino]carbonyl]-2-oxopropyl]azo]-N-[4-[[1-[[(4-chloro-o-tolyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]benzamide

inchi:
InChI=1/C35H31Cl2N7O5/c1-19-17-24(36)7-15-29(19)39-34(48)31(21(3)45)43-41-27-9-5-23(6-10-27)33(47)38-26-11-13-28(14-12-26)42-44-32(22(4)46)35(49)40-30-16-8-25(37)18-20(30)2/h5-18,31-32H,1-4H3,(H,38,47)(H,39,48)(H,40,49)

smiles:
O=C(NC1=CC=C(N=NC(C(=O)NC2=CC=C(Cl)C=C2C)C(=O)C)C=C1)C3=CC=C(N=NC(C(=O)NC4=CC=C(Cl)C=C4C)C(=O)C)C=C3


name: 2,4-bis[[2,6-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]benzenesulphonic acid
cas: 85959-46-2
formula: C30H20N10O11S
inchikey: LACCTZFLEKWPTD-UHFFFAOYSA-N
norman_susdat_id: NS00092311
inchi:
InChI=1/C30H20N10O11S/c41-24-12-10-21(34-31-16-1-6-19(7-2-16)39(45)46)29(43)27(24)37-33-18-5-14-26(52(49,50)51)23(15-18)36-38-28-25(42)13-11-22(30(28)44)35-32-17-3-8-20(9-4-17)40(47)48/h1-15,41-44H,(H,49,50,51)

smiles:
Oc4c(ccc(O)c4N=Nc3cc(N=Nc2c(O)ccc(N=Nc1ccc(cc1)[N+]([O-])=O)c2O)ccc3S(O)(=O)=O)N=Nc5ccc(cc5)[N+]([O-])=O


cas: 85959-47-3
dtxsid: DTXSID20890420
formula: C30H22N6O8S
inchikey: WKJLXUBMIJDHIZ-UHFFFAOYSA-L
norman_susdat_id: NS00064803
pubchem_cid: NA
name:
Disodium 5-[[4-[[[4-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]phenyl]amino]carbonyl]phenyl]azo]salicylate

inchi:
InChI=1/C30H22N6O8S.2Na/c31-18-4-1-17-13-26(45(42,43)44)27(28(38)23(17)14-18)36-34-21-9-7-19(8-10-21)32-29(39)16-2-5-20(6-3-16)33-35-22-11-12-25(37)24(15-22)30(40)41;;/h1-15,37-38H,31H2,(H,32,39)(H,40,41)(H,42,43,44);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=CC(N=NC2=CC=C(C=C2)C(=O)NC3=CC=C(N=NC4=C(O)C5=CC(N)=CC=C5C=C4S(=O)(=O)[O-])C=C3)=CC=C1O


cas: 85959-48-4
formula: C30H22N6O8S
inchikey: ZUCKLHZBLNPEOT-UHFFFAOYSA-N
norman_susdat_id: NS00093046
smiles: O=C(O)c1cc(ccc1O)N=Nc2ccc(cc2)C(=O)Nc5ccc(N=Nc4c(cc3ccc(N)cc3c4O)S(O)(=O)=O)cc5
name:
5-[[4-[[[4-[(7-amino-1-hydroxy-3-sulpho-2-naphthyl)azo]phenyl]amino]carbonyl]phenyl]azo]salicylic acid

inchi:
InChI=1/C30H22N6O8S/c31-18-4-1-17-13-26(45(42,43)44)27(28(38)23(17)14-18)36-34-21-9-7-19(8-10-21)32-29(39)16-2-5-20(6-3-16)33-35-22-11-12-25(37)24(15-22)30(40)41/h1-15,37-38H,31H2,(H,32,39)(H,40,41)(H,42,43,44)


name: 2,4-bis[[2,4-diamino-5-[(3-sulphophenyl)azo]phenyl]azo]benzenesulphonic acid
cas: 85959-49-5
formula: C30H26N12O9S3
inchikey: LLUVTVMDWWOZPO-UHFFFAOYSA-N
norman_susdat_id: NS00092312
inchi:
InChI=1/C30H26N12O9S3/c31-21-12-22(32)26(14-25(21)38-35-16-3-1-5-19(9-16)52(43,44)45)40-37-18-7-8-30(54(49,50)51)29(11-18)42-41-28-15-27(23(33)13-24(28)34)39-36-17-4-2-6-20(10-17)53(46,47)48/h1-15H,31-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)

smiles:
OS(=O)(=O)c1cccc(c1)N=Nc5cc(N=Nc4cc(N=Nc3cc(N=Nc2cccc(c2)S(O)(=O)=O)c(N)cc3N)c(cc4)S(O)(=O)=O)c(N)cc5N


cas: 85959-50-8
formula: C31H31N3O8S
inchikey: BSSXMVCDPQLNBV-UHFFFAOYSA-N
norman_susdat_id: NS00066032
pubchem_cid: 3021083
smiles: O=C(OCCS(=O)(=O)C1=CC=C(OC)C(N=NC2=C(O)C(=CC=3C=CC=CC32)C(=O)NC=4C=CC=CC4OCC)=C1)CC
name:
N-(2-ethoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[[2-(1-oxopropoxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-carboxamide

inchi:
InChI=1/C31H31N3O8S/c1-4-28(35)42-16-17-43(38,39)21-14-15-26(40-3)25(19-21)33-34-29-22-11-7-6-10-20(22)18-23(30(29)36)31(37)32-24-12-8-9-13-27(24)41-5-2/h6-15,18-19,36H,4-5,16-17H2,1-3H3,(H,32,37)


cas: 85959-51-9
formula: C32H24N8O11S3
inchikey: JDCOSWRVTRJEDB-UHFFFAOYSA-N
norman_susdat_id: NS00092605
name:
5-amino-3-[[4-[[4-[(7-amino-1-hydroxy-3-sulpho-2-naphthyl)azo]phenyl]azo]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonic acid

inchi:
InChI=1/C32H24N8O11S3/c33-18-2-1-16-12-26(53(46,47)48)29(31(41)24(16)14-18)39-37-21-7-3-19(4-8-21)35-36-20-5-9-22(10-6-20)38-40-30-27(54(49,50)51)13-17-11-23(52(43,44)45)15-25(34)28(17)32(30)42/h1-15,41-42H,33-34H2,(H,43,44,45)(H,46,47,48)(H,49,50,51)

smiles:
OS(=O)(=O)c6cc1ccc(N)cc1c(O)c6N=Nc2ccc(cc2)N=Nc3ccc(cc3)N=Nc5c(cc4cc(cc(N)c4c5O)S(O)(=O)=O)S(O)(=O)=O


cas: 85959-53-1
formula: C36H32Cl2N4O10S2
inchikey: NEIGEOFDCQELFS-UHFFFAOYSA-L
norman_susdat_id: NS00064759
pubchem_cid: NA
name:
Disodium 6-[[2-[2-(cyclohexylamino)phenoxy]phenyl]azo]-4-[[(2,4-dichlorophenoxy)acetyl]amino]-5-hydroxynaphthalene-1,7-disulphonate

inchi:
InChI=1/C36H32Cl2N4O10S2.2Na/c37-21-14-16-28(24(38)18-21)51-20-33(43)40-27-15-17-31(53(45,46)47)23-19-32(54(48,49)50)35(36(44)34(23)27)42-41-26-11-5-7-13-30(26)52-29-12-6-4-10-25(29)39-22-8-2-1-3-9-22;;/h4-7,10-19,22,39,44H,1-3,8-9,20H2,(H,40,43)(H,45,46,47)(H,48,49,50);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC=C(C=2C=C(C(N=NC=3C=CC=CC3OC=4C=CC=CC4NC5CCCCC5)=C(O)C12)S(=O)(=O)[O-])S(=O)(=O)[O-])COC6=CC=C(Cl)C=C6Cl


cas: 85959-54-2
formula: C17H12Cl2N6O2
inchikey: XDYYKUOBCJVOBV-UHFFFAOYSA-N
norman_susdat_id: NS00064804
pubchem_cid: NA
smiles: N#CC=1C(=O)N(C(O)=C(N=NC2=NN(C=C2)C3=CC=C(Cl)C(Cl)=C3)C1C)C
name:
5-[[1-(3,4-dichlorophenyl)-1H-pyrazol-3-yl]azo]-1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxonicotinonitrile

inchi:
InChI=1/C17H12Cl2N6O2/c1-9-11(8-20)16(26)24(2)17(27)15(9)22-21-14-5-6-25(23-14)10-3-4-12(18)13(19)7-10/h3-7,27H,1-2H3


cas: 85959-55-3
formula: C37H29N9O13S3
inchikey: PEJDQYYKHVNSAQ-UHFFFAOYSA-N
norman_susdat_id: NS00093052
name:
3-[[4-[[[4-[[2-(acetylamino)-4-hydroxyphenyl]azo]phenyl]amino]carbonyl]phenyl]azo]-4-amino-5-hydroxy-6-[(4-sulphophenyl)azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C37H29N9O13S3/c1-19(47)39-29-18-26(48)12-15-28(29)44-41-24-8-6-22(7-9-24)40-37(50)20-2-4-23(5-3-20)42-45-34-30(61(54,55)56)16-21-17-31(62(57,58)59)35(36(49)32(21)33(34)38)46-43-25-10-13-27(14-11-25)60(51,52)53/h2-18,48-49H,38H2,1H3,(H,39,47)(H,40,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)

smiles:
Oc6ccc(N=Nc5ccc(NC(=O)c4ccc(N=Nc3c(cc2cc(c(N=Nc1ccc(cc1)S(O)(=O)=O)c(O)c2c3N)S(O)(=O)=O)S(O)(=O)=O)cc4)cc5)c(NC(C)=O)c6


name: Tetrasodium 4,4'-bis[[2,5-dimethyl-4-[(4-sulphonatophenyl)azo]phenyl]azo]stilbene-2,2'-disulphonate
cas: 85959-56-4
formula: C42H36N8O12S4
inchikey: XUBBRWVWKGOFBE-IEBZFWCRSA-J
norman_susdat_id: NS00064816
pubchem_cid: 44148224
inchi:
InChI=1/C42H36N8O12S4.4Na/c1-25-21-39(27(3)19-37(25)47-43-31-11-15-35(16-12-31)63(51,52)53)49-45-33-9-7-29(41(23-33)65(57,58)59)5-6-30-8-10-34(24-42(30)66(60,61)62)46-50-40-22-26(2)38(20-28(40)4)48-44-32-13-17-36(18-14-32)64(54,55)56;;;;/h5-24H,1-4H3,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC=2C=C(C(N=NC3=CC=C(C=CC4=CC=C(N=NC5=CC(=C(N=NC6=CC=C(C=C6)S(=O)(=O)[O-])C=C5C)C)C=C4S(=O)(=O)[O-])C(=C3)S(=O)(=O)[O-])=CC2C)C)C=C1


name: 4,4'-bis[[2,5-dimethyl-4-[(4-sulphophenyl)azo]phenyl]azo]stilbene-2,2'-disulphonic acid
cas: 85959-57-5
formula: C42H36N8O12S4
inchikey: SUDNYOWVYIZYQI-MHBSYKRXSA-N
norman_susdat_id: NS00092372
inchi:
InChI=1/C42H36N8O12S4/c1-25-21-39(27(3)19-37(25)47-43-31-11-15-35(16-12-31)63(51,52)53)49-45-33-9-7-29(41(23-33)65(57,58)59)5-6-30-8-10-34(24-42(30)66(60,61)62)46-50-40-22-26(2)38(20-28(40)4)48-44-32-13-17-36(18-14-32)64(54,55)56/h5-24H,1-4H3,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)

smiles:
OS(=O)(=O)c1ccc(cc1)N=Nc2cc(C)c(cc2C)N=Nc6ccc(/C=C/c5ccc(N=Nc3cc(C)c(cc3C)N=Nc4ccc(cc4)S(O)(=O)=O)cc5S(O)(=O)=O)c(c6)S(O)(=O)=O


name: 11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-octanoate
cas: 85959-58-6
dtxsid: DTXSID701006549
formula: C29H42O6
inchikey: NDWSWWNCJPFKAB-KAQKJVHQSA-N
norman_susdat_id: NS00064817
pubchem_cid: 10480577
smiles: O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)COC(=O)CCCCCCC)C4(C)CC(O)C32)C
inchi:
InChI=1/C29H42O6/c1-4-5-6-7-8-9-25(33)35-18-24(32)29(34)15-13-22-21-11-10-19-16-20(30)12-14-27(19,2)26(21)23(31)17-28(22,29)3/h12,14,16,21-23,26,31,34H,4-11,13,15,17-18H2,1-3H3


name: 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-heptanoate
cas: 85959-59-7
chemspiderid: 21165268
dtxsid: DTXSID00235294
formula: C28H38O6
inchikey: QOCHLIUSCKIIRS-JGCKISFHSA-N
norman_susdat_id: NS00039108
pubchem_cid: 44150310
smiles: CCCCCCC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)C=CC4(C)C3C(=O)CC12C
inchi:
InChI=1S/C28H38O6/c1-4-5-6-7-8-24(32)34-17-23(31)28(33)14-12-21-20-10-9-18-15-19(29)11-13-26(18,2)25(20)22(30)16-27(21,28)3/h11,13,15,20-21,25,33H,4-10,12,14,16-17H2,1-3H3/t20-,21+,25+,26+,27+,28-/m0/s1


cas: 85959-60-0
formula: C28H18ClN5O4
inchikey: CFLMHSCXKUSYRU-UHFFFAOYSA-N
norman_susdat_id: NS00065278
pubchem_cid: NA
smiles: N#CC(C(=O)NC1=CC=C(Cl)C=C1)=C2NC(C=3C=CC=CC32)=C4C(=O)NC(=O)N(C4=O)C5=CC=C(C=C5)C
name:
N-(p-chlorophenyl)-2-cyano-2-[2,3-dihydro-3-[tetrahydro-2,4,6-trioxo-1-p-tolylpyrimidin-5(2H)-ylidene]-1H-isoindol-1-ylidene]acetamide

inchi:
InChI=1/C28H18ClN5O4/c1-15-6-12-18(13-7-15)34-27(37)22(26(36)33-28(34)38)24-20-5-3-2-4-19(20)23(32-24)21(14-30)25(35)31-17-10-8-16(29)9-11-17/h2-13,32H,1H3,(H,31,35)(H,33,36,38)


cas: 85959-61-1
chemspiderid: 2342895
formula: C31H38N2O3
inchikey: CILQGDJCXHLODI-UHFFFAOYSA-N
norman_susdat_id: NS00001437
pubchem_cid: NA
smiles: CCN(CC)C1=CC2Oc3cc(N(CC)CC)c(C)cc3C(=C2C=C1C)c1ccccc1C(=O)OC
name:
Xanthylium, 3,6-bis(ethylamino)-9-[2-(methoxycarbonyl)phenyl]-2,7-dimethyl-, molybdatetungstatephosphate

inchi:
InChI=1S/C31H38N2O3/c1-8-32(9-2)26-18-28-24(16-20(26)5)30(22-14-12-13-15-23(22)31(34)35-7)25-17-21(6)27(19-29(25)36-28)33(10-3)11-4/h12-19,28H,8-11H2,1-7H3/t28-/m0/s1


name: Butylbis(2-hydroxyethyl)ammonium butyl sulphate
cas: 85959-64-4
formula: C8H19NO2.C4H10O4S
inchikey: XJJNKIJYDXKFFW-UHFFFAOYSA-N
norman_susdat_id: NS00092606
smiles: CCCCOS(=O)(=O)[O-].CCCC[NH+](CCO)CCO
inchi:
InChI=1/C8H19NO2.C4H10O4S/c1-2-3-4-9(5-7-10)6-8-11;1-2-3-4-8-9(5,6)7/h10-11H,2-8H2,1H3;2-4H2,1H3,(H,5,6,7)


name: Sodium hydrogen 3-amino-5-sulphonatosalicylate
cas: 85959-65-5
formula: C7H7NO6S.Na
inchikey: RORBRNDIUBJZHS-UHFFFAOYSA-L
norman_susdat_id: NS00093053
smiles: [Na+].Nc1cc(cc(C(=O)[O-])c1O)S(=O)(=O)[O-]
inchi:
InChI=1/C7H7NO6S.Na/c8-5-2-3(15(12,13)14)1-4(6(5)9)7(10)11;/h1-2,9H,8H2,(H,10,11)(H,12,13,14);/q;+1/p-2


name: Disodium 2,2'-thiobis[5-aminobenzenesulphonate]
cas: 85959-66-6
formula: C12H12N2O6S3.2Na
inchikey: PVICHGFKYYNPPN-UHFFFAOYSA-L
norman_susdat_id: NS00092373
smiles: [Na+].[Na+].Nc1ccc(Sc2ccc(N)cc2S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-]
inchi:
InChI=1/C12H12N2O6S3.2Na/c13-7-1-3-9(11(5-7)22(15,16)17)21-10-4-2-8(14)6-12(10)23(18,19)20;;/h1-6H,13-14H2,(H,15,16,17)(H,18,19,20);;/q;2*+1/p-2


cas: 85959-70-2
formula: C28H28N7O.1/2Cl4Zn
inchikey: DYGWFPGNMCOQMQ-UHFFFAOYSA-L
norman_susdat_id: NS00092374
name:
Bis[4-(3-amino-3-oxopropyl)-5-[(1-ethyl-2-phenyl-1H-indol-3-yl)azo]-1-(phenylmethyl)-1H-1,2,4-triazolium] tetrachlorozincate(2-)

inchi:
InChI=1/2C28H29N7O.4ClH.Zn/c2*1-2-34-24-16-10-9-15-23(24)26(27(34)22-13-7-4-8-14-22)31-32-28-33(18-17-25(29)36)20-30-35(28)19-21-11-5-3-6-12-21;;;;;/h2*3-16,20,28H,2,17-19H2,1H3,(H2,29,36);4*1H;/q;;;;;;+2/p-2/r2C28H29N7O.Cl4Zn/c2*1-2-34-24-16-10-9-15-23(24)26(27(34)22-13-7-4-8-14-22)31-32-28-33(18-17-25(29)36)20-30-35(28)19-21-11-5-3-6-12-21;1-5(2,3)4/h2*3-16,20,28H,2,17-19H2,1H3,(H2,29,36);/q;;-2/p+2

smiles:
O=C(N)CCN5/C=N\[NH+](Cc1ccccc1)C5N=Nc4c2ccccc2n(CC)c4c3ccccc3.Cl[Zn-2](Cl)(Cl)Cl.CCn5c1ccccc1c(N=NC3[NH+](Cc2ccccc2)\N=C/N3CCC(N)=O)c5c4ccccc4


name: N-[3-hydroxy-4-[(2-nitrophenyl)azo]-1-oxo-2(1H)-isoquinolyl]benzamide
cas: 85968-49-6
formula: C22H16N5O5
inchikey: KJKHOROFNANLFA-UHFFFAOYSA-N
norman_susdat_id: NS00064818
pubchem_cid: NA
smiles: O=C(NN1C(=O)C=2C=CC=CC2C(N=NC=3C=CC=CC3[N+](=O)[O-])=C1O)C=4C=CC=CC4
inchi:
InChI=1/C22H15N5O5/c28-20(14-8-2-1-3-9-14)25-26-21(29)16-11-5-4-10-15(16)19(22(26)30)24-23-17-12-6-7-13-18(17)27(31)32/h1-13,30H,(H,25,28)


cas: 85977-48-6
formula: C31H26ClN5O6S2
inchikey: QHIFZMIPUOEHMK-UHFFFAOYSA-N
norman_susdat_id: NS00092392
smiles: Clc5ccc(N=Nc4ccc(N=Nc1ccc(cc1)N(Cc2cccc(c2)S(O)(=O)=O)CC)c3ccc(cc34)S(O)(=O)=O)cc5
name:
8-[(4-chlorophenyl)azo]-5-[[4-[ethyl[(3-sulfophenyl)methyl]amino]phenyl]azo]naphthalene-2-sulphonic acid

inchi:
InChI=1/C31H26ClN5O6S2/c1-2-37(20-21-4-3-5-26(18-21)44(38,39)40)25-12-10-24(11-13-25)34-35-30-16-17-31(36-33-23-8-6-22(32)7-9-23)29-19-27(45(41,42)43)14-15-28(29)30/h3-19H,2,20H2,1H3,(H,38,39,40)(H,41,42,43)


name: BMS-690514
cas: 859853-30-8
dtxsid: DTXSID3042689
formula: C19H24N6O2
inchikey: CSGQVNMSRKWUSH-IAGOWNOFSA-N
norman_susdat_id: NS00072512
pubchem_cid: 11349170
smiles: COc1cccc(Nc2ncnn3ccc(CN4CC[C@@H](N)[C@H](O)C4)c23)c1
inchi:
InChI=1S/C19H24N6O2/c1-27-15-4-2-3-14(9-15)23-19-18-13(5-8-25(18)22-12-21-19)10-24-7-6-16(20)17(26)11-24/h2-5,8-9,12,16-17,26H,6-7,10-11,20H2,1H3,(H,21,22,23)/t16-,17-/m1/s1


name: Guanosine triphosphate
cas: 86-01-1
chebiid: CHEBI:15996
chemspiderid: 6569
dtxsid: DTXSID30235328
formula: C10H16N5O14P3
inchikey: XKMLYUALXHKNFT-UUOKFMHZSA-N
norman_susdat_id: NS00015100
pubchem_cid: 6830
smiles: C1=NC2=C(N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)NC(=NC2=O)N
inchi:
InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1


name: Inosine 5'-(trihydrogen diphosphate)
cas: 86-04-4
dtxsid: DTXSID90235329
formula: C10H14N4O11P2
inchikey: JPXZQMKKFWMMGK-UHFFFAOYSA-N
norman_susdat_id: NS00041025
pubchem_cid: NA
smiles: O=P(O)(O)OP(=O)(O)OCC1OC(N2C=NC=3C(O)=NC=NC32)C(O)C1O
inchi:
InChI=1/C10H14N4O11P2/c15-6-4(1-23-27(21,22)25-26(18,19)20)24-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,21,22)(H,11,12,17)(H2,18,19,20)


name: Thenalidine
cas: 86-12-4
chebiid: CHEBI:135187
chemspiderid: 25957
dtxsid: DTXSID1048835
formula: C17H22N2S1
inchikey: KLOHYVOVXOUKQI-UHFFFAOYSA-N
norman_susdat_id: NS00006482
pubchem_cid: 27901
smiles: CN1CCC(CC1)N(Cc1cccs1)c1ccccc1
inchi:
InChI=1S/C17H22N2S/c1-18-11-9-16(10-12-18)19(14-17-8-5-13-20-17)15-6-3-2-4-7-15/h2-8,13,16H,9-12,14H2,1H3


name: Benztropine
cas: 86-13-5
chemspiderid: 6571
dtxsid: DTXSID9022659
formula: C21H25N1O1
inchikey: GIJXKZJWITVLHI-RTBURBONSA-N
norman_susdat_id: NS00005153
pubchem_cid: 6832
smiles: CN1[C@@H]2CC[C@@H]1CC(C2)OC(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C21H25NO/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-11,18-21H,12-15H2,1H3/t18-,19-/m1/s1


name: Morpholine, 4-(2,5-dibutoxy-4-nitrophenyl)-
cas: 86-15-7
chemspiderid: 59940
dtxsid: DTXSID0058934
formula: C18H28N2O5
inchikey: MKVBADWWJFSRRK-UHFFFAOYSA-N
norman_susdat_id: NS00039113
pubchem_cid: 66570
smiles: CCCCOc1cc(N2CCOCC2)c(OCCCC)cc1[N+](=O)[O-]
inchi:
InChI=1S/C18H28N2O5/c1-3-5-9-24-17-14-16(20(21)22)18(25-10-6-4-2)13-15(17)19-7-11-23-12-8-19/h13-14H,3-12H2,1-2H3


name: 11H-Benzo[a]carbazole-3-carboxamide, 2-hydroxy-N-(4-methoxyphenyl)-
cas: 86-19-1
chemspiderid: 59942
dtxsid: DTXSID5058935
formula: C24H18N2O3
inchikey: HRNSEOMPRWUKQL-UHFFFAOYSA-N
norman_susdat_id: NS00020893
pubchem_cid: 66572
smiles: COc1ccc(NC(=O)c2cc3ccc4c([nH]c5ccccc45)c3cc2O)cc1
inchi:
InChI=1S/C24H18N2O3/c1-29-16-9-7-15(8-10-16)25-24(28)20-12-14-6-11-18-17-4-2-3-5-21(17)26-23(18)19(14)13-22(20)27/h2-13,26-27H,1H3,(H,25,28)


name: Brompheniramine
cas: 86-22-6
chebiid: CHEBI:3183
chemspiderid: 6573
dtxsid: DTXSID5022691
formula: C16H19Br1N2
inchikey: ZDIGNSYAACHWNL-UHFFFAOYSA-N
norman_susdat_id: NS00007169
pubchem_cid: 6834
smiles: CN(C)CCC(c1ccc(Br)cc1)c1ccccn1
inchi:
InChI=1S/C16H19BrN2/c1-19(2)12-10-15(16-5-3-4-11-18-16)13-6-8-14(17)9-7-13/h3-9,11,15H,10,12H2,1-2H3


name: N-octyl-N-phenylaniline
cas: 86-25-9
chemspiderid: 59945
dtxsid: DTXSID1052583
formula: C20H27N1
inchikey: RQVGZVZFVNMBGS-UHFFFAOYSA-N
norman_susdat_id: NS00039117
pubchem_cid: 66575
smiles: CCCCCCCCN(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C20H27N/c1-2-3-4-5-6-13-18-21(19-14-9-7-10-15-19)20-16-11-8-12-17-20/h7-12,14-17H,2-6,13,18H2,1H3


name: Amodiaquine
cas: 86-42-0
chebiid: CHEBI:2674
chemspiderid: 2080
dtxsid: DTXSID2022597
formula: C20H22Cl1N3O1
inchikey: OVCDSSHSILBFBN-UHFFFAOYSA-N
norman_susdat_id: NS00004024
pubchem_cid: 2165
smiles: CCN(CC)Cc1cc(Nc2ccnc3cc(Cl)ccc23)ccc1O
inchi:
InChI=1S/C20H22ClN3O/c1-3-24(4-2)13-14-11-16(6-8-20(14)25)23-18-9-10-22-19-12-15(21)5-7-17(18)19/h5-12,25H,3-4,13H2,1-2H3,(H,22,23)


name: Propoxycaine
cas: 86-43-1
chebiid: CHEBI:8496
chemspiderid: 6582
dtxsid: DTXSID6047866
formula: C16H26N2O3
inchikey: CAJIGINSTLKQMM-UHFFFAOYSA-N
norman_susdat_id: NS00015460
pubchem_cid: 6843
smiles: CCCOC1=C(C=CC(=C1)N)C(=O)OCCN(CC)CC
inchi:
InChI=1S/C16H26N2O3/c1-4-10-20-15-12-13(17)7-8-14(15)16(19)21-11-9-18(5-2)6-3/h7-8,12H,4-6,9-11,17H2,1-3H3


name: 1,3-Naphthalenedisulfonic acid, 7-[(4-amino-5-methoxy-2-methylphenyl)azo]-
cas: 86-63-5
chemspiderid: 21159417
dtxsid: DTXSID9058943
formula: C18H17N3O7S2
inchikey: JLVALQOIIVGPBD-UHFFFAOYSA-N
norman_susdat_id: NS00039143
pubchem_cid: 66584
smiles: COc1cc(N=Nc2cc3c(cc2)cc(cc3S(=O)(=O)O)S(=O)(=O)O)c(C)cc1N
inchi:
InChI=1S/C18H17N3O7S2/c1-10-5-15(19)17(28-2)9-16(10)21-20-12-4-3-11-6-13(29(22,23)24)8-18(14(11)7-12)30(25,26)27/h3-9H,19H2,1-2H3,(H,22,23,24)(H,25,26,27)/b21-20-


name: 1,3-Naphthalenedisulfonic acid, 7-amino-
cas: 86-65-7
chemspiderid: 6590
dtxsid: DTXSID4058944
formula: C10H9N1O6S2
inchikey: CMOLPZZVECHXKN-UHFFFAOYSA-N
norman_susdat_id: NS00039144
pubchem_cid: 6851
smiles: Nc1cc2c(cc(cc2cc1)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C10H9NO6S2/c11-7-2-1-6-3-8(18(12,13)14)5-10(9(6)4-7)19(15,16)17/h1-5H,11H2,(H,12,13,14)(H,15,16,17)


name: 1,3,6-Naphthalenetrisulfonic acid
cas: 86-66-8
chebiid: CHEBI:32916
chemspiderid: 4285
dtxsid: DTXSID9058945
formula: C10H8O9S3
inchikey: ZPBSAMLXSQCSOX-UHFFFAOYSA-N
norman_susdat_id: NS00039145
pubchem_cid: 4438
smiles: OS(=O)(=O)c1cc2cc(cc(c2cc1)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C10H8O9S3/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19)


name: Thianthrene-1,9-dicarboxylic acid
cas: 86-67-9
dtxsid: DTXSID4058946
formula: C14H8O4S2
inchikey: WKUMLCTUNDLANJ-UHFFFAOYSA-N
norman_susdat_id: NS00041289
pubchem_cid: 66586
smiles: O=C(O)C=1C=CC=C2SC3=CC=CC(C(=O)O)=C3SC21
inchi:
InChI=1/C14H8O4S2/c15-13(16)7-3-1-5-9-11(7)20-12-8(14(17)18)4-2-6-10(12)19-9/h1-6H,(H,15,16)(H,17,18)


name: Pentaquine
cas: 86-78-2
chemspiderid: 20262
dtxsid: DTXSID40235339
formula: C18H27N3O
inchikey: VKXQZROIIKPELG-UHFFFAOYSA-N
norman_susdat_id: NS00114081
pubchem_cid: 21558
smiles: COC1=CC(NCCCCCNC(C)C)=C2N=CC=CC2=C1
inchi:
InChI=1S/C18H27N3O/c1-14(2)19-9-5-4-6-10-20-17-13-16(22-3)12-15-8-7-11-21-18(15)17/h7-8,11-14,19-20H,4-6,9-10H2,1-3H3


name: Dimethisoquin
cas: 86-80-6
chebiid: CHEBI:93295
chemspiderid: 6596
dtxsid: DTXSID8048525
formula: C17H24N2O1
inchikey: XNMYNYSCEJBRPZ-UHFFFAOYSA-N
norman_susdat_id: NS00009314
pubchem_cid: 6857
smiles: CCCCc1cc2ccccc2c(OCCN(C)C)n1
inchi:
InChI=1S/C17H24N2O/c1-4-5-9-15-13-14-8-6-7-10-16(14)17(18-15)20-12-11-19(2)3/h6-8,10,13H,4-5,9,11-12H2,1-3H3


name: CI 73015
cas: 860-22-0
chebiid: CHEBI:90117
chemspiderid: 4510180
formula: C16H10N2O8S2
inchikey: CFZXDJWFRVEWSR-BUHFOSPRSA-N
norman_susdat_id: NS00013528
pubchem_cid: 5282430
smiles: [Na+].[Na+].[O-][S](=O)(=O)c1ccc2NC(/C(=O)c2c1)=C3Nc4ccc(cc4C3=O)[S]([O-])(=O)=O
inchi:
InChI=1S/C16H10N2O8S2.2Na/c19-15-9-5-7(27(21,22)23)1-3-11(9)17-13(15)14-16(20)10-6-8(28(24,25)26)2-4-12(10)18-14;;/h1-6,17-18H,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2/b14-13+;;


name: Latanoprostene Bunod
cas: 860005-21-6
formula: C27H41NO8
inchikey: LOVMMUBRQUFEAH-UIEAZXIASA-N
norman_susdat_id: NS00073072
pubchem_cid: 11156438
smiles: O=C(CCC/C=CC[C@H]1[C@@H](O)C[C@@H](O)[C@@H]1CC[C@@H](O)CCc1ccccc1)OCCCCO[N+](=O)[O-]
inchi:
InChI=1S/C27H41NO8/c29-22(15-14-21-10-4-3-5-11-21)16-17-24-23(25(30)20-26(24)31)12-6-1-2-7-13-27(32)35-18-8-9-19-36-28(33)34/h1,3-6,10-11,22-26,29-31H,2,7-9,12-20H2/b6-1-/t22-,23+,24+,25-,26+/m0/s1


name: Bis[2-[2-(nonyloxy)ethoxy]ethyl] hydrogen phosphate, compound with dodecane-1,12-diamine (2:1)
cas: 86004-23-1
dtxsid: DTXSID70235347
formula: C26H55O8P
inchikey: MRMCKXOEWGVJSP-UHFFFAOYSA-N
norman_susdat_id: NS00064833
pubchem_cid: 15751838
smiles: O=P(O)(OCCOCCOCCCCCCCCC)OCCOCCOCCCCCCCCC.O=P(O)(OCCOCCOCCCCCCCCC)OCCOCCOCCCCCCCCC.NCCCCCCCCCCCCN
inchi:
InChI=1/2C26H55O8P.C12H28N2/c2*1-3-5-7-9-11-13-15-17-29-19-21-31-23-25-33-35(27,28)34-26-24-32-22-20-30-18-16-14-12-10-8-6-4-2;13-11-9-7-5-3-1-2-4-6-8-10-12-14/h2*3-26H2,1-2H3,(H,27,28);1-14H2


name: 4,4'-(3H-2,1-Benzoxathiol-3-ylidene)bis(2,5-xylenol) S,S-dioxide, monosodium salt
cas: 86014-81-5
dtxsid: DTXSID40235354
formula: C23H21NaO5S
inchikey: BPZOAIVZMBSQDA-UHFFFAOYSA-M
norman_susdat_id: NS00093677
smiles: [Na+].CC1=CC(=C(C)C=C1O)C1(OS(=O)(=O)C2=CC=CC=C12)C1=C(C)C=C([O-])C(C)=C1
inchi:
InChI=1S/C23H22O5S.Na/c1-13-11-20(24)15(3)9-18(13)23(19-10-16(4)21(25)12-14(19)2)17-7-5-6-8-22(17)29(26,27)28-23;/h5-12,24-25H,1-4H3;/q;+1/p-1


name: (p-dodecylbenzyl)tris(2-hydroxyethyl)ammonium chloride
cas: 86014-86-0
dtxsid: DTXSID101006589
formula: C25H46NO3
inchikey: RBIHJOJBZXWDOQ-UHFFFAOYSA-M
norman_susdat_id: NS00065048
pubchem_cid: 174881
smiles: [Cl-].OCC[N+](CC1=CC=C(C=C1)CCCCCCCCCCCC)(CCO)CCO
inchi:
InChI=1/C25H46NO3.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-24-13-15-25(16-14-24)23-26(17-20-27,18-21-28)19-22-29;/h13-16,27-29H,2-12,17-23H2,1H3;1H/q+1;/p-1


name: Naronapride
cas: 860169-57-9
dtxsid: DTXSID401006590
formula: C27H41ClN4O5
inchikey: VGDDOIZXGFJDRC-VJTSUQJLSA-N
norman_susdat_id: NS00071036
pubchem_cid: 11237985
smiles: COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCN(CCCCCC(=O)O[C@H]2CN3CCC2CC3)C[C@@H]1OC
inchi:
InChI=1S/C27H41ClN4O5/c1-35-23-15-21(29)20(28)14-19(23)27(34)30-22-9-13-31(17-25(22)36-2)10-5-3-4-6-26(33)37-24-16-32-11-7-18(24)8-12-32/h14-15,18,22,24-25H,3-13,16-17,29H2,1-2H3,(H,30,34)/t22-,24+,25+/m1/s1


name: Azd7762
cas: 860352-01-8
chebiid: CHEBI:131156
formula: C17H19FN4O2S
inchikey: IAYGCINLNONXHY-LBPRGKRZSA-N
norman_susdat_id: NS00071959
pubchem_cid: 11152667
smiles: NC(=O)Nc1cc(-c2cccc(F)c2)sc1C(=O)N[C@H]1CCCNC1
inchi:
InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1


name: N-[6-(Heptafluoropropyl)-2-oxo-2H-pyran-3-yl]benzamide
cas: 860454-18-8
dtxsid: DTXSID30896271
formula: C15H8F7NO3
inchikey: OQPNDTLZZNMIPO-UHFFFAOYSA-N
norman_susdat_id: NS00110094
smiles: FC(F)(F)C(F)(F)C(F)(F)C1=CC=C(NC(=O)c2ccccc2)C(=O)O1
inchi:
InChI=1S/C15H8F7NO3/c16-13(17,14(18,19)15(20,21)22)10-7-6-9(12(25)26-10)23-11(24)8-4-2-1-3-5-8/h1-7H,(H,23,24)


name: Gadopentetate dimeglumine [USAN:USP]
cas: 86050-77-3
chebiid: CHEBI:31797
dtxsid: DTXSID70235367
formula: C28H54GdN5O20
inchikey: LGMLJQFQKXPRGA-VPVMAENOSA-K
norman_susdat_id: NS00076384
inchi:
InChI=1S/C14H23N3O10.2C7H17NO5.Gd/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;2*1-8-2-4(10)6(12)7(13)5(11)3-9;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);2*4-13H,2-3H2,1H3;/q;;;+3/p-3/t;2*4-,5+,6+,7+;/m.00./s1

smiles:
[Gd+3].CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.OC(=O)CN(CCN(CCN(CC(O)=O)CC([O-])=O)CC([O-])=O)CC([O-])=O


name: Serlopitant
cas: 860642-69-9
dtxsid: DTXSID701006599
formula: C29H28F7NO2
inchikey: FLNYCRJBCNNHRH-OIYLJQICSA-N
norman_susdat_id: NS00072590
pubchem_cid: 23653789
smiles: C[C@@H](O[C@H]1CC[C@@H]2CN(C3=CC(=O)CC3)C[C@H]2[C@@H]1c1ccc(F)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
inchi:
InChI=1S/C29H28F7NO2/c1-16(19-10-20(28(31,32)33)12-21(11-19)29(34,35)36)39-26-9-4-18-14-37(23-7-8-24(38)13-23)15-25(18)27(26)17-2-5-22(30)6-3-17/h2-3,5-6,10-13,16,18,25-27H,4,7-9,14-15H2,1H3/t16-,18-,25-,26+,27+/m1/s1


name: (Perfluorooctyl)ethyl hydrogen fumarate
cas: 86130-60-1
chemspiderid: 21165277
dtxsid: DTXSID00881013
formula: C14H7F17O4
inchikey: ULSWUGAAPQZIFJ-OWOJBTEDSA-N
norman_susdat_id: NS00019286
pubchem_cid: 56843016
smiles: OC(=O)C=CC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14H7F17O4/c15-7(16,3-4-35-6(34)2-1-5(32)33)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1-2H,3-4H2,(H,32,33)/b2-1+


name: N-phenyl-n-[1-(2-phenylethyl)-3-(prop-2-en-1-yl)piperidin-4-yl]propanamide
cas: 86151-80-6
formula: C25H32N2O
inchikey: BZXKQFFMDLTPJL-LADGPHEKSA-N
norman_susdat_id: NS00070004
pubchem_cid: 133866
smiles: C=CC[C@H]1CN(CCc2ccccc2)CC[C@H]1N(C(=O)CC)c1ccccc1
inchi:
InChI=1S/C25H32N2O/c1-3-11-22-20-26(18-16-21-12-7-5-8-13-21)19-17-24(22)27(25(28)4-2)23-14-9-6-10-15-23/h3,5-10,12-15,22,24H,1,4,11,16-20H2,2H3/t22-,24+/m0/s1


name: 1,3,5-tris[3-[bis[3-(dimethylamino)propyl]amino]-1-oxopropyl]hexahydro-1,3,5-triazine
cas: 86154-34-9
dtxsid: DTXSID70235423
formula: C42H90N12O3
inchikey: VWRMZRWDJPPJTE-UHFFFAOYSA-N
norman_susdat_id: NS00065192
pubchem_cid: 11971024
smiles: O=C(N1CN(C(=O)CCN(CCCN(C)C)CCCN(C)C)CN(C(=O)CCN(CCCN(C)C)CCCN(C)C)C1)CCN(CCCN(C)C)CCCN(C)C
inchi:
InChI=1/C42H90N12O3/c1-43(2)22-13-28-49(29-14-23-44(3)4)34-19-40(55)52-37-53(41(56)20-35-50(30-15-24-45(5)6)31-16-25-46(7)8)39-54(38-52)42(57)21-36-51(32-17-26-47(9)10)33-18-27-48(11)12/h13-39H2,1-12H3


name: N-[(benzyloxy)carbonyl]-L-valylglycyl-N-(p-nitrophenyl)-L-argininamide monoacetate
cas: 86170-43-6
formula: C27H37N8O7
inchikey: OOVPFYDKQBSPHP-IUQUCOCYSA-N
norman_susdat_id: NS00064663
pubchem_cid: 67711363
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)NCC(=O)NC(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])CCCNC(=N)N)C(C)C.O=C(O)C
inchi:
InChI=1/C27H36N8O7.C2H4O2/c1-17(2)23(34-27(39)42-16-18-7-4-3-5-8-18)25(38)31-15-22(36)33-21(9-6-14-30-26(28)29)24(37)32-19-10-12-20(13-11-19)35(40)41;1-2(3)4/h3-5,7-8,10-13,17,21,23H,6,9,14-16H2,1-2H3,(H,31,38)(H,32,37)(H,33,36)(H,34,39)(H4,28,29,30);1H3,(H,3,4)


name: N-cyclopropyl-6-[(6,7-dimethoxyquinolin-4-yl)oxy]naphthalene-1-carboxamide
cas: 861874-34-2
formula: C25H22N2O4
inchikey: ZATGFXTWDKIEKC-UHFFFAOYSA-N
norman_susdat_id: NS00071522
pubchem_cid: 11441375
smiles: COc1cc2nccc(Oc3ccc4c(C(=O)NC5CC5)cccc4c3)c2cc1OC
inchi:
InChI=1S/C25H22N2O4/c1-29-23-13-20-21(14-24(23)30-2)26-11-10-22(20)31-17-8-9-18-15(12-17)4-3-5-19(18)25(28)27-16-6-7-16/h3-5,8-14,16H,6-7H2,1-2H3,(H,27,28)


name: N-[2-[(2-chloro-4-nitrophenyl)azo]-5-[(1-methylpropyl)amino]phenyl]acetamide
cas: 86190-47-8
formula: C18H21ClN5O3
inchikey: SLMDSOHNJYMVJP-UHFFFAOYSA-N
norman_susdat_id: NS00065963
pubchem_cid: 3021098
smiles: O=C(NC1=CC(=CC=C1N=NC2=CC=C(C=C2Cl)[N+](=O)[O-])NC(C)CC)C
inchi:
InChI=1/C18H20ClN5O3/c1-4-11(2)20-13-5-7-17(18(9-13)21-12(3)25)23-22-16-8-6-14(24(26)27)10-15(16)19/h5-11,20H,4H2,1-3H3,(H,21,25)


name: Dopexamine
cas: 86197-47-9
chebiid: CHEBI:135507
chemspiderid: 50102
dtxsid: DTXSID2048666
formula: C22H32N2O2
inchikey: RYBJORHCUPVNMB-UHFFFAOYSA-N
norman_susdat_id: NS00010371
pubchem_cid: 55483
smiles: c1ccc(cc1)CCNCCCCCCNCCc2ccc(c(c2)O)O
inchi:
InChI=1S/C22H32N2O2/c25-21-11-10-20(18-22(21)26)13-17-24-15-7-2-1-6-14-23-16-12-19-8-4-3-5-9-19/h3-5,8-11,18,23-26H,1-2,6-7,12-17H2


name: 17ß-hydroxyestr-4-en-3-one 17-undecanoate
cas: 862-89-5
dtxsid: DTXSID701006644
formula: C29H46O3
inchikey: GRAAWEGTURLYKP-MVTMSODMSA-N
norman_susdat_id: NS00042534
pubchem_cid: 94193
smiles: O=C(OC1CCC2C3CCC4=CC(=O)CCC4C3CCC12C)CCCCCCCCCC
inchi:
InChI=1/C29H46O3/c1-3-4-5-6-7-8-9-10-11-28(31)32-27-17-16-26-25-14-12-21-20-22(30)13-15-23(21)24(25)18-19-29(26,27)2/h20,23-27H,3-19H2,1-2H3


name: Primisulfuron-methyl
cas: 86209-51-0
chemspiderid: 91738
dtxsid: DTXSID8032463
formula: C15H12F4N4O7S1
inchikey: ZTYVMAQSHCZXLF-UHFFFAOYSA-N
norman_susdat_id: NS00009471
pubchem_cid: 101525
smiles: COC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc1nc(OC(F)F)cc(OC(F)F)n1
eea_notation: CAS_86209-51-0
inchi:
InChI=1S/C15H12F4N4O7S/c1-28-11(24)7-4-2-3-5-8(7)31(26,27)23-15(25)22-14-20-9(29-12(16)17)6-10(21-14)30-13(18)19/h2-6,12-13H,1H3,(H2,20,21,22,23,25)


cas: 862130-66-3
dtxsid: DTXSID10896451
formula: C25H17F9N2O2
inchikey: UIANMSRJAQSTDA-UHFFFAOYSA-N
norman_susdat_id: NS00109423
smiles: Cc1cc(cc(C)c1NC(=O)c1cccc(NC(=O)c2ccc(F)cc2F)c1)C(F)(C(F)(F)F)C(F)(F)F
name:
2,4-Difluoro-N-(3-{[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl}phenyl)benzamide

inchi:
InChI=1S/C25H17F9N2O2/c1-12-8-15(23(28,24(29,30)31)25(32,33)34)9-13(2)20(12)36-21(37)14-4-3-5-17(10-14)35-22(38)18-7-6-16(26)11-19(18)27/h3-11H,1-2H3,(H,35,38)(H,36,37)


cas: 862130-67-4
dtxsid: DTXSID50896455
formula: C25H17F9N2O2
inchikey: DAQVNRRSRQBTRV-UHFFFAOYSA-N
norman_susdat_id: NS00110796
smiles: Cc1cc(cc(C)c1NC(=O)c1cccc(NC(=O)c2cc(F)ccc2F)c1)C(F)(C(F)(F)F)C(F)(F)F
name:
2,5-Difluoro-N-(3-{[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl}phenyl)benzamide

inchi:
InChI=1S/C25H17F9N2O2/c1-12-8-15(23(28,24(29,30)31)25(32,33)34)9-13(2)20(12)36-21(37)14-4-3-5-17(10-14)35-22(38)18-11-16(26)6-7-19(18)27/h3-11H,1-2H3,(H,35,38)(H,36,37)


cas: 862130-69-6
dtxsid: DTXSID10896456
formula: C25H17Cl2F7N2O2
inchikey: CQOOKANOPDEYCK-UHFFFAOYSA-N
norman_susdat_id: NS00109424
smiles: Cc1cc(cc(C)c1NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C(F)(C(F)(F)F)C(F)(F)F
name:
2,4-Dichloro-N-(3-{[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl}phenyl)benzamide

inchi:
InChI=1S/C25H17Cl2F7N2O2/c1-12-8-15(23(28,24(29,30)31)25(32,33)34)9-13(2)20(12)36-21(37)14-4-3-5-17(10-14)35-22(38)18-7-6-16(26)11-19(18)27/h3-11H,1-2H3,(H,35,38)(H,36,37)


cas: 862130-87-8
dtxsid: DTXSID30896453
formula: C25H17ClF8N2O2
inchikey: XZFAVXHLIXQXBR-UHFFFAOYSA-N
norman_susdat_id: NS00110112
smiles: Cc1cc(cc(C)c1NC(=O)c1cccc(NC(=O)c2ccc(F)cc2Cl)c1)C(F)(C(F)(F)F)C(F)(F)F
name:
2-Chloro-4-fluoro-N-(3-{[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl}phenyl)benzamide

inchi:
InChI=1S/C25H17ClF8N2O2/c1-12-8-15(23(28,24(29,30)31)25(32,33)34)9-13(2)20(12)36-21(37)14-4-3-5-17(10-14)35-22(38)18-7-6-16(27)11-19(18)26/h3-11H,1-2H3,(H,35,38)(H,36,37)


cas: 862130-90-3
dtxsid: DTXSID90896454
formula: C25H17ClF8N2O2
inchikey: HEHDCGQTAOJNNZ-UHFFFAOYSA-N
norman_susdat_id: NS00112174
smiles: Cc1cc(cc(C)c1NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2F)c1)C(F)(C(F)(F)F)C(F)(F)F
name:
4-Chloro-2-fluoro-N-(3-{[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl}phenyl)benzamide

inchi:
InChI=1S/C25H17ClF8N2O2/c1-12-8-15(23(28,24(29,30)31)25(32,33)34)9-13(2)20(12)36-21(37)14-4-3-5-17(10-14)35-22(38)18-7-6-16(26)11-19(18)27/h3-11H,1-2H3,(H,35,38)(H,36,37)


cas: 862130-91-4
dtxsid: DTXSID40896464
formula: C25H17ClF7N3O4
inchikey: PMNBKZXXUDKPHG-UHFFFAOYSA-N
norman_susdat_id: NS00110455
smiles: Cc1cc(cc(C)c1NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2[N+]([O-])=O)c1)C(F)(C(F)(F)F)C(F)(F)F
name:
4-Chloro-N-(3-{[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl}phenyl)-2-nitrobenzamide

inchi:
InChI=1S/C25H17ClF7N3O4/c1-12-8-15(23(27,24(28,29)30)25(31,32)33)9-13(2)20(12)35-21(37)14-4-3-5-17(10-14)34-22(38)18-7-6-16(26)11-19(18)36(39)40/h3-11H,1-2H3,(H,34,38)(H,35,37)


cas: 862130-95-8
dtxsid: DTXSID90896459
formula: C25H16F10N2O2
inchikey: SBOIVFWHPYGVNV-UHFFFAOYSA-N
norman_susdat_id: NS00112175
smiles: Cc1cc(cc(C)c1NC(=O)c1cccc(NC(=O)c2c(F)ccc(F)c2F)c1)C(F)(C(F)(F)F)C(F)(F)F
name:
2,3,6-Trifluoro-N-(3-{[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl}phenyl)benzamide

inchi:
InChI=1S/C25H16F10N2O2/c1-11-8-14(23(29,24(30,31)32)25(33,34)35)9-12(2)20(11)37-21(38)13-4-3-5-15(10-13)36-22(39)18-16(26)6-7-17(27)19(18)28/h3-10H,1-2H3,(H,36,39)(H,37,38)


cas: 862130-96-9
dtxsid: DTXSID20896462
formula: C25H14F12N2O2
inchikey: BQHJNOSKESPACB-UHFFFAOYSA-N
norman_susdat_id: NS00109768
smiles: Cc1cc(cc(C)c1NC(=O)c1cccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)c1)C(F)(C(F)(F)F)C(F)(F)F
name:
2,3,4,5,6-Pentafluoro-N-(3-{[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl}phenyl)benzamide

inchi:
InChI=1S/C25H14F12N2O2/c1-9-6-12(23(31,24(32,33)34)25(35,36)37)7-10(2)20(9)39-21(40)11-4-3-5-13(8-11)38-22(41)14-15(26)17(28)19(30)18(29)16(14)27/h3-8H,1-2H3,(H,38,41)(H,39,40)


cas: 862133-14-0
dtxsid: DTXSID80896468
formula: C25H16F9N3O4
inchikey: MIPUSCPBEUAWLF-UHFFFAOYSA-N
norman_susdat_id: NS00111824
smiles: Cc1cc(cc(C)c1NC(=O)c1cccc(NC(=O)c2ccc(F)cc2[N+]([O-])=O)c1F)C(F)(C(F)(F)F)C(F)(F)F
name:
2-Fluoro-3-(4-fluoro-2-nitrobenzamido)-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]benzamide

inchi:
InChI=1S/C25H16F9N3O4/c1-11-8-13(23(28,24(29,30)31)25(32,33)34)9-12(2)20(11)36-22(39)16-4-3-5-17(19(16)27)35-21(38)15-7-6-14(26)10-18(15)37(40)41/h3-10H,1-2H3,(H,35,38)(H,36,39)


cas: 862133-15-1
dtxsid: DTXSID00896460
formula: C25H16ClF9N2O2
inchikey: HBHOXSNCXYUTMG-UHFFFAOYSA-N
norman_susdat_id: NS00109061
smiles: Cc1cc(cc(C)c1NC(=O)c1cccc(NC(=O)c2ccc(F)cc2Cl)c1F)C(F)(C(F)(F)F)C(F)(F)F
name:
3-(2-Chloro-4-fluorobenzamido)-2-fluoro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]benzamide

inchi:
InChI=1S/C25H16ClF9N2O2/c1-11-8-13(23(29,24(30,31)32)25(33,34)35)9-12(2)20(11)37-22(39)16-4-3-5-18(19(16)28)36-21(38)15-7-6-14(27)10-17(15)26/h3-10H,1-2H3,(H,36,38)(H,37,39)


cas: 862133-16-2
dtxsid: DTXSID60896461
formula: C25H16ClF9N2O2
inchikey: OFVAYTVRJIBOPT-UHFFFAOYSA-N
norman_susdat_id: NS00111131
smiles: Cc1cc(cc(C)c1NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2F)c1F)C(F)(C(F)(F)F)C(F)(F)F
name:
3-(4-Chloro-2-fluorobenzamido)-2-fluoro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]benzamide

inchi:
InChI=1S/C25H16ClF9N2O2/c1-11-8-13(23(29,24(30,31)32)25(33,34)35)9-12(2)20(11)37-22(39)16-4-3-5-18(19(16)28)36-21(38)15-7-6-14(26)10-17(15)27/h3-10H,1-2H3,(H,36,38)(H,37,39)


cas: 862133-18-4
dtxsid: DTXSID40896469
formula: C25H16ClF8N3O4
inchikey: WCNBXBMCGOSLAT-UHFFFAOYSA-N
norman_susdat_id: NS00110456
smiles: Cc1cc(cc(C)c1NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2[N+]([O-])=O)c1F)C(F)(C(F)(F)F)C(F)(F)F
name:
3-(4-Chloro-2-nitrobenzamido)-2-fluoro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]benzamide

inchi:
InChI=1S/C25H16ClF8N3O4/c1-11-8-13(23(28,24(29,30)31)25(32,33)34)9-12(2)20(11)36-22(39)16-4-3-5-17(19(16)27)35-21(38)15-7-6-14(26)10-18(15)37(40)41/h3-10H,1-2H3,(H,35,38)(H,36,39)


cas: 862133-29-7
dtxsid: DTXSID70896457
formula: C25H16F10N2O2
inchikey: SDKDALZHDBASEW-UHFFFAOYSA-N
norman_susdat_id: NS00111490
smiles: Cc1cc(cc(C)c1NC(=O)c1ccc(F)c(NC(=O)c2ccc(F)cc2F)c1)C(F)(C(F)(F)F)C(F)(F)F
name:
2,4-Difluoro-N-(2-fluoro-5-{[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl}phenyl)benzamide

inchi:
InChI=1S/C25H16F10N2O2/c1-11-7-14(23(29,24(30,31)32)25(33,34)35)8-12(2)20(11)37-21(38)13-3-6-17(27)19(9-13)36-22(39)16-5-4-15(26)10-18(16)28/h3-10H,1-2H3,(H,36,39)(H,37,38)


name: 3-Benzamido-2,6-difluoro-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]benzamide
cas: 862133-36-6
dtxsid: DTXSID30896458
formula: C25H17F9N2O2
inchikey: QTMIWUZXJQMUTP-UHFFFAOYSA-N
norman_susdat_id: NS00110113
smiles: Cc1cc(cc(C)c1NC(=O)c1c(F)ccc(NC(=O)c2ccccc2)c1F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C25H17F9N2O2/c1-12-10-15(23(28,24(29,30)31)25(32,33)34)11-13(2)20(12)36-22(38)18-16(26)8-9-17(19(18)27)35-21(37)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,35,37)(H,36,38)


name: 5-Benzamido-2,4-dibromo-N-[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]benzamide
cas: 862133-37-7
dtxsid: DTXSID80896463
formula: C25H17Br2F7N2O2
inchikey: INGKWWAJPZGKLN-UHFFFAOYSA-N
norman_susdat_id: NS00111823
smiles: Cc1cc(cc(C)c1NC(=O)c1cc(NC(=O)c2ccccc2)c(Br)cc1Br)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C25H17Br2F7N2O2/c1-12-8-15(23(28,24(29,30)31)25(32,33)34)9-13(2)20(12)36-22(38)16-10-19(18(27)11-17(16)26)35-21(37)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,35,37)(H,36,38)


cas: 862134-26-7
dtxsid: DTXSID00896465
formula: C26H18F10N2O2
inchikey: MWWUKIVQAYLTRT-UHFFFAOYSA-N
norman_susdat_id: NS00109062
smiles: CN(C(=O)c1ccc(F)cc1F)c1cccc(C(=O)Nc2c(C)cc(cc2C)C(F)(C(F)(F)F)C(F)(F)F)c1F
name:
2,4-Difluoro-N-(2-fluoro-3-{[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl}phenyl)-N-methylbenzamide

inchi:
InChI=1S/C26H18F10N2O2/c1-12-9-14(24(30,25(31,32)33)26(34,35)36)10-13(2)21(12)37-22(39)17-5-4-6-19(20(17)29)38(3)23(40)16-8-7-15(27)11-18(16)28/h4-11H,1-3H3,(H,37,39)


cas: 862134-28-9
dtxsid: DTXSID50896470
formula: C26H18F9N3O4
inchikey: AMDGHCIYCBPNDR-UHFFFAOYSA-N
norman_susdat_id: NS00110797
smiles: CN(C(=O)c1ccc(F)cc1[N+]([O-])=O)c1cccc(C(=O)Nc2c(C)cc(cc2C)C(F)(C(F)(F)F)C(F)(F)F)c1F
name:
4-Fluoro-N-(2-fluoro-3-{[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl}phenyl)-N-methyl-2-nitrobenzamide

inchi:
InChI=1S/C26H18F9N3O4/c1-12-9-14(24(29,25(30,31)32)26(33,34)35)10-13(2)21(12)36-22(39)17-5-4-6-18(20(17)28)37(3)23(40)16-8-7-15(27)11-19(16)38(41)42/h4-11H,1-3H3,(H,36,39)


cas: 862134-29-0
dtxsid: DTXSID20896467
formula: C26H18ClF9N2O2
inchikey: OYWNCANTEISSJB-UHFFFAOYSA-N
norman_susdat_id: NS00109769
smiles: CN(C(=O)c1ccc(F)cc1Cl)c1cccc(C(=O)Nc2c(C)cc(cc2C)C(F)(C(F)(F)F)C(F)(F)F)c1F
name:
2-Chloro-4-fluoro-N-(2-fluoro-3-{[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl}phenyl)-N-methylbenzamide

inchi:
InChI=1S/C26H18ClF9N2O2/c1-12-9-14(24(30,25(31,32)33)26(34,35)36)10-13(2)21(12)37-22(39)17-5-4-6-19(20(17)29)38(3)23(40)16-8-7-15(28)11-18(16)27/h4-11H,1-3H3,(H,37,39)


cas: 862134-30-3
dtxsid: DTXSID60896466
formula: C26H18ClF9N2O2
inchikey: POIXCGICONBWJT-UHFFFAOYSA-N
norman_susdat_id: NS00111132
smiles: CN(C(=O)c1ccc(Cl)cc1F)c1cccc(C(=O)Nc2c(C)cc(cc2C)C(F)(C(F)(F)F)C(F)(F)F)c1F
name:
4-Chloro-2-fluoro-N-(2-fluoro-3-{[4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,6-dimethylphenyl]carbamoyl}phenyl)-N-methylbenzamide

inchi:
InChI=1S/C26H18ClF9N2O2/c1-12-9-14(24(30,25(31,32)33)26(34,35)36)10-13(2)21(12)37-22(39)17-5-4-6-19(20(17)29)38(3)23(40)16-8-7-15(27)11-18(16)28/h4-11H,1-3H3,(H,37,39)


name: 4-oxo-4-[[2-(2-oxoimidazolidin-1-yl)ethyl]amino]isocrotonic acid
cas: 86218-08-8
formula: C9H13N3O4
inchikey: FROXAXDNCMRIDL-UPHRSURJSA-N
norman_susdat_id: NS00064665
pubchem_cid: 6432977
smiles: O=C(O)C=CC(=O)NCCN1C(=O)NCC1
inchi:
InChI=1/C9H13N3O4/c13-7(1-2-8(14)15)10-3-5-12-6-4-11-9(12)16/h1-2H,3-6H2,(H,10,13)(H,11,16)(H,14,15)


name: Mirodenafil
cas: 862189-95-5
chebiid: CHEBI:136049
chemspiderid: 10173481
dtxsid: DTXSID50881265
formula: C26H37N5O5S1
inchikey: MIJFNYMSCFYZNY-UHFFFAOYSA-N
norman_susdat_id: NS00015876
pubchem_cid: 12001014
smiles: CCCC1=CN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCN(CC4)CCO)OCCC)CC
inchi:
InChI=1S/C26H37N5O5S/c1-4-7-19-18-30(6-3)24-23(19)27-25(28-26(24)33)21-17-20(8-9-22(21)36-16-5-2)37(34,35)31-12-10-29(11-13-31)14-15-32/h8-9,17-18,32H,4-7,10-16H2,1-3H3,(H,27,28,33)


name: AVE9423
cas: 862243-29-6
chemspiderid: 22376569
dtxsid: DTXSID0047375
formula: C23H12Cl2F2N2O5
inchikey: OEMJXSVJXPIFMA-UHFFFAOYSA-N
norman_susdat_id: NS00015671
pubchem_cid: 24798733
smiles: C1=CC=C(C(=C1)C(=O)O)N2C=C(C(=O)C3=CC(=C(C=C32)Cl)NC4=C(C=C(C=C4Cl)F)F)C(=O)O
inchi:
InChI=1S/C23H12Cl2F2N2O5/c24-14-8-19-12(7-17(14)28-20-15(25)5-10(26)6-16(20)27)21(30)13(23(33)34)9-29(19)18-4-2-1-3-11(18)22(31)32/h1-9,28H,(H,31,32)(H,33,34)


name: Eicosapentaenoic acid ethyl ester
cas: 86227-47-6
chebiid: CHEBI:84883
chemspiderid: 8007147
dtxsid: DTXSID7057814
formula: C22H34O2
inchikey: SSQPWTVBQMWLSZ-AAQCHOMXSA-N
norman_susdat_id: NS00018703
pubchem_cid: 9831415
smiles: CCC=CCC=CCC=CCC=CCC=CCCCC(=O)OCC
inchi:
InChI=1S/C22H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24-4-2/h5-6,8-9,11-12,14-15,17-18H,3-4,7,10,13,16,19-21H2,1-2H3/b6-5-,9-8-,12-11-,15-14-,18-17-


name: SBB058033
cas: 86236-77-3
chemspiderid: 2084548
dtxsid: DTXSID40384472
formula: C19H21N3
inchikey: PSDQOOQJPHTEIA-UHFFFAOYSA-N
norman_susdat_id: NS00016362
pubchem_cid: 2806026
smiles: C1C(CN(CN1CC2=CC=CC=C2)CC3=CC=CC=C3)C#N
inchi:
InChI=1S/C19H21N3/c20-11-19-14-21(12-17-7-3-1-4-8-17)16-22(15-19)13-18-9-5-2-6-10-18/h1-10,19H,12-16H2


cas: 86242-84-4
formula: C33H36O4S
norman_susdat_id: NS00101673
name:
Poly(oxy-1,2-ethanediyl), .alpha.-sulfo-.omega.-[tris[1-(methylphenyl)ethyl]phenoxy]-, ammonium salt


cas: 86244-36-2
formula: C31H24ClN7O10S3
inchikey: MAHODVOXZFERKN-UHFFFAOYSA-N
norman_susdat_id: NS00093000
smiles: Clc5nc(Nc3cc(cc4cc(c(N=Nc2ccc1ccccc1c2S(O)(=O)=O)c(O)c34)S(O)(=O)=O)S(O)(=O)=O)nc(n5)N(CC)c6ccccc6
name:
5-[[4-chloro-6-(ethylphenylamino)-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(1-sulpho-2-naphthyl)azo]naphthalene-2,7-disulphonic acid

inchi:
InChI=1/C31H24ClN7O10S3/c1-2-39(19-9-4-3-5-10-19)31-35-29(32)34-30(36-31)33-23-16-20(50(41,42)43)14-18-15-24(51(44,45)46)26(27(40)25(18)23)38-37-22-13-12-17-8-6-7-11-21(17)28(22)52(47,48)49/h3-16,40H,2H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,33,34,35,36)


name: Ralimetinib
cas: 862505-00-8
dtxsid: DTXSID00235456
formula: C24H29FN6
inchikey: XPPBBJCBDOEXDN-UHFFFAOYSA-N
norman_susdat_id: NS00072091
pubchem_cid: 11539025
smiles: CC(C)(C)Cn1c(N)nc2ccc(-c3[nH]c(C(C)(C)C)nc3-c3ccc(F)cc3)nc21
inchi:
InChI=1S/C24H29FN6/c1-23(2,3)13-31-20-17(28-22(31)26)12-11-16(27-20)19-18(14-7-9-15(25)10-8-14)29-21(30-19)24(4,5)6/h7-12H,13H2,1-6H3,(H2,26,28)(H,29,30)


name: (2S)-2-Pyrrolidinyl-bis(4-(perfluorooctyl)phenyl)methanol
cas: 862589-19-3
dtxsid: DTXSID40897471
formula: C33H17F34NO
inchikey: CPDFVKCJQDBKJK-INIZCTEOSA-N
norman_susdat_id: NS00110495
inchi:
InChI=1S/C33H17F34NO/c34-18(35,20(38,39)22(42,43)24(46,47)26(50,51)28(54,55)30(58,59)32(62,63)64)14-7-3-12(4-8-14)17(69,16-2-1-11-68-16)13-5-9-15(10-6-13)19(36,37)21(40,41)23(44,45)25(48,49)27(52,53)29(56,57)31(60,61)33(65,66)67/h3-10,16,68-69H,1-2,11H2/t16-/m0/s1

smiles:
[H][C@]1(CCCN1)C(O)(C1=CC=C(C=C1)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)C1=CC=C(C=C1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Lenampicillin
cas: 86273-18-9
chebiid: CHEBI:135748
chemspiderid: 59083
dtxsid: DTXSID1057901
formula: C21H23N3O7S1
inchikey: ZKUKMWMSYCIYRD-ZXFNITATSA-N
norman_susdat_id: NS00011616
pubchem_cid: 65646
smiles: Cc1c(oc(=O)o1)COC(=O)[C@H]2C(S[C@H]3N2C(=O)[C@H]3NC(=O)[C@@H](c4ccccc4)N)(C)C
inchi:
InChI=1S/C21H23N3O7S/c1-10-12(31-20(28)30-10)9-29-19(27)15-21(2,3)32-18-14(17(26)24(15)18)23-16(25)13(22)11-7-5-4-6-8-11/h4-8,13-15,18H,9,22H2,1-3H3,(H,23,25)/t13-,14-,15+,18-/m1/s1


name: ST50925188
cas: 86273-64-5
dtxsid: DTXSID10325413
formula: C10H6F14N2O2
inchikey: ZZYRMCDLVWNXGP-UHFFFAOYSA-N
norman_susdat_id: NS00109136
smiles: FC(F)(F)C(F)(F)C(F)(F)C(=O)NCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10H6F14N2O2/c11-5(12,7(15,16)9(19,20)21)3(27)25-1-2-26-4(28)6(13,14)8(17,18)10(22,23)24/h1-2H2,(H,25,27)(H,26,28)


name: (2s)-2-(biphenyl-4-yloxy)-3-phenylpropanoic acid
cas: 862901-87-9
formula: C21H18O3
inchikey: TZTPJJNNACUQQR-FQEVSTJZSA-N
norman_susdat_id: NS00070964
pubchem_cid: 11483970
smiles: O=C(O)[C@H](Cc1ccccc1)Oc1ccc(-c2ccccc2)cc1
inchi:
InChI=1S/C21H18O3/c22-21(23)20(15-16-7-3-1-4-8-16)24-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20H,15H2,(H,22,23)/t20-/m0/s1


name: Sodium N-(3-a,7-a,12-a-trihydroxy-24-oxocholan-24-yl)glycinate
cas: 863-57-0
formula: C26H43NO6.Na
inchikey: OABYVIYXWMZFFJ-IPBWKMHYSA-M
norman_susdat_id: NS00080117
inchi:
InChI=1/C26H43NO6.Na/c1-14(4-7-22(31)27-13-23(32)33)17-5-6-18-24-19(12-21(30)26(17,18)3)25(2)9-8-16(28)10-15(25)11-20(24)29;/h14-21,24,28-30H,4-13H2,1-3H3,(H,27,31)(H,32,33);/q;+1/p-1

smiles:
[Na+].C[C@H](CCC(=O)NCC(=O)[O-])[C@H]1CC[C@H]2[C@@H]3[C@H](O)CC4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C


cas: 86303-23-3
dtxsid: DTXSID70394140
formula: C42H75N3O15
inchikey: OJSUWTDDXLCUFR-HGZMBBKESA-N
norman_susdat_id: NS00073494
pubchem_cid: 446320
name:
N-[3-(4-{5,16-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0²,?.0¹¹,¹?]heptadecan-14-yl}-n-[3-(2,3,4,5,6-pentahydroxyhexanamido)propyl]pentanamido)propyl]-2,3,4,5,6-pentahydroxyhexanamide

inchi:
InChI=1S/C42H75N3O15/c1-22(26-9-10-27-25-8-7-23-18-24(48)12-13-41(23,2)28(25)19-31(51)42(26,27)3)6-11-32(52)45(16-4-14-43-39(59)37(57)35(55)33(53)29(49)20-46)17-5-15-44-40(60)38(58)36(56)34(54)30(50)21-47/h22-31,33-38,46-51,53-58H,4-21H2,1-3H3,(H,43,59)(H,44,60)/t22-,23-,24-,25+,26-,27+,28+,29-,30-,31+,33-,34-,35+,36+,37-,38-,41+,42-/m1/s1

smiles:
C[C@H](CCC(=O)N(CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@@]21C


name: Azilsartan
cas: 863031-21-4
chebiid: CHEBI:68845
dtxsid: DTXSID10235482
formula: C30H24N4O8
inchikey: QJFSABGVXDWMIW-UHFFFAOYSA-N
norman_susdat_id: NS00098965
smiles: CCOc1nc2cccc(C(=O)OCc3oc(=O)oc3C)c2n1Cc1ccc(-c2ccccc2-c2noc(=O)[nH]2)cc1
inchi:
InChI=1S/C30H24N4O8/c1-3-38-28-31-23-10-6-9-22(27(35)39-16-24-17(2)40-30(37)41-24)25(23)34(28)15-18-11-13-19(14-12-18)20-7-4-5-8-21(20)26-32-29(36)42-33-26/h4-14H,3,15-16H2,1-2H3,(H,32,33,36)


name: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluorotricosane
cas: 863126-43-6
dtxsid: DTXSID10895308
formula: C23H35F13
inchikey: SUWPKSRVVDLYGW-UHFFFAOYSA-N
norman_susdat_id: NS00109327
smiles: CCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C23H35F13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(24,25)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)36/h2-17H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoropentacosane
cas: 863126-44-7
dtxsid: DTXSID30895320
formula: C25H39F13
inchikey: UDLCDYBILHMVLL-UHFFFAOYSA-N
norman_susdat_id: NS00110019
smiles: CCCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C25H39F13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(26,27)21(28,29)22(30,31)23(32,33)24(34,35)25(36,37)38/h2-19H2,1H3


cas: 863329-69-5
chemspiderid: NA
formula: C25H35Br1O4
inchikey: NJOBSSPFBRMYST-DNLFMSLGSA-N
norman_susdat_id: NS00002887
pubchem_cid: 87167485
name:
3'H-Cycloprop[15,16]androst-15-en-17-one, 7-bromo-3-(2,2-dimethyl-1-oxopropoxy)-5,6-epoxydihydro-, (3ÃŸ,5ÃŸ,6ÃŸ,7a,15a,16a)-

inchi:
InChI=1S/C25H35BrO4/c1-22(2,3)21(28)29-12-6-9-24(5)15-7-8-23(4)17(13-10-14(13)19(23)27)16(15)18(26)20-25(24,11-12)30-20/h12-18,20H,6-11H2,1-5H3/t12-,13+,14-,15-,16+,17-,18-,20+,23-,24+,25+/m0/s1

smiles:
CC(C)(C)C(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H]([C@@H]5C[C@@H]5C4=O)[C@@H]3[C@H](Br)[C@H]3O[C@@]23C1


cas: 863408-19-9
dtxsid: DTXSID00882742
norman_susdat_id: NS00108901
name:
Poly2-(N,N-diethylamino)ethyl methacrylate-co-(3,6-dioxaoctan-1,8-diyl dimethacrylate)-co-(2-hydroxyethyl methacrylate)-co-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-yl methacrylate)


cas: 863434-13-3
formula: C19H18FN3O4
inchikey: QWLNINWUBHHOLU-UHFFFAOYSA-N
norman_susdat_id: NS00073316
pubchem_cid: 54718859
smiles: Cn1c(=O)c(C(=O)NCCO)c(O)c2ncc(Cc3ccc(F)cc3)cc21
name:
7-[(4-fluorophenyl)methyl]-4-hydroxy-n-(2-hydroxyethyl)-1-methyl-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide

inchi:
InChI=1S/C19H18FN3O4/c1-23-14-9-12(8-11-2-4-13(20)5-3-11)10-22-16(14)17(25)15(19(23)27)18(26)21-6-7-24/h2-5,9-10,24-25H,6-8H2,1H3,(H,21,26)


name: Cebranopadol
cas: 863513-91-1
formula: C24H27FN2O
inchikey: CSMVOZKEWSOFER-UHFFFAOYSA-N
norman_susdat_id: NS00069647
pubchem_cid: 11848225
smiles: CN(C)C1(c2ccccc2)CCC2(CC1)OCCc1c2[nH]c2ccc(F)cc12
inchi:
InChI=1S/C24H27FN2O/c1-27(2)23(17-6-4-3-5-7-17)11-13-24(14-12-23)22-19(10-15-28-24)20-16-18(25)8-9-21(20)26-22/h3-9,16,26H,10-15H2,1-2H3


name: Triacetylganciclovir
cas: 86357-14-4
chemspiderid: 8309936
dtxsid: DTXSID20436089
formula: C15H19N5O7
inchikey: PEZKHGVZZSQDPY-UHFFFAOYSA-N
norman_susdat_id: NS00006971
pubchem_cid: 10134423
smiles: CC(=O)Nc1nc(=O)c2ncn(COC(COC(C)=O)COC(C)=O)c2[nH]1
inchi:
InChI=1S/C15H19N5O7/c1-8(21)17-15-18-13-12(14(24)19-15)16-6-20(13)7-27-11(4-25-9(2)22)5-26-10(3)23/h6,11H,4-5,7H2,1-3H3,(H2,17,18,19,21,24)


name: Hexacosyloxirane
cas: 86370-24-3
dtxsid: DTXSID201006770
formula: C28H56O
inchikey: MBJVZMPEPVSKAS-UHFFFAOYSA-N
norman_susdat_id: NS00064666
pubchem_cid: 5744013
smiles: O1CC1CCCCCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C28H56O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-27-29-28/h28H,2-27H2,1H3


name: Tetracosyloxirane
cas: 86370-25-4
formula: C26H52O
inchikey: VHAXNXDRZSLKOX-UHFFFAOYSA-N
norman_susdat_id: NS00065964
pubchem_cid: 5744014
smiles: O1CC1CCCCCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C26H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-25-27-26/h26H,2-25H2,1H3


name: Propafenone-N-Desmethyl
cas: 86383-21-3
chemspiderid: 114154
dtxsid: DTXSID001006774
formula: C18H21NO3
inchikey: HIGKMVIPYOFHBP-UHFFFAOYSA-N
norman_susdat_id: NS00100971
pubchem_cid: 128820
smiles: c1ccc(cc1)CCC(=O)c2ccccc2OCC(CN)O
inchi:
InChI=1S/C18H21NO3/c19-12-15(20)13-22-18-9-5-4-8-16(18)17(21)11-10-14-6-2-1-3-7-14/h1-9,15,20H,10-13,19H2


name: Fluconazole
cas: 86386-73-4
chebiid: CHEBI:46081
chemspiderid: 3248
dtxsid: DTXSID3020627
formula: C13H12F2N6O1
inchikey: RFHAOTPXVQNOHP-UHFFFAOYSA-N
norman_susdat_id: NS00000281
pubchem_cid: 3365
smiles: OC(CN1C=NC=N1)(CN1C=NC=N1)C1=C(F)C=C(F)C=C1
eea_notation: CAS_86386-73-4
inchi:
InChI=1S/C13H12F2N6O/c14-10-1-2-11(12(15)3-10)13(22,4-20-8-16-6-18-20)5-21-9-17-7-19-21/h1-3,6-9,22H,4-5H2


name: Ciprofloxacin hydrochloride hydrate (1:1:1)
cas: 86393-32-0
chebiid: CHEBI:59936
dtxsid: DTXSID00273974
formula: C17H21ClFN3O4
inchikey: ARPUHYJMCVWYCZ-UHFFFAOYSA-N
norman_susdat_id: NS00076149
smiles: O.Cl.OC(=O)C1=CN(C2CC2)C2=CC(N3CCNCC3)=C(F)C=C2C1=O
inchi:
InChI=1S/C17H18FN3O3.ClH.H2O/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24;;/h7-10,19H,1-6H2,(H,23,24);1H;1H2


name: Amifloxacin
cas: 86393-37-5
chebiid: CHEBI:169231
chemspiderid: 50111
dtxsid: DTXSID20235519
formula: C16H19F1N4O3
inchikey: RUXPNBWPIRDVTH-UHFFFAOYSA-N
norman_susdat_id: NS00011868
pubchem_cid: 55492
smiles: CNn1cc(c(=O)c2c1cc(c(c2)F)N3CCN(CC3)C)C(=O)O
inchi:
InChI=1S/C16H19FN4O3/c1-18-21-9-11(16(23)24)15(22)10-7-12(17)14(8-13(10)21)20-5-3-19(2)4-6-20/h7-9,18H,3-6H2,1-2H3,(H,23,24)


name: Mafodotin
cas: 863971-19-1
formula: C49H76N6O11
inchikey: ORFNVPGICPYLJV-YTVPMEHESA-N
norman_susdat_id: NS00073453
pubchem_cid: 56949327
inchi:
InChI=1S/C49H76N6O11/c1-12-32(6)44(37(65-10)29-41(59)54-27-19-22-36(54)45(66-11)33(7)46(60)50-35(49(63)64)28-34-20-15-13-16-21-34)53(9)48(62)42(30(2)3)51-47(61)43(31(4)5)52(8)38(56)23-17-14-18-26-55-39(57)24-25-40(55)58/h13,15-16,20-21,24-25,30-33,35-37,42-45H,12,14,17-19,22-23,26-29H2,1-11H3,(H,50,60)(H,51,61)(H,63,64)/t32-,33+,35-,36-,37+,42-,43-,44-,45+/m0/s1

smiles:
CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)CCCCCN1C(=O)C=CC1=O)C(C)C


name: Tris(p-tert-pentylphenyl) phosphite
cas: 864-56-2
dtxsid: DTXSID601006803
formula: C33H45O3P
inchikey: XGYJGDTVZLADOZ-UHFFFAOYSA-N
norman_susdat_id: NS00042535
pubchem_cid: 70074
smiles: O(C1=CC=C(C=C1)C(C)(C)CC)P(OC2=CC=C(C=C2)C(C)(C)CC)OC3=CC=C(C=C3)C(C)(C)CC
inchi:
InChI=1/C33H45O3P/c1-10-31(4,5)25-13-19-28(20-14-25)34-37(35-29-21-15-26(16-22-29)32(6,7)11-2)36-30-23-17-27(18-24-30)33(8,9)12-3/h13-24H,10-12H2,1-9H3


name: Methylprednisolone aceponate
cas: 86401-95-8
chebiid: CHEBI:135762
chemspiderid: 56717
dtxsid: DTXSID2023301
formula: C27H36O7
inchikey: DALKLAYLIPSCQL-YPYQNWSCSA-N
norman_susdat_id: NS00005423
pubchem_cid: 63019
smiles: CCC(=O)O[C@@]1(CC[C@H]2[C@@H]3C[C@H](C)C4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C)C(=O)COC(C)=O
inchi:
InChI=1S/C27H36O7/c1-6-23(32)34-27(22(31)14-33-16(3)28)10-8-19-18-11-15(2)20-12-17(29)7-9-25(20,4)24(18)21(30)13-26(19,27)5/h7,9,12,15,18-19,21,24,30H,6,8,10-11,13-14H2,1-5H3/t15-,18-,19-,21-,24+,25-,26-,27-/m0/s1


cas: 86403-32-9
norman_susdat_id: NS00074334
name:
A mixture of: 2,2,6,6-tetramethylpiperidin-4-yl-hexadecanoate; 2,2,6,6-tetramethylpiperidin-4-yl-octadecanoate


name: Empagliflozin
cas: 864070-44-0
chemspiderid: 10123957
formula: C23H27Cl1O7
inchikey: OBWASQILIWPZMG-UHFFFAOYSA-N
norman_susdat_id: NS00040667
pubchem_cid: 11949646
smiles: OCC1OC(C(O)C(O)C1O)c1ccc(Cl)c(Cc2ccc(OC3CCOC3)cc2)c1
inchi:
InChI=1S/C23H27ClO7/c24-18-6-3-14(23-22(28)21(27)20(26)19(11-25)31-23)10-15(18)9-13-1-4-16(5-2-13)30-17-7-8-29-12-17/h1-6,10,17,19-23,25-28H,7-9,11-12H2


name: Perfluorooctanoic acid-1,2-13C2
cas: 864071-08-9
dtxsid: DTXSID80896968
formula: C6[13C]2HF15O2
inchikey: SNGREZUHAYWORS-ZDOIIHCHSA-N
norman_susdat_id: NS00111853
smiles: O[13C](=O)[13C](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/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)/i1+1,2+1


name: Pentadecafluoro(1-13C)octanoic acid
cas: 864071-09-0
dtxsid: DTXSID70892570
formula: C7[13C]HF15O2
inchikey: SNGREZUHAYWORS-OUBTZVSYSA-N
norman_susdat_id: NS00111362
smiles: O[13C](=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/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)/i1+1


cas: 86408-44-8
chemspiderid: 139807
dtxsid: DTXSID40235531
formula: C19H22N2O3S1
inchikey: HNXJRKQNTGIDDU-UHFFFAOYSA-N
norman_susdat_id: NS00040750
pubchem_cid: 158945
smiles: CNCCN1c2ccccc2SC(C(O)C1=O)c1ccc(OC)cc1
name:
1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-hydroxy-2-(4-methoxyphenyl)-5-(2-(methylamino)ethyl)-, (2S,3S)-

inchi:
InChI=1S/C19H22N2O3S/c1-20-11-12-21-15-5-3-4-6-16(15)25-18(17(22)19(21)23)13-7-9-14(24-2)10-8-13/h3-10,17-18,20,22H,11-12H2,1-2H3


name: (1R,2R)-N,N'-bis(Perfluorooctanoyl)-1,2-cyclohexanediamine
cas: 864149-62-2
dtxsid: DTXSID60897473
formula: C22H12F30N2O2
inchikey: LLSBOJTWEURFBT-PHDIDXHHSA-N
norman_susdat_id: NS00111174
inchi:
InChI=1S/C22H12F30N2O2/c23-9(24,11(27,28)13(31,32)15(35,36)17(39,40)19(43,44)21(47,48)49)7(55)53-5-3-1-2-4-6(5)54-8(56)10(25,26)12(29,30)14(33,34)16(37,38)18(41,42)20(45,46)22(50,51)52/h5-6H,1-4H2,(H,53,55)(H,54,56)/t5-,6-/m1/s1

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)N[C@@H]1CCCC[C@H]1NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Sodium 1,4-diicosyl sulphonatosuccinate
cas: 86415-32-9
dtxsid: DTXSID101006822
formula: C44H86O7S
inchikey: QOAKRQDIGIEPDU-UHFFFAOYSA-M
norman_susdat_id: NS00065213
pubchem_cid: 3021109
smiles: [Na+].O=C(OCCCCCCCCCCCCCCCCCCCC)CC(C(=O)OCCCCCCCCCCCCCCCCCCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C44H86O7S.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-50-43(45)41-42(52(47,48)49)44(46)51-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2;/h42H,3-41H2,1-2H3,(H,47,48,49);/q;+1/p-1


cas: 86422-58-4
formula: C27H24N4O6
inchikey: ZNTJXAOPPBGMTI-UHFFFAOYSA-N
norman_susdat_id: NS00064667
pubchem_cid: 3021110
smiles: O=C(OCCOC=1C=CC=CC1)C2=CC=C(N=NC3C(=O)N(N=C3C(=O)OCC)C=4C=CC=CC4)C=C2
name:
Ethyl 4,5-dihydro-5-oxo-4-[[4-[(2-phenoxyethoxy)carbonyl]phenyl]azo]-1-phenyl-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C27H24N4O6/c1-2-35-27(34)24-23(25(32)31(30-24)21-9-5-3-6-10-21)29-28-20-15-13-19(14-16-20)26(33)37-18-17-36-22-11-7-4-8-12-22/h3-16,23H,2,17-18H2,1H3


name: 2,4-dihydro-4-[(3-methoxyphenyl)azo]-5-methyl-2-phenyl-3H-pyrazol-3-one
cas: 86427-68-1
formula: C17H16N4O2
inchikey: JLXUFXYSMWPCQF-UHFFFAOYSA-N
norman_susdat_id: NS00065214
pubchem_cid: 3021111
smiles: O=C1N(N=C(C)C1N=NC2=CC=CC(OC)=C2)C=3C=CC=CC3
inchi:
InChI=1/C17H16N4O2/c1-12-16(19-18-13-7-6-10-15(11-13)23-2)17(22)21(20-12)14-8-4-3-5-9-14/h3-11,16H,1-2H3


name: Benzoic acid, 2-[(octadecylamino)carbonyl]-, monosodium salt
cas: 86432-23-7
chemspiderid: 2287809
dtxsid: DTXSID5072931
formula: C26H43N1O3
inchikey: VYXDHSFJQDZLMW-UHFFFAOYSA-N
norman_susdat_id: NS00014088
pubchem_cid: 3021113
smiles: [Na+].CCCCCCCCCCCCCCCCCCNC(=O)c1ccccc1C([O-])=O
inchi:
InChI=1S/C26H43NO3.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-27-25(28)23-20-17-18-21-24(23)26(29)30;/h17-18,20-21H,2-16,19,22H2,1H3,(H,27,28)(H,29,30);/q;+1/p-1


name: JWH-167
cas: 864445-37-4
chemspiderid: 23256084
dtxsid: DTXSID20235554
formula: C21H23N1O1
inchikey: AMCPOEOUXQWESI-UHFFFAOYSA-N
norman_susdat_id: NS00017418
pubchem_cid: 44397502
smiles: CCCCCN1C=C(C2=CC=CC=C21)C(=O)CC3=CC=CC=C3
inchi:
InChI=1S/C21H23NO/c1-2-3-9-14-22-16-19(18-12-7-8-13-20(18)22)21(23)15-17-10-5-4-6-11-17/h4-8,10-13,16H,2-3,9,14-15H2,1H3


name: JWH-251
cas: 864445-39-6
chemspiderid: 9791472
dtxsid: DTXSID80235555
formula: C22H25N1O1
inchikey: YBIPNGRKUAVSBG-UHFFFAOYSA-N
norman_susdat_id: NS00017655
pubchem_cid: 11616723
smiles: CCCCCN1C=C(C2=CC=CC=C21)C(=O)CC3=CC=CC=C3C
inchi:
InChI=1S/C22H25NO/c1-3-4-9-14-23-16-20(19-12-7-8-13-21(19)23)22(24)15-18-11-6-5-10-17(18)2/h5-8,10-13,16H,3-4,9,14-15H2,1-2H3


name: JWH-250
cas: 864445-43-2
chemspiderid: 23256117
dtxsid: DTXSID40235556
formula: C22H25N1O2
inchikey: FFLSJIQJQKDDCM-UHFFFAOYSA-N
norman_susdat_id: NS00002333
pubchem_cid: 44397540
smiles: CCCCCn1cc(C(=O)Cc2ccccc2OC)c2ccccc12
inchi:
InChI=1S/C22H25NO2/c1-3-4-9-14-23-16-19(18-11-6-7-12-20(18)23)21(24)15-17-10-5-8-13-22(17)25-2/h5-8,10-13,16H,3-4,9,14-15H2,1-2H3


name: JWH-302
cas: 864445-45-4
chemspiderid: 9668546
dtxsid: DTXSID60467554
formula: C22H25N1O2
inchikey: XZVYWLVYUAQEIM-UHFFFAOYSA-N
norman_susdat_id: NS00017322
pubchem_cid: 11493740
smiles: CCCCCN1C=C(C2=CC=CC=C21)C(=O)CC3=CC(=CC=C3)OC
inchi:
InChI=1S/C22H25NO2/c1-3-4-7-13-23-16-20(19-11-5-6-12-21(19)23)22(24)15-17-9-8-10-18(14-17)25-2/h5-6,8-12,14,16H,3-4,7,13,15H2,1-2H3


name: 2-(4-Methoxyphenyl)-1-(1-pentyl-1H-indol-3-yl)ethan-1-one
cas: 864445-47-6
chemspiderid: 23256220
dtxsid: DTXSID90658736
formula: C22H25N1O2
inchikey: KQRKUKYSZPHOKC-UHFFFAOYSA-N
norman_susdat_id: NS00017531
pubchem_cid: 44397641
smiles: CCCCCN1C=C(C2=CC=CC=C21)C(=O)CC3=CC=C(C=C3)OC
inchi:
InChI=1S/C22H25NO2/c1-3-4-7-14-23-16-20(19-8-5-6-9-21(19)23)22(24)15-17-10-12-18(25-2)13-11-17/h5-6,8-13,16H,3-4,7,14-15H2,1-2H3


name: JWH-203
cas: 864445-54-5
chemspiderid: 23256082
dtxsid: DTXSID00235557
formula: C21H22Cl1N1O1
inchikey: YDINKDBAZJOSLV-UHFFFAOYSA-N
norman_susdat_id: NS00004808
pubchem_cid: 44397500
smiles: CCCCCn1cc(C(=O)Cc2ccccc2Cl)c2ccccc12
inchi:
InChI=1S/C21H22ClNO/c1-2-3-8-13-23-15-18(17-10-5-7-12-20(17)23)21(24)14-16-9-4-6-11-19(16)22/h4-7,9-12,15H,2-3,8,13-14H2,1H3


name: 2-(2-Bromophenyl)-1-(1-pentyl-1H-indol-3-yl)ethan-1-one
cas: 864445-60-3
chemspiderid: 23253217
dtxsid: DTXSID30658735
formula: C21H22Br1N1O1
inchikey: CGQRVOHECAULLB-UHFFFAOYSA-N
norman_susdat_id: NS00017335
pubchem_cid: 44397335
smiles: CCCCCN1C=C(C2=CC=CC=C21)C(=O)CC3=CC=CC=C3Br
inchi:
InChI=1S/C21H22BrNO/c1-2-3-8-13-23-15-18(17-10-5-7-12-20(17)23)21(24)14-16-9-4-6-11-19(16)22/h4-7,9-12,15H,2-3,8,13-14H2,1H3


name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl beta-D-glucopyranosiduronic acid
cas: 864551-34-8
dtxsid: DTXSID50858139
formula: C16H13F17O7
inchikey: UZMXIMHOMUBIEV-UQGZVRACSA-N
norman_susdat_id: NS00110589
inchi:
InChI=1S/C16H13F17O7/c17-9(18,1-2-39-8-5(36)3(34)4(35)6(40-8)7(37)38)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h3-6,8,34-36H,1-2H2,(H,37,38)/t3-,4-,5+,6-,8+/m0/s1

smiles:
O[C@@H]1[C@@H](O)[C@H](OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[C@@H]([C@H]1O)C(O)=O


name: 10:2 Fluorotelomer aldehyde
cas: 864551-38-2
chemspiderid: 16787170
formula: C12H3F21O1
inchikey: DFKYJTGKLKVXAB-UHFFFAOYSA-N
norman_susdat_id: NS00011078
pubchem_cid: 20111611
smiles: C(C=O)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
inchi:
InChI=1S/C12H3F21O/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h2H,1H2


name: 10:2 Fluorotelomer unsaturated aldehyde
cas: 864551-40-6
chemspiderid: 16787172
formula: C12H2F20O1
inchikey: CUXBFMXZUCCELK-IWQZZHSRSA-N
norman_susdat_id: NS00011097
pubchem_cid: 20111613
smiles: C(=C(/C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F)C=O
inchi:
InChI=1S/C12H2F20O/c13-3(1-2-33)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)12(30,31)32/h1-2H/b3-1-


name: 2-Methoxyoestra-1,3,5(10),16-tetraene-3-carboxamide
cas: 864668-87-1
dtxsid: DTXSID40235571
formula: C20H25NO2
inchikey: YQJWOUQGXATDAE-ACNBBOPNSA-N
norman_susdat_id: NS00072501
smiles: COc1cc2c(cc1C(N)=O)CC[C@@H]1[C@@H]2CC[C@]2(C)C=CC[C@@H]12
inchi:
InChI=1S/C20H25NO2/c1-20-8-3-4-17(20)14-6-5-12-10-16(19(21)22)18(23-2)11-15(12)13(14)7-9-20/h3,8,10-11,13-14,17H,4-7,9H2,1-2H3,(H2,21,22)/t13-,14+,17-,20-/m0/s1


name: Hexaflumuron
cas: 86479-06-3
chebiid: CHEBI:39383
chemspiderid: 82839
dtxsid: DTXSID3032620
formula: C16H8Cl2F6N2O3
inchikey: RGNPBRKPHBKNKX-UHFFFAOYSA-N
norman_susdat_id: NS00002470
pubchem_cid: 91741
smiles: FC(F)C(F)(F)Oc1c(Cl)cc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl
inchi:
InChI=1S/C16H8Cl2F6N2O3/c17-7-4-6(5-8(18)12(7)29-16(23,24)14(21)22)25-15(28)26-13(27)11-9(19)2-1-3-10(11)20/h1-5,14H,(H2,25,26,27,28)


name: Resminostat
cas: 864814-88-0
dtxsid: DTXSID50235587
formula: C16H19N3O4S
inchikey: FECGNJPYVFEKOD-VMPITWQZSA-N
norman_susdat_id: NS00071035
pubchem_cid: 11609955
smiles: CN(C)Cc1ccc(S(=O)(=O)n2ccc(/C=C/C(=O)NO)c2)cc1
inchi:
InChI=1S/C16H19N3O4S/c1-18(2)11-13-3-6-15(7-4-13)24(22,23)19-10-9-14(12-19)5-8-16(20)17-21/h3-10,12,21H,11H2,1-2H3,(H,17,20)/b8-5+


name: Eluxadoline
cas: 864821-90-9
chebiid: CHEBI:85980
dtxsid: DTXSID70235589
formula: C32H35N5O5
inchikey: QFNHIDANIVGXPE-FNZWTVRRSA-N
norman_susdat_id: NS00067979
smiles: COC1=C(C=C(CN([C@@H](C)C2=NC=C(N2)C2=CC=CC=C2)C(=O)[C@@H](N)CC2=C(C)C=C(C=C2C)C(N)=O)C=C1)C(O)=O
inchi:
InChI=1S/C32H35N5O5/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41)/t20-,26-/m0/s1


name: Fostemsavir
cas: 864953-29-7
dtxsid: DTXSID40235596
formula: C25H26N7O8P
inchikey: SWMDAPWAQQTBOG-UHFFFAOYSA-N
norman_susdat_id: NS00071059
pubchem_cid: 11319217
smiles: COc1cnc(-n2cnc(C)n2)c2c1c(C(=O)C(=O)N1CCN(C(=O)c3ccccc3)CC1)cn2COP(=O)(O)O
inchi:
InChI=1S/C25H26N7O8P/c1-16-27-14-32(28-16)23-21-20(19(39-2)12-26-23)18(13-31(21)15-40-41(36,37)38)22(33)25(35)30-10-8-29(9-11-30)24(34)17-6-4-3-5-7-17/h3-7,12-14H,8-11,15H2,1-2H3,(H2,36,37,38)


name: Methoserpidine
cas: 865-04-3
chebiid: CHEBI:135848
formula: C33H40N2O9
inchikey: ULBNWNUHGJLQHO-VKMIBBQISA-N
norman_susdat_id: NS00042536
pubchem_cid: 71798
smiles: O=C(OC1CC2CN3CCC=4C=5C=C(OC)C=CC5NC4C3CC2C(C(=O)OC)C1OC)C6=CC(OC)=C(OC)C(OC)=C6
inchi:
InChI=1/C33H40N2O9/c1-38-19-7-8-23-22(14-19)20-9-10-35-16-18-13-27(44-32(36)17-11-25(39-2)30(41-4)26(12-17)40-3)31(42-5)28(33(37)43-6)21(18)15-24(35)29(20)34-23/h7-8,11-12,14,18,21,24,27-28,31,34H,9-10,13,15-16H2,1-6H3


name: Vinblastine
cas: 865-21-4
chebiid: CHEBI:27375
chemspiderid: 211446
dtxsid: DTXSID8021430
formula: C46H58N4O9
inchikey: JXLYSJRDGCGARV-XQKSVPLYSA-N
norman_susdat_id: NS00003095
pubchem_cid: 241903
inchi:
InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37+,38-,39-,42+,43-,44-,45+,46+/m1/s1

smiles:
CC[C@]1(O)C[C@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC


name: 9-Chloro-perfluorononanoic acid
cas: 865-79-2
chemspiderid: 2062628
dtxsid: DTXSID30382104
formula: C9H1Cl1F16O2
inchikey: QDGYPYFSHOUVLE-UHFFFAOYSA-N
norman_susdat_id: NS00019292
pubchem_cid: 2782473
smiles: OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)Cl
inchi:
InChI=1S/C9HClF16O2/c10-9(25,26)8(23,24)7(21,22)6(19,20)5(17,18)4(15,16)3(13,14)2(11,12)1(27)28/h(H,27,28)


name: Perfluoro-1,10-decanedicarboxylic acid
cas: 865-85-0
chemspiderid: 2056382
dtxsid: DTXSID60379789
formula: C12H2F20O4
inchikey: PJXYUQMFTNTTLI-UHFFFAOYSA-N
norman_susdat_id: NS00019293
pubchem_cid: 2776058
smiles: OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(O)=O
inchi:
InChI=1S/C12H2F20O4/c13-3(14,1(33)34)5(17,18)7(21,22)9(25,26)11(29,30)12(31,32)10(27,28)8(23,24)6(19,20)4(15,16)2(35)36/h(H,33,34)(H,35,36)


name: 10:2 Fluorotelomer alcohol
cas: 865-86-1
chemspiderid: 63272
dtxsid: DTXSID2029905
formula: C12H5F21O1
inchikey: FLXYIZWPNQYPIT-UHFFFAOYSA-N
norman_susdat_id: NS00009618
pubchem_cid: 70083
smiles: OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H5F21O/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h34H,1-2H2


name: Hokbusine A
cas: 86500-43-8
chebiid: CHEBI:132632
chemspiderid: 24832661
formula: C32H45NO10
inchikey: GPKLKIFNFCDMHE-KYSNEVMMSA-N
norman_susdat_id: NS00094343
pubchem_cid: 21243508
smiles:
CN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6OC(=O)C7=CC=CC=C7)([C@H]([C@@H]5O)OC)O)OC)OC)OC)O)COC


name: Perfluoroundecane
cas: 86508-42-1
chemspiderid: 459752
formula: C11F24
inchikey: VCIVYCHKSHULON-UHFFFAOYSA-N
norman_susdat_id: NS00003044
pubchem_cid: 527539
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11F24/c12-1(13,2(14,15)4(18,19)6(22,23)8(26,27)10(30,31)32)3(16,17)5(20,21)7(24,25)9(28,29)11(33,34)35


name: Perfluorohexanesulfinate zinc salt
cas: 86525-30-6
dtxsid: DTXSID90897002
formula: C12F26O4S2Zn
inchikey: FERFSNBXEOUUGP-UHFFFAOYSA-L
norman_susdat_id: NS00112206
inchi:
InChI=1S/2C6HF13O2S.Zn/c2*7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)22(20)21;/h2*(H,20,21);/q;;+2/p-2

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


cas: 865311-47-3
dtxsid: DTXSID001006893
formula: C35H33FN6O3
inchikey: WOQIDNWTQOYDLF-RPWUZVMVSA-N
norman_susdat_id: NS00073415
smiles: CN1CCC[C@H]1CCNC(=O)c1cn2c3cc4ccccc4cc3oc3c(N4CC[C@@H](c5cnccn5)C4)c(F)cc(c1=O)c32
name:
5-Fluoro-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-oxo-6-[3-(pyrazin-2-yl)pyrrolidin-1-yl]-3H-benzo[b]pyrido[3,2,1-kl]phenoxazine-2-carboximidic acid

inchi:
InChI=1S/C35H33FN6O3/c1-40-13-4-7-24(40)8-10-39-35(44)26-20-42-29-15-21-5-2-3-6-22(21)16-30(29)45-34-31(42)25(33(26)43)17-27(36)32(34)41-14-9-23(19-41)28-18-37-11-12-38-28/h2-3,5-6,11-12,15-18,20,23-24H,4,7-10,13-14,19H2,1H3,(H,39,44)/t23-,24+/m1/s1


name: 5-(2-Phenylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-c]pyridazin-3-amine
cas: 865362-74-9
chebiid: CHEBI:91383
dtxsid: DTXSID30693489
formula: C18H13N7
inchikey: XVECMUKVOMUNLE-UHFFFAOYSA-N
norman_susdat_id: NS00071823
pubchem_cid: 11493598
smiles: Nc1[nH]nc2nnc(-c3c(-c4ccccc4)nn4ccccc34)cc12
inchi:
InChI=1S/C18H13N7/c19-17-12-10-13(20-22-18(12)23-21-17)15-14-8-4-5-9-25(14)24-16(15)11-6-2-1-3-7-11/h1-10H,(H3,19,21,22,23)


name: Benazepril
cas: 86541-75-5
chebiid: CHEBI:3011
chemspiderid: 4514935
dtxsid: DTXSID5022645
formula: C24H28N2O5
inchikey: XPCFTKFZXHTYIP-PMACEKPBSA-N
norman_susdat_id: NS00010378
pubchem_cid: 40466887
smiles: CCOC(=O)[C@H](CCc1ccccc1)N[C@H]2CCc3ccccc3N(C2=O)CC(=O)O
inchi:
InChI=1S/C24H28N2O5/c1-2-31-24(30)20(14-12-17-8-4-3-5-9-17)25-19-15-13-18-10-6-7-11-21(18)26(23(19)29)16-22(27)28/h3-11,19-20,25H,2,12-16H2,1H3,(H,27,28)/t19-,20-/m0/s1


name: Benazeprilat
cas: 86541-78-8
chebiid: CHEBI:88200
chemspiderid: 4576478
formula: C22H24N2O5
inchikey: MADRIHWFJGRSBP-ROUUACIJSA-N
norman_susdat_id: NS00004373
pubchem_cid: 5463984
smiles: OC(=O)CN1c2ccccc2CC[C@H](N[C@@H](CCc2ccccc2)C(O)=O)C1=O
inchi:
InChI=1S/C22H24N2O5/c25-20(26)14-24-19-9-5-4-8-16(19)11-13-17(21(24)27)23-18(22(28)29)12-10-15-6-2-1-3-7-15/h1-9,17-18,23H,10-14H2,(H,25,26)(H,28,29)/t17-,18-/m0/s1


name: Cyfluthrin Isomer 1
cas: 86560-92-1
chemspiderid: 45482
dtxsid: DTXSID3048108
formula: C22H18Cl2FNO3
inchikey: QQODLKZGRKWIFG-QSFXBCCZSA-N
norman_susdat_id: NS00066933
pubchem_cid: 50153
smiles: CC1([C@H]([C@H]1C(=O)O[C@@H](C#N)c2ccc(c(c2)Oc3ccccc3)F)C=C(Cl)Cl)C
inchi:
InChI=1S/C22H18Cl2FNO3/c1-22(2)15(11-19(23)24)20(22)21(27)29-18(12-26)13-8-9-16(25)17(10-13)28-14-6-4-3-5-7-14/h3-11,15,18,20H,1-2H3/t15-,18-,20-/m0/s1


name: 1,1-Di-(4-methoxyphenyl)-1-[4-(1H,1H,2H,2H-perfluorodecyl)phenyl]methyl chloride
cas: 865758-36-7
chemspiderid: 9731614
dtxsid: DTXSID00468500
formula: C31H22Cl1F17O2
inchikey: BYTTZNJBGFBIDO-UHFFFAOYSA-N
norman_susdat_id: NS00019290
pubchem_cid: 11556836
inchi:
InChI=1S/C31H22ClF17O2/c1-50-21-11-7-19(8-12-21)24(32,20-9-13-22(51-2)14-10-20)18-5-3-17(4-6-18)15-16-23(33,34)25(35,36)26(37,38)27(39,40)28(41,42)29(43,44)30(45,46)31(47,48)49/h3-14H,15-16H2,1-2H3

smiles:
COC1=CC=C(C=C1)C(Cl)(C1=CC=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1)C1=CC=C(OC)C=C1


name: 1-(Chloro[4-(2-(perfluorooctyl)ethyl)phenyl]phenylmethyl)-4-methoxybenzene
cas: 865758-37-8
chemspiderid: 17345679
dtxsid: DTXSID00584835
formula: C30H20Cl1F17O1
inchikey: FSYYFUVFEYRUHN-UHFFFAOYSA-N
norman_susdat_id: NS00019291
pubchem_cid: 16218243
inchi:
InChI=1S/C30H20ClF17O/c1-49-21-13-11-20(12-14-21)23(31,18-5-3-2-4-6-18)19-9-7-17(8-10-19)15-16-22(32,33)24(34,35)25(36,37)26(38,39)27(40,41)28(42,43)29(44,45)30(46,47)48/h2-14H,15-16H2,1H3

smiles:
COC1=CC=C(C=C1)C(Cl)(C1=CC=CC=C1)C1=CC=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1


name: [4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)phenyl]bis(4-methoxyphenyl)methanol
cas: 865758-47-0
dtxsid: DTXSID10584841
formula: C31H23F17O3
inchikey: WKTBNLMPYCYJER-UHFFFAOYSA-N
norman_susdat_id: NS00109178
inchi:
InChI=1S/C31H23F17O3/c1-50-21-11-7-19(8-12-21)24(49,20-9-13-22(51-2)14-10-20)18-5-3-17(4-6-18)15-16-23(32,33)25(34,35)26(36,37)27(38,39)28(40,41)29(42,43)30(44,45)31(46,47)48/h3-14,49H,15-16H2,1-2H3

smiles:
COC1=CC=C(C=C1)C(O)(C1=CC=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1)C1=CC=C(OC)C=C1


name: Briciclib
cas: 865783-99-9
formula: C19H23O10PS
inchikey: LXENKEWVEVKKGV-BQYQJAHWSA-N
norman_susdat_id: NS00071861
pubchem_cid: 11248490
smiles: COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(OP(=O)(O)O)c2)c(OC)c1
inchi:
InChI=1S/C19H23O10PS/c1-25-14-10-17(27-3)15(18(11-14)28-4)7-8-31(23,24)12-13-5-6-16(26-2)19(9-13)29-30(20,21)22/h5-11H,12H2,1-4H3,(H2,20,21,22)/b8-7+


name: N,N'-bis[4-(1,1,3,3-tetramethylbutyl)phenyl]benzene-1,4-diamine
cas: 86579-34-2
dtxsid: DTXSID301006935
formula: C34H48N2
inchikey: KNPKMWIAPZOEKT-UHFFFAOYSA-N
norman_susdat_id: NS00065216
pubchem_cid: 3021115
smiles: C=1C=C(C=CC1NC2=CC=C(C=C2)C(C)(C)CC(C)(C)C)NC3=CC=C(C=C3)C(C)(C)CC(C)(C)C
inchi:
InChI=1/C34H48N2/c1-31(2,3)23-33(7,8)25-11-15-27(16-12-25)35-29-19-21-30(22-20-29)36-28-17-13-26(14-18-28)34(9,10)24-32(4,5)6/h11-22,35-36H,23-24H2,1-10H3


name: N-Phenyl-N'-(4-(1,1,3,3-tetramethylbutyl)phenyl)benzene-1,4-diamine
cas: 86579-35-3
chemspiderid: 2287812
dtxsid: DTXSID70235680
formula: C26H32N2
inchikey: FANJOUDFTDBLDM-UHFFFAOYSA-N
norman_susdat_id: NS00039135
pubchem_cid: 3021116
smiles: CC(C)(C)CC(C)(C)c1ccc(Nc2ccc(Nc3ccccc3)cc2)cc1
inchi:
InChI=1S/C26H32N2/c1-25(2,3)19-26(4,5)20-11-13-22(14-12-20)28-24-17-15-23(16-18-24)27-21-9-7-6-8-10-21/h6-18,27-28H,19H2,1-5H3


name: N-[4-(1,1-dimethylpropyl)phenyl]-N'-phenylbenzene-1,4-diamine
cas: 86579-36-4
dtxsid: DTXSID001006936
formula: C23H26N2
inchikey: RYHCBSRDOLORRF-UHFFFAOYSA-N
norman_susdat_id: NS00065238
pubchem_cid: 3021117
smiles: C=1C=CC(=CC1)NC2=CC=C(C=C2)NC3=CC=C(C=C3)C(C)(C)CC
inchi:
InChI=1/C23H26N2/c1-4-23(2,3)18-10-12-20(13-11-18)25-22-16-14-21(15-17-22)24-19-8-6-5-7-9-19/h5-17,24-25H,4H2,1-3H3


name: N,N'-Bis(4-cyclohexylphenyl)benzene-1,4-diamine
cas: 86579-41-1
chemspiderid: 2287814
dtxsid: DTXSID30235681
formula: C30H36N2
inchikey: CTHNIBNPESVSGL-UHFFFAOYSA-N
norman_susdat_id: NS00039136
pubchem_cid: 3021118
smiles: C1CCC(CC1)c1ccc(Nc2ccc(Nc3ccc(cc3)C3CCCCC3)cc2)cc1
inchi:
InChI=1S/C30H36N2/c1-3-7-23(8-4-1)25-11-15-27(16-12-25)31-29-19-21-30(22-20-29)32-28-17-13-26(14-18-28)24-9-5-2-6-10-24/h11-24,31-32H,1-10H2


name: N-(4-cyclohexylphenyl)-N'-phenylbenzene-1,4-diamine
cas: 86579-42-2
dtxsid: DTXSID701006937
formula: C24H26N2
inchikey: UWPQISAFVOGQIC-UHFFFAOYSA-N
norman_susdat_id: NS00064782
pubchem_cid: 3021119
smiles: C=1C=CC(=CC1)NC2=CC=C(C=C2)NC3=CC=C(C=C3)C4CCCCC4
inchi:
InChI=1/C24H26N2/c1-3-7-19(8-4-1)20-11-13-22(14-12-20)26-24-17-15-23(16-18-24)25-21-9-5-2-6-10-21/h2,5-6,9-19,25-26H,1,3-4,7-8H2


name: N,N'-bis[4-(1-phenylethyl)phenyl]benzene-1,4-diamine
cas: 86579-43-3
dtxsid: DTXSID401006938
formula: C34H32N2
inchikey: RKMNUEMCLJPQJD-UHFFFAOYSA-N
norman_susdat_id: NS00064783
pubchem_cid: 3021120
smiles: C=1C=CC(=CC1)C(C2=CC=C(C=C2)NC3=CC=C(C=C3)NC4=CC=C(C=C4)C(C=5C=CC=CC5)C)C
inchi:
InChI=1/C34H32N2/c1-25(27-9-5-3-6-10-27)29-13-17-31(18-14-29)35-33-21-23-34(24-22-33)36-32-19-15-30(16-20-32)26(2)28-11-7-4-8-12-28/h3-26,35-36H,1-2H3


name: N-phenyl-N'-[4-(1-phenylethyl)phenyl]benzene-1,4-diamine
cas: 86579-44-4
dtxsid: DTXSID101006939
formula: C26H24N2
inchikey: PIYLSRIGTMZWFR-UHFFFAOYSA-N
norman_susdat_id: NS00065984
pubchem_cid: 3021121
smiles: C=1C=CC(=CC1)NC2=CC=C(C=C2)NC3=CC=C(C=C3)C(C=4C=CC=CC4)C
inchi:
InChI=1/C26H24N2/c1-20(21-8-4-2-5-9-21)22-12-14-24(15-13-22)28-26-18-16-25(17-19-26)27-23-10-6-3-7-11-23/h2-20,27-28H,1H3


name: Tideglusib
cas: 865854-05-3
chebiid: CHEBI:147398
dtxsid: DTXSID90235682
formula: C19H14N2O2S
inchikey: PMJIHLSCWIDGMD-UHFFFAOYSA-N
norman_susdat_id: NS00071037
pubchem_cid: 11313622
smiles: O=c1sn(-c2cccc3ccccc23)c(=O)n1Cc1ccccc1
inchi:
InChI=1S/C19H14N2O2S/c22-18-20(13-14-7-2-1-3-8-14)19(23)24-21(18)17-12-6-10-15-9-4-5-11-16(15)17/h1-12H,13H2


name: C9 Sorbitan monoester
cas: 86595-55-3
formula: C15H28O6
inchikey: VRZRXULAXVYIHW-UHFFFAOYSA-N
norman_susdat_id: NS00095531
smiles: OC1C(C(COC(CCCCCCCC)=O)O)OCC1O
inchi:
InChI=1S/C15H28O6/c1-2-3-4-5-6-7-8-13(18)20-10-12(17)15-14(19)11(16)9-21-15/h11-12,14-17,19H,2-10H2,1H3


name: Imibenconazole
cas: 86598-92-7
chebiid: CHEBI:81767
chemspiderid: 84387
dtxsid: DTXSID7058204
formula: C17H13Cl3N4S1
inchikey: AGKSTYPVMZODRV-UHFFFAOYSA-N
norman_susdat_id: NS00003510
pubchem_cid: 93483
smiles: Clc1ccc(CSC(Cn2cncn2)=Nc2ccc(Cl)cc2Cl)cc1
inchi:
InChI=1S/C17H13Cl3N4S/c18-13-3-1-12(2-4-13)9-25-17(8-24-11-21-10-22-24)23-16-6-5-14(19)7-15(16)20/h1-7,10-11H,8-9H2


name: Diethyltin dichloride
cas: 866-55-7
dtxsid: DTXSID20235690
formula: C4H10Sn
inchikey: YFAXVVMIXZAKSR-UHFFFAOYSA-L
norman_susdat_id: NS00042068
pubchem_cid: NA
smiles: [Cl-].[Cl-].[Sn+2](CC)CC
inchi:
InChI=1/2C2H5.2ClH.Sn/c2*1-2;;;/h2*1H2,2H3;2*1H;/q;;;;+2/p-2/rC4H10Sn.2ClH/c1-3-5-4-2;;/h3-4H2,1-2H3;2*1H/q+2;;/p-2


name: Tricobalt dicitrate
cas: 866-81-9
formula: C6H8O7.3/2Co
inchikey: IEXXNGVQCLMTKU-UHFFFAOYSA-H
norman_susdat_id: NS00079627
smiles: [Co+2].[Co+2].[Co+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/2C6H8O7.3Co/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;/q;;3*+2/p-6


name: Tetrapentylammonium bromide
cas: 866-97-7
dtxsid: DTXSID40883596
formula: C20H44N
inchikey: SPALIFXDWQTXKS-UHFFFAOYSA-M
norman_susdat_id: NS00042967
pubchem_cid: 70086
smiles: [Br-].CCCCC[N+](CCCCC)(CCCCC)CCCCC
inchi:
InChI=1/C20H44N.BrH/c1-5-9-13-17-21(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4;/h5-20H2,1-4H3;1H/q+1;/p-1


name: STEARYL ERUCATE
cas: 86601-84-5
chemspiderid: 4896742
formula: C40H78O2
inchikey: ZFCUBQOYWAZKNO-HTXNQAPBSA-N
norman_susdat_id: NS00014126
pubchem_cid: 6366121
smiles: CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1S/C40H78O2/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(41)42-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-39H2,1-2H3/b19-17+


name: Ceftaroline Fosamil
cas: 866021-48-9
dtxsid: DTXSID80193262
formula: C22H22N8O8PS4
inchikey: ZCCUWMICIWSJIX-NQJJCJBVSA-O
norman_susdat_id: NS00069729
pubchem_cid: 9852982
smiles: CCO/N=C(C(=O)N[C@@H]1C(=O)N2C(C(=O)O)=C(Sc3nc(-c4cc[n+](C)cc4)cs3)CS[C@H]12)c1nsc(NP(=O)(O)O)n1
inchi:
InChI=1S/C22H21N8O8PS4/c1-3-38-26-13(16-25-21(43-28-16)27-39(35,36)37)17(31)24-14-18(32)30-15(20(33)34)12(9-40-19(14)30)42-22-23-11(8-41-22)10-4-6-29(2)7-5-10/h4-8,14,19H,3,9H2,1-2H3,(H4-,24,25,27,28,31,33,34,35,36,37)/p+1/b26-13-/t14-,19-/m1/s1


name: 2-[(2,5-difluorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
cas: 866150-60-9
formula: C11H9F2NO3
inchikey: QTWGHTBKFVANGX-RQJHMYQMSA-N
norman_susdat_id: NS00069827
pubchem_cid: 7100107
smiles: O=C(O)[C@H]1C[C@H]1C(=O)Nc1cc(F)ccc1F
inchi:
InChI=1S/C11H9F2NO3/c12-5-1-2-8(13)9(3-5)14-10(15)6-4-7(6)11(16)17/h1-3,6-7H,4H2,(H,14,15)(H,16,17)/t6-,7+/m1/s1


name: PRX-08066
cas: 866206-55-5
dtxsid: DTXSID60235710
formula: C19H17ClFN5S
inchikey: IENZFHBNCRQMNP-UHFFFAOYSA-N
norman_susdat_id: NS00072445
pubchem_cid: 11502243
smiles: N#Cc1cc(CN2CCC(Nc3ncnc4sc(Cl)cc34)CC2)ccc1F
inchi:
InChI=1S/C19H17ClFN5S/c20-17-8-15-18(23-11-24-19(15)27-17)25-14-3-5-26(6-4-14)10-12-1-2-16(21)13(7-12)9-22/h1-2,7-8,11,14H,3-6,10H2,(H,23,24,25)


name: 2-(Ethyl(3-methylphenyl)amino)ethyl 4-(trichloromethyl)benzoate
cas: 86626-71-3
chemspiderid: 2287819
dtxsid: DTXSID80235712
formula: C19H20Cl3N1O2
inchikey: AUUQESGZJHQNNE-UHFFFAOYSA-N
norman_susdat_id: NS00039140
pubchem_cid: 3021124
smiles: CCN(CCOC(=O)c1ccc(cc1)C(Cl)(Cl)Cl)c1cc(C)ccc1
inchi:
InChI=1S/C19H20Cl3NO2/c1-3-23(17-6-4-5-14(2)13-17)11-12-25-18(24)15-7-9-16(10-8-15)19(20,21)22/h4-10,13H,3,11-12H2,1-2H3


name: 2-(Ethyl(4-formyl-3-methylphenyl)amino)ethyl 3-(trichloromethyl)benzoate
cas: 86626-72-4
chemspiderid: 2287820
dtxsid: DTXSID40235713
formula: C20H20Cl3N1O3
inchikey: CFBXNTURAPEGTI-UHFFFAOYSA-N
norman_susdat_id: NS00039141
pubchem_cid: 3021125
smiles: CCN(CCOC(=O)c1cc(ccc1)C(Cl)(Cl)Cl)c1cc(C)c(C=O)cc1
inchi:
InChI=1S/C20H20Cl3NO3/c1-3-24(18-8-7-16(13-25)14(2)11-18)9-10-27-19(26)15-5-4-6-17(12-15)20(21,22)23/h4-8,11-13H,3,9-10H2,1-2H3


name: 2-[[4-(2,2-dicyanovinyl)-3-methylphenyl]ethylamino]ethyl 3-(trichloromethyl)benzoate
cas: 86626-73-5
dtxsid: DTXSID201006956
formula: C23H20Cl3N3O2
inchikey: CZLWIAXELSOCIG-UHFFFAOYSA-N
norman_susdat_id: NS00065239
pubchem_cid: 21149662
smiles: N#CC(C#N)=CC1=CC=C(C=C1C)N(CC)CCOC(=O)C2=CC=CC(=C2)C(Cl)(Cl)Cl
inchi:
InChI=1/C23H20Cl3N3O2/c1-3-29(21-8-7-18(16(2)11-21)12-17(14-27)15-28)9-10-31-22(30)19-5-4-6-20(13-19)23(24,25)26/h4-8,11-13H,3,9-10H2,1-2H3


name: 2-(Ethyl(4-formyl-3-methylphenyl)amino)ethyl 4-(trichloromethyl)benzoate
cas: 86626-74-6
chemspiderid: 2287822
dtxsid: DTXSID00235714
formula: C20H20Cl3N1O3
inchikey: VONXKBUMASGSSI-UHFFFAOYSA-N
norman_susdat_id: NS00039142
pubchem_cid: 3021127
smiles: CCN(CCOC(=O)c1ccc(cc1)C(Cl)(Cl)Cl)c1cc(C)c(C=O)cc1
inchi:
InChI=1S/C20H20Cl3NO3/c1-3-24(18-9-6-16(13-25)14(2)12-18)10-11-27-19(26)15-4-7-17(8-5-15)20(21,22)23/h4-9,12-13H,3,10-11H2,1-2H3


name: 2-[[4-(2,2-dicyanovinyl)-3-methylphenyl]ethylamino]ethyl 4-(trichloromethyl)benzoate
cas: 86626-75-7
dtxsid: DTXSID901006957
formula: C23H20Cl3N3O2
inchikey: VOLKPDDHJOZOPT-UHFFFAOYSA-N
norman_susdat_id: NS00065985
pubchem_cid: 21149663
smiles: N#CC(C#N)=CC1=CC=C(C=C1C)N(CC)CCOC(=O)C2=CC=C(C=C2)C(Cl)(Cl)Cl
inchi:
InChI=1/C23H20Cl3N3O2/c1-3-29(21-9-6-19(16(2)12-21)13-17(14-27)15-28)10-11-31-22(30)18-4-7-20(8-5-18)23(24,25)26/h4-9,12-13H,3,10-11H2,1-2H3


name: Acromelic acid A
cas: 86630-09-3
chebiid: CHEBI:134690
dtxsid: DTXSID70897146
formula: C13H14N2O7
inchikey: CWXNEBSQRIECMV-PJKMHFRUSA-N
norman_susdat_id: NS00075515
smiles: OC(=O)C[C@@H]1[C@H](NC[C@@H]1C1=CC=C(NC1=O)C(O)=O)C(O)=O
inchi:
InChI=1S/C13H14N2O7/c16-9(17)3-6-7(4-14-10(6)13(21)22)5-1-2-8(12(19)20)15-11(5)18/h1-2,6-7,10,14H,3-4H2,(H,15,18)(H,16,17)(H,19,20)(H,21,22)/t6-,7+,10-/m0/s1


name: Neflumozide
cas: 86636-93-3
chemspiderid: 50085
formula: C22H23F1N4O2
inchikey: VEUGOXRZHKYDED-UHFFFAOYSA-N
norman_susdat_id: NS00010488
pubchem_cid: 55463
smiles: c1ccc2c(c1)[nH]c(=O)n2C3CCN(CC3)CCCc4c5ccc(cc5on4)F
inchi:
InChI=1S/C22H23FN4O2/c23-15-7-8-17-18(25-29-21(17)14-15)5-3-11-26-12-9-16(10-13-26)27-20-6-2-1-4-19(20)24-22(27)28/h1-2,4,6-8,14,16H,3,5,9-13H2,(H,24,28)


name: Setipiprant
cas: 866460-33-5
dtxsid: DTXSID00235739
formula: C24H19FN2O3
inchikey: IHAXLPDVOWLUOS-UHFFFAOYSA-N
norman_susdat_id: NS00073048
smiles: O=C(O)Cn1c2c(c3cc(F)ccc31)CN(C(=O)c1cccc3ccccc13)CC2
inchi:
InChI=1S/C24H19FN2O3/c25-16-8-9-21-19(12-16)20-13-26(11-10-22(20)27(21)14-23(28)29)24(30)18-7-3-5-15-4-1-2-6-17(15)18/h1-9,12H,10-11,13-14H2,(H,28,29)


cas: 866607-35-4
chemspiderid: 57487111
formula: C32H33F1O9S1
inchikey: XYBGJUIUCFENGS-UHFFFAOYSA-N
norman_susdat_id: NS00003827
pubchem_cid: 74434474
smiles: CC(=O)OCC1OC(C(OC(C)=O)C(OC(C)=O)C1OC(C)=O)c1ccc(C)c(Cc2ccc(s2)-c2ccc(F)cc2)c1
name:
(1S)-2,3,4,6-TETRA-O-ACETYL-1,5-ANHYDRO-1-(3-{[5-(4-FLUOROPHENYL)THIOPHEN-2-YL]METHYL}-4-METHYLPHENYL)-D-GLUCITOL

inchi:
InChI=1S/C32H33FO9S/c1-17-6-7-23(14-24(17)15-26-12-13-28(43-26)22-8-10-25(33)11-9-22)29-31(40-20(4)36)32(41-21(5)37)30(39-19(3)35)27(42-29)16-38-18(2)34/h6-14,27,29-32H,15-16H2,1-5H3


name: 6-Methyl-2-(4-methylanilino)-4H-3,1-benzoxazin-4-one
cas: 86672-58-4
chemspiderid: 741376
dtxsid: DTXSID10357239
formula: C16H14N2O2
inchikey: GFWNGVKCDGYFKG-UHFFFAOYSA-N
norman_susdat_id: NS00017239
pubchem_cid: 848487
smiles: CC1=CC=C(C=C1)NC2=NC3=C(C=C(C=C3)C)C(=O)O2
inchi:
InChI=1S/C16H14N2O2/c1-10-3-6-12(7-4-10)17-16-18-14-8-5-11(2)9-13(14)15(19)20-16/h3-9H,1-2H3,(H,17,18)


name: 13-ethyl-17a-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one butyrate
cas: 86679-33-6
formula: C25H34O3
inchikey: GPKLGCALNRZIDS-KRTHDRFRSA-N
norman_susdat_id: NS00064940
pubchem_cid: 21156149
smiles: O=C(OC1(C#C)CCC2C3CCC4=CC(=O)CCC4C3CCC21CC)CCC
inchi:
InChI=1/C25H34O3/c1-4-7-23(27)28-25(6-3)15-13-22-21-10-8-17-16-18(26)9-11-19(17)20(21)12-14-24(22,25)5-2/h3,16,19-22H,4-5,7-15H2,1-2H3


name: 13-Ethyl-17alpha-hydroxy-18,19-dinorpregn-4-en-20-yn-3-one cyclobutanecarboxylate
cas: 86679-36-9
chemspiderid: 21165289
dtxsid: DTXSID00235759
formula: C26H34O3
inchikey: WWGTWFPUIPEHNX-UKNJCJGYSA-N
norman_susdat_id: NS00039146
pubchem_cid: 10092040
smiles: CCC12CCC3C(CCC4=CC(=O)CCC34)C1CCC2(OC(=O)C1CCC1)C#C
inchi:
InChI=1S/C26H34O3/c1-3-25-14-12-21-20-11-9-19(27)16-18(20)8-10-22(21)23(25)13-15-26(25,4-2)29-24(28)17-6-5-7-17/h2,16-17,20-23H,3,5-15H2,1H3/t20-,21+,22-,23-,25-,26+/m1/s1


name: N6-methyl-(r)-roscovitine
cas: 866893-90-5
formula: C20H28N6O
inchikey: YPYWONAECUVKHY-MRXNPFEDSA-N
norman_susdat_id: NS00070812
pubchem_cid: 5289296
smiles: CC[C@H](CO)Nc1nc(N(C)Cc2ccccc2)c2ncn(C(C)C)c2n1
inchi:
InChI=1S/C20H28N6O/c1-5-16(12-27)22-20-23-18(25(4)11-15-9-7-6-8-10-15)17-19(24-20)26(13-21-17)14(2)3/h6-10,13-14,16,27H,5,11-12H2,1-4H3,(H,22,23,24)/t16-/m1/s1


name: Sodium pantothenate
cas: 867-81-2
chemspiderid: 12780
dtxsid: DTXSID4047173
formula: C9H17N1O5
inchikey: ATGOBFMBFBNCPF-UHFFFAOYSA-N
norman_susdat_id: NS00014086
pubchem_cid: 13349
smiles: [Na+].CC(C)(O)CC(O)C(=O)NCCC([O-])=O
inchi:
InChI=1S/C9H17NO5.Na/c1-9(2,15)5-6(11)8(14)10-4-3-7(12)13;/h6,11,15H,3-5H2,1-2H3,(H,10,14)(H,12,13);/q;+1/p-1


name: N-(3-(Decylamino)propyl)-D-gluconamide
cas: 86702-59-2
chemspiderid: 18815360
dtxsid: DTXSID70235781
formula: C19H40N2O6
inchikey: URPLOWLZZQLZGJ-ZJPYXAASSA-N
norman_susdat_id: NS00039147
pubchem_cid: 22861452
smiles: CCCCCCCCCCNCCCNC(=O)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1S/C19H40N2O6/c1-2-3-4-5-6-7-8-9-11-20-12-10-13-21-19(27)18(26)17(25)16(24)15(23)14-22/h15-18,20,22-26H,2-14H2,1H3,(H,21,27)/t15-,16+,17-,18-/m1/s1


name: N-(3-(Dodecylamino)propyl)-D-gluconamide
cas: 86702-60-5
chemspiderid: 18815364
dtxsid: DTXSID30235782
formula: C21H44N2O6
inchikey: SXMIVKFBYRPWAI-YSTOQKLRSA-N
norman_susdat_id: NS00039148
pubchem_cid: 13187447
smiles: CCCCCCCCCCCCNCCCNC(=O)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1S/C21H44N2O6/c1-2-3-4-5-6-7-8-9-10-11-13-22-14-12-15-23-21(29)20(28)19(27)18(26)17(25)16-24/h17-20,22,24-28H,2-16H2,1H3,(H,23,29)/t17-,18+,19-,20-/m1/s1


name: N-(3-(Tetradecylamino)propyl)-D-gluconamide
cas: 86702-61-6
chemspiderid: 18815387
dtxsid: DTXSID90235783
formula: C23H48N2O6
inchikey: XFVQQMHINKBMJQ-YUMYIRISSA-N
norman_susdat_id: NS00039149
pubchem_cid: 22861470
smiles: CCCCCCCCCCCCCCNCCCNC(=O)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1S/C23H48N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-24-16-14-17-25-23(31)22(30)21(29)20(28)19(27)18-26/h19-22,24,26-30H,2-18H2,1H3,(H,25,31)/t19-,20-,21-,22-/m0/s1


name: N-[3-(hexadecylamino)propyl]-D-gluconamide
cas: 86702-62-7
dtxsid: DTXSID50235784
formula: C25H52N2O6
inchikey: BDYGHEUSJLDPJU-JLLPCOHGSA-N
norman_susdat_id: NS00064871
pubchem_cid: 22861456
smiles: O=C(NCCCNCCCCCCCCCCCCCCCC)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1/C25H52N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-26-18-16-19-27-25(33)24(32)23(31)22(30)21(29)20-28/h21-24,26,28-32H,2-20H2,1H3,(H,27,33)


name: N-(4-bromobenzyl)-N-pentanoyl-L-valine
cas: 867022-57-9
chemspiderid: 9871093
formula: C17H24Br1N1O3
inchikey: MQUSOWYDELDFBC-INIZCTEOSA-N
norman_susdat_id: NS00007755
pubchem_cid: 11696368
smiles: CCCCC(=O)N(Cc1ccc(Br)cc1)[C@@H](C(C)C)C(O)=O
inchi:
InChI=1S/C17H24BrNO3/c1-4-5-6-15(20)19(16(12(2)3)17(21)22)11-13-7-9-14(18)10-8-13/h7-10,12,16H,4-6,11H2,1-3H3,(H,21,22)/t16-/m0/s1


cas: 867030-76-0
dtxsid: DTXSID90883026
norman_susdat_id: NS00112037
name:
Copolymer of ▒-acryloyl-¤ë-hydroxypoly(oxyethylene), 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-yl acrylate


name: Tecarfarin
cas: 867257-26-9
dtxsid: DTXSID90235788
formula: C21H14F6O5
inchikey: QFLNTQDOVCLQKW-UHFFFAOYSA-N
norman_susdat_id: NS00071039
pubchem_cid: 54718618
smiles: CC(OC(=O)c1ccc(Cc2c(O)c3ccccc3oc2=O)cc1)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C21H14F6O5/c1-19(20(22,23)24,21(25,26)27)32-17(29)12-8-6-11(7-9-12)10-14-16(28)13-4-2-3-5-15(13)31-18(14)30/h2-9,28H,10H2,1H3


name: TG 100801
cas: 867331-82-6
dtxsid: DTXSID20235791
formula: C33H30ClN5O3
inchikey: JMGXJHWTVBGOKG-UHFFFAOYSA-N
norman_susdat_id: NS00071888
pubchem_cid: 11973736
smiles: Cc1cc(-c2cc(OC(=O)c3ccccc3)ccc2Cl)cc2nnc(Nc3ccc(OCCN4CCCC4)cc3)nc12
inchi:
InChI=1S/C33H30ClN5O3/c1-22-19-24(28-21-27(13-14-29(28)34)42-32(40)23-7-3-2-4-8-23)20-30-31(22)36-33(38-37-30)35-25-9-11-26(12-10-25)41-18-17-39-15-5-6-16-39/h2-4,7-14,19-21H,5-6,15-18H2,1H3,(H,35,36,38)


name: 1-(1-Methyl-1H-indol-3-yl)thiolan-1-ium nonafluorobutane-1-sulfonate
cas: 867373-18-0
dtxsid: DTXSID10895606
formula: C17H16F9NO3S2
inchikey: LLZYNMSKUBJCMK-UHFFFAOYSA-M
norman_susdat_id: NS00109356
smiles: Cn1cc([S+]2CCCC2)c2ccccc12.[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C13H16NS.C4HF9O3S/c1-14-10-13(15-8-4-5-9-15)11-6-2-3-7-12(11)14;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h2-3,6-7,10H,4-5,8-9H2,1H3;(H,14,15,16)/q+1;/p-1


name: Ethyl 4-[butyl[4-[[4,5-dicyano-1-(cyanomethyl)-1H-imidazol-2-yl]azo]-m-tolyl]amino]butyrate
cas: 86772-44-3
formula: C24H28N8O2
inchikey: CDJUDFWVUDHYBO-UHFFFAOYSA-N
norman_susdat_id: NS00064966
pubchem_cid: 3021130
smiles: N#CC=1N=C(N=NC2=CC=C(C=C2C)N(CCCC(=O)OCC)CCCC)N(C1C#N)CC#N
inchi:
InChI=1/C24H28N8O2/c1-4-6-12-31(13-7-8-23(33)34-5-2)19-9-10-20(18(3)15-19)29-30-24-28-21(16-26)22(17-27)32(24)14-11-25/h9-10,15H,4-8,12-14H2,1-3H3


name: Aranidipine
cas: 86780-90-7
dtxsid: DTXSID9048649
formula: C19H20N2O7
inchikey: NCUCGYYHUFIYNU-KRWDZBQOSA-N
norman_susdat_id: NS00068355
smiles: COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(C)=O)[C@H]1c1ccccc1[N+](=O)[O-]
inchi:
InChI=1S/C19H20N2O7/c1-10(22)9-28-19(24)16-12(3)20-11(2)15(18(23)27-4)17(16)13-7-5-6-8-14(13)21(25)26/h5-8,17,20H,9H2,1-4H3/t17-/m0/s1


name: Olodaterol
cas: 868049-49-4
chebiid: CHEBI:82700
formula: C21H26N2O5
inchikey: COUYJEVMBVSIHV-SFHVURJKSA-N
norman_susdat_id: NS00099357
pubchem_cid: 11504295
smiles: COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3c2OCC(=O)N3)cc1
inchi:
InChI=1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/t18-/m0/s1


name: N-[2-[(2-bromo-4,6-dinitrophenyl)azo]-5-[ethyl(3-phenylpropyl)amino]phenyl]acetamide
cas: 86806-69-1
formula: C25H27BrN6O5
inchikey: QTOMAVNNZJSYOV-UHFFFAOYSA-N
norman_susdat_id: NS00065370
pubchem_cid: 3021131
smiles: O=C(NC1=CC(=CC=C1N=NC2=C(Br)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N(CC)CCCC=3C=CC=CC3)C
inchi:
InChI=1/C25H25BrN6O5/c1-3-30(13-7-10-18-8-5-4-6-9-18)19-11-12-22(23(15-19)27-17(2)33)28-29-25-21(26)14-20(31(34)35)16-24(25)32(36)37/h4-6,8-9,11-12,14-16H,3,7,10,13H2,1-2H3,(H,27,33)


cas: 86808-51-7
dtxsid: DTXSID501007103
formula: C18H20N3O3S
inchikey: LZKSXXDPGPUJOV-UHFFFAOYSA-L
norman_susdat_id: NS00066173
pubchem_cid: 16205657
smiles: N#[N+]C=1C=C(OC)C(SC2=CC=C(C=C2)C)=CC1NCC(=O)OCC.O=S(=O)([O-])[O-]
name:
2-[(ethoxycarbonyl)methylamino]-5-methoxy-4-[(4-methylphenyl)thio]benzenediazonium hydrogen sulphate

inchi:
InChI=1/C18H20N3O3S.H2O4S/c1-4-24-18(22)11-20-14-10-17(16(23-3)9-15(14)21-19)25-13-7-5-12(2)6-8-13;1-5(2,3)4/h5-10,20H,4,11H2,1-3H3;(H2,1,2,3,4)/q+1;/p-2


name: Fluazuron
cas: 86811-58-7
chebiid: CHEBI:39374
chemspiderid: 59088
dtxsid: DTXSID1046556
formula: C20H10Cl2F5N3O3
inchikey: YOWNVPAUWYHLQX-UHFFFAOYSA-N
norman_susdat_id: NS00015277
pubchem_cid: 65651
smiles: C1=CC(=C(C(=C1)F)C(=O)NC(=O)NC2=CC(=C(C=C2)Cl)OC3=C(C=C(C=N3)C(F)(F)F)Cl)F
inchi:
InChI=1S/C20H10Cl2F5N3O3/c21-11-5-4-10(29-19(32)30-17(31)16-13(23)2-1-3-14(16)24)7-15(11)33-18-12(22)6-9(8-28-18)20(25,26)27/h1-8H,(H2,29,30,31,32)


cas: 86819-57-0
dtxsid: DTXSID601007132
formula: C23H12Cl2N4O5
inchikey: QXNPUMCGYQBUOF-UHFFFAOYSA-N
norman_susdat_id: NS00064967
pubchem_cid: 54252178
smiles: O=C1OC2(C3=CC=C(O)C=C3OC=4C2=CC=C(O)C4NC=5N=C(Cl)N=C(Cl)N5)C=6C=CC=CC16
name:
4'-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3',6'-dihydroxyspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one

inchi:
InChI=1/C23H12Cl2N4O5/c24-20-27-21(25)29-22(28-20)26-17-15(31)8-7-14-18(17)33-16-9-10(30)5-6-13(16)23(14)12-4-2-1-3-11(12)19(32)34-23/h1-9,30-31H,(H,26,27,28,29)


name: ORG 27569
cas: 868273-06-7
chemspiderid: 22369629
dtxsid: DTXSID00660764
formula: C24H28ClN3O
inchikey: AHFZDNYNXFMRFQ-UHFFFAOYSA-N
norman_susdat_id: NS00100965
pubchem_cid: 44828492
smiles: CCc1c2cc(ccc2[nH]c1C(=O)NCCc3ccc(cc3)N4CCCCC4)Cl
inchi:
InChI=1S/C24H28ClN3O/c1-2-20-21-16-18(25)8-11-22(21)27-23(20)24(29)26-13-12-17-6-9-19(10-7-17)28-14-4-3-5-15-28/h6-11,16,27H,2-5,12-15H2,1H3,(H,26,29)


name: N-(2,2,3,3,4,4,4-Heptafluorobutanoyl)-D-phenylalanine
cas: 868275-40-5
dtxsid: DTXSID20896149
formula: C13H10F7NO3
inchikey: WQIUWPXBEHWYBX-MRVPVSSYSA-N
norman_susdat_id: NS00109737
smiles: OC(=O)[C@@H](Cc1ccccc1)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C13H10F7NO3/c14-11(15,12(16,17)13(18,19)20)10(24)21-8(9(22)23)6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,21,24)(H,22,23)/t8-/m1/s1


name: Carfilzomib
cas: 868540-17-4
chebiid: CHEBI:65347
dtxsid: DTXSID4048690
formula: C40H57N5O7
inchikey: BLMPQMFVWMYDKT-NZTKNTHTSA-N
norman_susdat_id: NS00072616
pubchem_cid: 11556711
inchi:
InChI=1S/C40H57N5O7/c1-27(2)22-32(36(47)40(5)26-52-40)42-39(50)34(24-30-14-10-7-11-15-30)44-38(49)33(23-28(3)4)43-37(48)31(17-16-29-12-8-6-9-13-29)41-35(46)25-45-18-20-51-21-19-45/h6-15,27-28,31-34H,16-26H2,1-5H3,(H,41,46)(H,42,50)(H,43,48)(H,44,49)/t31-,32-,33-,34-,40+/m0/s1

smiles:
CC(C)C[C@H](NC(=O)[C@H](CCc1ccccc1)NC(=O)CN1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[C@@]1(C)CO1


name: Epanolol
cas: 86880-51-5
dtxsid: DTXSID90868959
formula: C20H23N3O4
inchikey: YARKMNAWFIMDKV-GOSISDBHSA-N
norman_susdat_id: NS00068563
smiles: N#Cc1ccccc1OC[C@H](O)CNCCNC(=O)Cc1ccc(O)cc1
inchi:
InChI=1S/C20H23N3O4/c21-12-16-3-1-2-4-19(16)27-14-18(25)13-22-9-10-23-20(26)11-15-5-7-17(24)8-6-15/h1-8,18,22,24-25H,9-11,13-14H2,(H,23,26)/t18-/m1/s1


name: N-tosylglycyl-L-prolyl-N-(p-nitrophenyl)-L-argininamide monoacetate
cas: 86890-95-1
dtxsid: DTXSID801007176
formula: C26H35N8O7S
inchikey: NGXDRWVTRQRSED-VROPFNGYSA-N
norman_susdat_id: NS00066176
pubchem_cid: 16220004
smiles: O=C(O)C.O=C(NC1=CC=C(C=C1)[N+](=O)[O-])C(NC(=O)C2N(C(=O)CNS(=O)(=O)C3=CC=C(C=C3)C)CCC2)CCCNC(=N)N
inchi:
InChI=1/C26H34N8O7S.C2H4O2/c1-17-6-12-20(13-7-17)42(40,41)30-16-23(35)33-15-3-5-22(33)25(37)32-21(4-2-14-29-26(27)28)24(36)31-18-8-10-19(11-9-18)34(38)39;1-2(3)4/h6-13,21-22,30H,2-5,14-16H2,1H3,(H,31,36)(H,32,37)(H4,27,28,29);1H3,(H,3,4)


cas: 86893-19-8
formula: C43H78O8
norman_susdat_id: NS00101820
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with methyl D-glucopyranoside 2,6-di-(9Z)-9-octadecenoate (2:1)


name: 3,6,9,12-Tetraazatetradecanedioic acid, 3,6,9,12-tetrakis(carboxymethyl)-
cas: 869-52-3
chemspiderid: 63277
dtxsid: DTXSID7061225
formula: C18H30N4O12
inchikey: RAEOEMDZDMCHJA-UHFFFAOYSA-N
norman_susdat_id: NS00020356
pubchem_cid: 70088
smiles: OC(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O
inchi:
InChI=1S/C18H30N4O12/c23-13(24)7-19(3-5-21(9-15(27)28)10-16(29)30)1-2-20(8-14(25)26)4-6-22(11-17(31)32)12-18(33)34/h1-12H2,(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H,31,32)(H,33,34)


name: Umeclidinium
cas: 869185-19-3
chemspiderid: 9693858
dtxsid: DTXSID00235971
formula: C29H34N1O2
inchikey: FVTWTVQXNAJTQP-UHFFFAOYSA-N
norman_susdat_id: NS00040693
pubchem_cid: 11519070
smiles: OC(c1ccccc1)(c1ccccc1)C12CC[N+](CCOCc3ccccc3)(CC1)CC2
inchi:
InChI=1S/C29H34NO2/c31-29(26-12-6-2-7-13-26,27-14-8-3-9-15-27)28-16-19-30(20-17-28,21-18-28)22-23-32-24-25-10-4-1-5-11-25/h1-15,31H,16-24H2/q+1


name: Z-Pro-Prolinal
cas: 86925-97-5
dtxsid: DTXSID301008412
formula: C18H22N2O4
inchikey: ORZXYSPOAVJYRU-HOTGVXAUSA-N
norman_susdat_id: NS00069231
pubchem_cid: 122623
smiles: O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
inchi:
InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1


name: 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl 4-hydroxybenzoate
cas: 869308-35-0
dtxsid: DTXSID30896094
formula: C15H7F15O3
inchikey: DPJROFCGRBHRGQ-UHFFFAOYSA-N
norman_susdat_id: NS00110076
smiles: Oc1ccc(cc1)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C15H7F15O3/c16-9(17,5-33-8(32)6-1-3-7(31)4-2-6)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h1-4,31H,5H2


name: AZD-8330
cas: 869357-68-6
chebiid: CHEBI:91424
dtxsid: DTXSID50235986
formula: C16H17FIN3O4
inchikey: RWEVIPRMPFNTLO-UHFFFAOYSA-N
norman_susdat_id: NS00072514
pubchem_cid: 16666708
smiles: Cc1cc(C(=O)NOCCO)c(Nc2ccc(I)cc2F)n(C)c1=O
inchi:
InChI=1S/C16H17FIN3O4/c1-9-7-11(15(23)20-25-6-5-22)14(21(2)16(9)24)19-13-4-3-10(18)8-12(13)17/h3-4,7-8,19,22H,5-6H2,1-2H3,(H,20,23)


name: Mln-8054
cas: 869363-13-3
chebiid: CHEBI:91366
dtxsid: DTXSID10235987
formula: C25H15ClF2N4O2
inchikey: HHFBDROWDBDFBR-UHFFFAOYSA-N
norman_susdat_id: NS00071591
pubchem_cid: 11712649
smiles: O=C(O)c1ccc(Nc2ncc3c(n2)-c2ccc(Cl)cc2C(c2c(F)cccc2F)=NC3)cc1
inchi:
InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)


name: CB-25
cas: 869376-63-6
chemspiderid: 9829042
dtxsid: DTXSID20470105
formula: C25H41N1O3
inchikey: XFHZHCKWTBGPFD-UHFFFAOYSA-N
norman_susdat_id: NS00017326
pubchem_cid: 11654304
smiles: CCCCCC1=CC(=CC(=C1)OCCCCCCCCCCC(=O)NC2CC2)O
inchi:
InChI=1S/C25H41NO3/c1-2-3-10-13-21-18-23(27)20-24(19-21)29-17-12-9-7-5-4-6-8-11-14-25(28)26-22-15-16-22/h18-20,22,27H,2-17H2,1H3,(H,26,28)


name: CB-52
cas: 869376-90-9
chemspiderid: 9670204
formula: C26H43N1O3
inchikey: BHJRHOCTESKVMJ-UHFFFAOYSA-N
norman_susdat_id: NS00017324
pubchem_cid: 11495398
smiles: CCCCCCC1=C(C=C(C=C1)O)OCCCCCCCCCCC(=O)NC2CC2
inchi:
InChI=1S/C26H43NO3/c1-2-3-4-11-14-22-16-19-24(28)21-25(22)30-20-13-10-8-6-5-7-9-12-15-26(29)27-23-17-18-23/h16,19,21,23,28H,2-15,17-18,20H2,1H3,(H,27,29)


name: Olodaterol
cas: 869477-96-3
chemspiderid: 9886244
formula: C21H26N2O5
inchikey: KCEHVJZZIGJAAW-UHFFFAOYSA-N
norman_susdat_id: NS00040635
pubchem_cid: 11711522
smiles: Cl.COc1ccc(CC(C)(C)NCC(O)c2cc(O)cc3NC(=O)COc23)cc1
inchi:
InChI=1S/C21H26N2O5.ClH/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17;/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26);1H


name: Gosogliptin
cas: 869490-23-3
dtxsid: DTXSID601007213
formula: C17H24F2N6O
inchikey: QWEWGXUTRTXFRF-KBPBESRZSA-N
norman_susdat_id: NS00071677
pubchem_cid: 11516136
smiles: O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1)N1CCC(F)(F)C1
inchi:
InChI=1S/C17H24F2N6O/c18-17(19)2-5-25(12-17)15(26)14-10-13(11-22-14)23-6-8-24(9-7-23)16-20-3-1-4-21-16/h1,3-4,13-14,22H,2,5-12H2/t13-,14-/m0/s1


name: PRX-03140
cas: 869493-21-0
dtxsid: DTXSID90236013
formula: C19H27N3O3S
inchikey: SCHKZZSVELPJKU-UHFFFAOYSA-N
norman_susdat_id: NS00072099
smiles: CC(C)n1c(=O)c(C(=O)NCCCN2CCCCC2)c(O)c2ccsc21
inchi:
InChI=1S/C19H27N3O3S/c1-13(2)22-18(25)15(16(23)14-7-12-26-19(14)22)17(24)20-8-6-11-21-9-4-3-5-10-21/h7,12-13,23H,3-6,8-11H2,1-2H3,(H,20,24)


name: Tecovirimat
cas: 869572-92-9
formula: C19H15F3N2O3
inchikey: CSKDFZIMJXRJGH-VWLPUNTISA-N
norman_susdat_id: NS00072152
smiles: O=C(NN1C(=O)[C@H]2[C@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O)c1ccc(C(F)(F)F)cc1
inchi:
InChI=1S/C19H15F3N2O3/c20-19(21,22)9-3-1-8(2-4-9)16(25)23-24-17(26)14-10-5-6-11(13-7-12(10)13)15(14)18(24)27/h1-6,10-15H,7H2,(H,23,25)/t10-,11+,12+,13-,14-,15+


name: 4-decanoyloxybenzoic Acid
cas: 86960-46-5
chemspiderid: 2844062
dtxsid: DTXSID60394134
formula: C17H24O4
inchikey: QTMHHQFADWIZCP-UHFFFAOYSA-N
norman_susdat_id: NS00001309
pubchem_cid: 3608562
smiles: CCCCCCCCCC(=O)Oc1ccc(cc1)C(O)=O
inchi:
InChI=1S/C17H24O4/c1-2-3-4-5-6-7-8-9-16(18)21-15-12-10-14(11-13-15)17(19)20/h10-13H,2-9H2,1H3,(H,19,20)


cas: 86960-56-7
dtxsid: DTXSID60882783
norman_susdat_id: NS00110979
name:
1,2,4,5-Benzenetetracarboxylic acid, 1,4-bis(3-chloro-2-hydroxypropyl) 2,5-bis[2-[[(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)sulfonyl]propylamino]ethyl] ester


name: Incb9471
cas: 869769-98-2
dtxsid: DTXSID20919100
formula: C30H40F3N5O2
inchikey: ZMCJFJZOSKEMOM-DNKZPPIMSA-N
norman_susdat_id: NS00072520
pubchem_cid: 49871007
smiles: CCO[C@@H]1Cc2cc(C(F)(F)F)ccc2[C@H]1N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C
inchi:
InChI=1S/C30H40F3N5O2/c1-6-40-25-16-22-15-23(30(31,32)33)7-8-24(22)27(25)38-14-13-37(17-19(38)2)29(5)9-11-36(12-10-29)28(39)26-20(3)34-18-35-21(26)4/h7-8,15,18-19,25,27H,6,9-14,16-17H2,1-5H3/t19-,25+,27+/m0/s1


name: Isoandrographolide
cas: 869807-57-8
dtxsid: DTXSID60859910
formula: C20H30O5
inchikey: BOJKULTULYSRAS-QPSYGYIJSA-N
norman_susdat_id: NS00072057
pubchem_cid: 7067324
smiles: C=C1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)CO)[C@@H]1C/C=C1C(=O)OC[C@H]1O
inchi:
InChI=1S/C20H30O5/c1-12-4-7-16-19(2,9-8-17(23)20(16,3)11-21)14(12)6-5-13-15(22)10-25-18(13)24/h5,14-17,21-23H,1,4,6-11H2,2-3H3/b13-5-/t14-,15-,16+,17-,19+,20+/m1/s1


name: Radezolid
cas: 869884-77-5
dtxsid: DTXSID301007238
formula: C22H23FN6O3
inchikey: BTTNOGHPGJANSW-IBGZPJMESA-N
norman_susdat_id: NS00072440
pubchem_cid: 11224409
smiles: CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(CNCc4cn[nH]n4)cc3)c(F)c2)C(=O)O1
inchi:
InChI=1S/C22H23FN6O3/c1-14(30)25-12-19-13-29(22(31)32-19)18-6-7-20(21(23)8-18)16-4-2-15(3-5-16)9-24-10-17-11-26-28-27-17/h2-8,11,19,24H,9-10,12-13H2,1H3,(H,25,30)(H,26,27,28)/t19-/m0/s1


cas: 869886-67-9
formula: C21H22Cl2N4O2
inchikey: KSERXGMCDHOLSS-LJQANCHMSA-N
norman_susdat_id: NS00072098
pubchem_cid: 11719003
smiles: CC(C)Nc1cc(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)c(Cl)cn1
name:
4-{5-chloro-2-[(propan-2-yl)amino]pyridin-4-yl}-n-[1-(3-chlorophenyl)-2-hydroxyethyl]-1h-pyrrole-2-carboxamide

inchi:
InChI=1S/C21H22Cl2N4O2/c1-12(2)26-20-8-16(17(23)10-25-20)14-7-18(24-9-14)21(29)27-19(11-28)13-4-3-5-15(22)6-13/h3-10,12,19,24,28H,11H2,1-2H3,(H,25,26)(H,27,29)/t19-/m1/s1


name: 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluoro-2-hydroxynonyl 2-methylprop-2-enoate
cas: 86994-47-0
chemspiderid: 2056489
dtxsid: DTXSID20379861
formula: C13H11F13O3
inchikey: QJNMSQFOKUQZBA-UHFFFAOYSA-N
norman_susdat_id: NS00019295
pubchem_cid: 2776167
smiles: CC(=C)C(=O)OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C13H11F13O3/c1-5(2)7(28)29-4-6(27)3-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h6,27H,1,3-4H2,2H3


name: dl-Homatropine
cas: 87-00-3
chebiid: CHEBI:5747
chemspiderid: 3497
dtxsid: DTXSID6044014
formula: C16H21N1O3
inchikey: ZTVIKZXZYLEVOL-MCOXGKPRSA-N
norman_susdat_id: NS00010367
pubchem_cid: 3623
smiles: CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(O)C1=CC=CC=C1
inchi:
InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13+,14+,15?


name: 2-Naphthalenesulfonic acid, 7,7'-iminobis[4-hydroxy-
cas: 87-03-6
chemspiderid: 59962
dtxsid: DTXSID8058952
formula: C20H15N1O8S2
inchikey: BQVLLTHCZQAJNH-UHFFFAOYSA-N
norman_susdat_id: NS00039164
pubchem_cid: 66594
smiles: Oc1cc(cc2cc(Nc3cc4c(cc3)c(O)cc(c4)S(=O)(=O)O)ccc12)S(=O)(=O)O
inchi:
InChI=1S/C20H15NO8S2/c22-19-9-15(30(24,25)26)7-11-5-13(1-3-17(11)19)21-14-2-4-18-12(6-14)8-16(10-20(18)23)31(27,28)29/h1-10,21-23H,(H,24,25,26)(H,27,28,29)


name: Penicillin V
cas: 87-08-1
chebiid: CHEBI:94454
chemspiderid: 4569
dtxsid: DTXSID3023429
formula: C16H18N2O5S1
inchikey: BPLBGHOLXOTWMN-UHFFFAOYSA-N
norman_susdat_id: NS00008310
pubchem_cid: 4731
smiles: CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(O)=O
inchi:
InChI=1S/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)


name: Almecillin
cas: 87-09-2
chebiid: CHEBI:51207
chemspiderid: 64462
dtxsid: DTXSID50236034
formula: C13H18N2O4S2
inchikey: QULKGELYPOJSLP-WCABBAIRSA-N
norman_susdat_id: NS00011623
pubchem_cid: 71365
smiles: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)CSCC=C)C(=O)O)C
inchi:
InChI=1S/C13H18N2O4S2/c1-4-5-20-6-7(16)14-8-10(17)15-9(12(18)19)13(2,3)21-11(8)15/h4,8-9,11H,1,5-6H2,2-3H3,(H,14,16)(H,18,19)/t8-,9+,11-/m1/s1


name: Choline hydrogen tartrate
cas: 87-67-2
formula: C5H14NO.C4H5O6
inchikey: QWJSAWXRUVVRLH-UHFFFAOYSA-L
norman_susdat_id: NS00078924
smiles: C[N+](C)(C)CCO.OC(C(O)C(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C5H14NO.C4H6O6/c1-6(2,3)4-5-7;5-1(3(7)8)2(6)4(9)10/h7H,4-5H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/q+1;/p-2


name: D-â€‹glycero-â€‹D-â€‹gulo-â€‹Heptonic acid
cas: 87-74-1
chebiid: CHEBI:67270
chemspiderid: 23854
dtxsid: DTXSID3048077
formula: C7H14O8
inchikey: KWMLJOLKUYYJFJ-VFUOTHLCSA-N
norman_susdat_id: NS00002118
pubchem_cid: 25588
smiles: OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)C(O)=O
inchi:
InChI=1S/C7H14O8/c8-1-2(9)3(10)4(11)5(12)6(13)7(14)15/h2-6,8-13H,1H2,(H,14,15)/t2-,3-,4+,5-,6-/m1/s1


name: Dioctyltin oxide
cas: 870-08-6
dtxsid: DTXSID6029628
formula: C16H34OSn
inchikey: LQRUPWUPINJLMU-UHFFFAOYSA-N
norman_susdat_id: NS00042588
pubchem_cid: 93563
smiles: O=[Sn](CCCCCCCC)CCCCCCCC
inchi:
InChI=1/2C8H17.O.Sn/c2*1-3-5-7-8-6-4-2;;/h2*1,3-8H2,2H3;;/rC16H34OSn/c1-3-5-7-9-11-13-15-18(17)16-14-12-10-8-6-4-2/h3-16H2,1-2H3


cas: 87001-12-5
dtxsid: DTXSID501007246
formula: C39H40Cl4N4O6S
inchikey: JTVOJWAROXFHTH-UHFFFAOYSA-N
norman_susdat_id: NS00064873
pubchem_cid: NA
name:
N-[4-chloro-3-[[4,5-dihydro-5-oxo-1-(2,4,6-trichlorophenyl)-1H-pyrazol-3-yl]amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulphonyl]phenoxy]dodecanamide

inchi:
InChI=1/C39H40Cl4N4O6S/c1-2-3-4-5-6-7-8-9-10-35(53-28-14-18-30(19-15-28)54(51,52)29-16-12-27(48)13-17-29)39(50)44-26-11-20-31(41)34(23-26)45-36-24-37(49)47(46-36)38-32(42)21-25(40)22-33(38)43/h11-23,35,48H,2-10,24H2,1H3,(H,44,50)(H,45,46)

smiles:
O=C(NC1=CC=C(Cl)C(=C1)NC2=NN(C(=O)C2)C=3C(Cl)=CC(Cl)=CC3Cl)C(OC4=CC=C(C=C4)S(=O)(=O)C5=CC=C(O)C=C5)CCCCCCCCCC


name: Tozadenant
cas: 870070-55-6
formula: C19H26N4O4S
inchikey: XNBRWUQWSKXMPW-UHFFFAOYSA-N
norman_susdat_id: NS00071044
pubchem_cid: 11618368
smiles: COc1ccc(N2CCOCC2)c2sc(NC(=O)N3CCC(C)(O)CC3)nc12
inchi:
InChI=1S/C19H26N4O4S/c1-19(25)5-7-23(8-6-19)18(24)21-17-20-15-14(26-2)4-3-13(16(15)28-17)22-9-11-27-12-10-22/h3-4,25H,5-12H2,1-2H3,(H,20,21,24)


name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Nonadecafluoroundecan-1-ol
cas: 87017-97-8
dtxsid: DTXSID00551729
formula: C11H5F19O
inchikey: HHWOBBVYBVGMFY-UHFFFAOYSA-N
norman_susdat_id: NS00108817
smiles: OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H5F19O/c12-3(13,1-2-31)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)11(28,29)30/h31H,1-2H2


name: 4-Cyano-4-{[(dodecylsulfanyl)carbonothioyl]sulfanyl}pentanoic acid
cas: 870196-80-8
chemspiderid: 22516323
dtxsid: DTXSID70722803
formula: C19H33N1O2S3
inchikey: RNTXYZIABJIFKQ-UHFFFAOYSA-N
norman_susdat_id: NS00015586
pubchem_cid: 57354956
smiles: CCCCCCCCCCCCSC(=S)SC(C)(CCC(=O)O)C#N
inchi:
InChI=1S/C19H33NO2S3/c1-3-4-5-6-7-8-9-10-11-12-15-24-18(23)25-19(2,16-20)14-13-17(21)22/h3-15H2,1-2H3,(H,21,22)


name: Letaxaban
cas: 870262-90-1
formula: C22H26ClN3O5S
inchikey: GEHAEMCVKDPMKO-HXUWFJFHSA-N
norman_susdat_id: NS00071040
pubchem_cid: 11641515
smiles: O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCCNC2=O)CC1
inchi:
InChI=1S/C22H26ClN3O5S/c23-17-4-2-16-13-19(5-3-15(16)12-17)32(30,31)14-20(27)21(28)25-10-6-18(7-11-25)26-9-1-8-24-22(26)29/h2-5,12-13,18,20,27H,1,6-11,14H2,(H,24,29)/t20-/m1/s1


name: Idelalisib
cas: 870281-82-6
chebiid: CHEBI:82701
dtxsid: DTXSID701007266
formula: C22H18FN7O
inchikey: IFSDAJWBUCMOAH-HNNXBMFYSA-N
norman_susdat_id: NS00071041
pubchem_cid: 11625818
smiles: CC[C@H](Nc1ncnc2[nH]cnc12)c1nc2cccc(F)c2c(=O)n1-c1ccccc1
inchi:
InChI=1S/C22H18FN7O/c1-2-15(28-20-18-19(25-11-24-18)26-12-27-20)21-29-16-10-6-9-14(23)17(16)22(31)30(21)13-7-4-3-5-8-13/h3-12,15H,2H2,1H3,(H2,24,25,26,27,28)/t15-/m0/s1


name: decarbamoylgonyautoxin-3
cas: 87038-53-7
chemspiderid: 97261
formula: C9H16N6O7S1
inchikey: AJLCXXKDNUGKKH-LIIKNNTCSA-N
norman_susdat_id: NS00006131
pubchem_cid: 49789095
smiles: NC1=N[C@@]23[C@@H](N1)[C@H](CO)N=C(N)N2CC(OS(O)(=O)=O)C3(O)O
inchi:
InChI=1S/C9H16N6O7S/c10-6-13-5-3(2-16)12-7(11)15-1-4(22-23(19,20)21)9(17,18)8(5,15)14-6/h3-5,16-18H,1-2H2,(H2,11,12)(H3,10,13,14)(H,19,20,21)/t3-,4?,5-,8-/m0/s1


name: Ritanserin
cas: 87051-43-2
chebiid: CHEBI:64195
dtxsid: DTXSID9042594
formula: C27H25F2N3OS
inchikey: JUQLTPCYUFPYKE-UHFFFAOYSA-N
norman_susdat_id: NS00068305
pubchem_cid: 5074
smiles: Cc1nc2sccn2c(=O)c1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1
inchi:
InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3


name: Bis(dodecylsulfanylthiocarbonyl) disulfide
cas: 870532-86-8
dtxsid: DTXSID40470687
formula: C26H50S6
inchikey: UUNRYKCXJSDLRD-UHFFFAOYSA-N
norman_susdat_id: NS00113639
smiles: CCCCCCCCCCCCSC(=S)SSC(=S)SCCCCCCCCCCCC
inchi:
InChI=1S/C26H50S6/c1-3-5-7-9-11-13-15-17-19-21-23-29-25(27)31-32-26(28)30-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3


name: quinagolide
cas: 87056-78-8
chemspiderid: 50251
formula: C20H33N3O3S1
inchikey: GDFGTRDCCWFXTG-UHFFFAOYSA-N
norman_susdat_id: NS00004172
pubchem_cid: 55645
smiles: CCCN1CC(CC2Cc3c(O)cccc3CC12)NS(=O)(=O)N(CC)CC
inchi:
InChI=1S/C20H33N3O3S/c1-4-10-22-14-17(21-27(25,26)23(5-2)6-3)11-16-12-18-15(13-19(16)22)8-7-9-20(18)24/h7-9,16-17,19,21,24H,4-6,10-14H2,1-3H3


name: Butyl methoxydibenzoylmethane
cas: 87075-14-7
chemspiderid: 8098343
formula: C20H22O3
inchikey: TYYHDKOVFSVWON-UHFFFAOYSA-N
norman_susdat_id: NS00010311
pubchem_cid: 9922708
smiles: CCCCC(C(=O)C1=CC=CC=C1)(C(=O)C2=CC=CC=C2)OC
inchi:
InChI=1S/C20H22O3/c1-3-4-15-20(23-2,18(21)16-11-7-5-8-12-16)19(22)17-13-9-6-10-14-17/h5-14H,3-4,15H2,1-2H3


name: 4-hydroxypropranololsulfate
cas: 87075-33-0
chemspiderid: 119654
formula: C16H21N1O6S1
inchikey: ODCKICSDIPVTRM-UHFFFAOYSA-N
norman_susdat_id: NS00040776
pubchem_cid: 135862
smiles: CC(C)NCC(O)COc1ccc(OS(O)(=O)=O)c2ccccc12
inchi:
InChI=1S/C16H21NO6S/c1-11(2)17-9-12(18)10-22-15-7-8-16(23-24(19,20)21)14-6-4-3-5-13(14)15/h3-8,11-12,17-18H,9-10H2,1-2H3,(H,19,20,21)


name: (Z,Z)-N-octadec-9-enyldocos-13-enamide
cas: 87075-62-5
formula: C40H77NO
inchikey: SFUDABXTUIYDDF-ZZSQLFNXSA-N
norman_susdat_id: NS00064874
pubchem_cid: 3021141
smiles: O=C(NCCCCCCCCC=CCCCCCCCC)CCCCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C40H77NO/c1-3-5-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-40(42)41-39-37-35-33-31-29-27-25-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-39H2,1-2H3,(H,41,42)


name: Leptomycin B
cas: 87081-35-4
chebiid: CHEBI:52646
chemspiderid: 5293127
dtxsid: DTXSID9036698
formula: C33H48O6
inchikey: YACHGFWEQXFSBS-XYERBDPFSA-N
norman_susdat_id: NS00011728
pubchem_cid: 6917907
inchi:
InChI=1S/C33H48O6/c1-9-28(14-15-29-24(5)13-16-31(36)39-29)19-22(3)12-10-11-21(2)17-25(6)32(37)27(8)33(38)26(7)18-23(4)20-30(34)35/h10-11,13-17,19-20,22,24-27,29,33,38H,9,12,18H2,1-8H3,(H,34,35)/b11-10+,15-14+,21-17+,23-20+,28-19-/t22-,24+,25-,26+,27-,29+,33-/m1/s1

smiles:
CC/C(=C/[C@H](C)C/C=C/C(=C/[C@@H](C)C(=O)[C@@H](C)[C@@H]([C@@H](C)C/C(=C/C(=O)O)/C)O)/C)/C=C/[C@H]1[C@H](C=CC(=O)O1)C


name: Leptomycin A
cas: 87081-36-5
chemspiderid: 4532103
formula: C32H46O6
inchikey: QECBVZBMGUAZDL-DLWOFZAMSA-N
norman_susdat_id: NS00011727
pubchem_cid: 5384875
smiles: CC1C=CC(=O)OC1/C=C/C(=C/C(C)C/C=C/C(=C/C(C)C(=O)C(C)C(C(C)C/C(=C/C(=O)O)/C)O)/C)/C
inchi:
InChI=1S/C32H46O6/c1-20(16-22(3)12-14-28-24(5)13-15-30(35)38-28)10-9-11-21(2)17-25(6)31(36)27(8)32(37)26(7)18-23(4)19-29(33)34/h9,11-17,19-20,24-28,32,37H,10,18H2,1-8H3,(H,33,34)/b11-9+,14-12+,21-17+,22-16+,23-19+


name: MK-0893
cas: 870823-12-4
dtxsid: DTXSID40468726
formula: C32H27Cl2N3O4
inchikey: DNTVJEMGHBIUMW-IBGZPJMESA-N
norman_susdat_id: NS00072925
pubchem_cid: 11570626
smiles: COc1ccc2cc(-c3cc(-c4cc(Cl)cc(Cl)c4)nn3[C@@H](C)c3ccc(C(=O)NCCC(=O)O)cc3)ccc2c1
inchi:
InChI=1S/C32H27Cl2N3O4/c1-19(20-3-5-21(6-4-20)32(40)35-12-11-31(38)39)37-30(18-29(36-37)25-14-26(33)17-27(34)15-25)24-8-7-23-16-28(41-2)10-9-22(23)13-24/h3-10,13-19H,11-12H2,1-2H3,(H,35,40)(H,38,39)/t19-/m0/s1


name: E 2012
cas: 870843-42-8
dtxsid: DTXSID30468614
formula: C25H26FN3O2
inchikey: PUOAETJYKQITMO-LANLRWRYSA-N
norman_susdat_id: NS00072140
pubchem_cid: 11560787
smiles: COc1cc(/C=C2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)ccc1-n1cnc(C)c1
inchi:
InChI=1S/C25H26FN3O2/c1-17-15-28(16-27-17)23-11-6-19(14-24(23)31-3)13-21-5-4-12-29(25(21)30)18(2)20-7-9-22(26)10-8-20/h6-11,13-16,18H,4-5,12H2,1-3H3/b21-13+/t18-/m0/s1


name: 2-[4-(3-{[1-(naphthalen-1-yl)ethyl]amino}pyrrolidin-1-yl)phenyl]acetic acid
cas: 870964-67-3
formula: C24H26N2O2
inchikey: RZNUIYPHQFXBAN-XLIONFOSSA-N
norman_susdat_id: NS00073438
pubchem_cid: 71242808
smiles: C[C@@H](N[C@H]1CCN(c2ccc(CC(=O)O)cc2)C1)c1cccc2ccccc12
inchi:
InChI=1S/C24H26N2O2/c1-17(22-8-4-6-19-5-2-3-7-23(19)22)25-20-13-14-26(16-20)21-11-9-18(10-12-21)15-24(27)28/h2-12,17,20,25H,13-16H2,1H3,(H,27,28)/t17-,20+/m1/s1


cas: 870998-78-0
dtxsid: DTXSID60883073
norman_susdat_id: NS00111002
name:
Oxetane, 2,2,3,3-tetrafluoro-, homopolymer, fluorinated, reduced, mono[3-(trimethoxysilyl)propyl] ether


name: 9-Octadecen-1-aminium, N-(carboxymethyl)-N,N-dimethyl-, inner salt, (9Z)-
cas: 871-37-4
chemspiderid: 5289174
dtxsid: DTXSID6061230
formula: C22H44N1O2
inchikey: AMRBZKOCOOPYNY-QXMHVHEDSA-O
norman_susdat_id: NS00013923
pubchem_cid: 6912901
smiles: CCCCCCCCC=C/CCCCCCCC[N+](C)(C)CC([O-])=O
inchi:
InChI=1S/C22H43NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23(2,3)21-22(24)25/h11-12H,4-10,13-21H2,1-3H3/b12-11-


name: Octadecanedioic acid
cas: 871-70-5
chebiid: CHEBI:133086
chemspiderid: 63283
dtxsid: DTXSID1074331
formula: C18H34O4
inchikey: BNJOQKFENDDGSC-UHFFFAOYSA-N
norman_susdat_id: NS00006357
pubchem_cid: 70095
smiles: OC(=O)CCCCCCCCCCCCCCCCC(O)=O
inchi:
InChI=1S/C18H34O4/c19-17(20)15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18(21)22/h1-16H2,(H,19,20)(H,21,22)


name: N-(2-Aminoethyl)stearamide
cas: 871-79-4
chemspiderid: 63286
dtxsid: DTXSID30236133
formula: C20H42N2O1
inchikey: FZEIBCVEQZOUQH-UHFFFAOYSA-N
norman_susdat_id: NS00021379
pubchem_cid: 70098
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCN
inchi:
InChI=1S/C20H42N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)22-19-18-21/h2-19,21H2,1H3,(H,22,23)


name: Trabodenoson
cas: 871108-05-3
dtxsid: DTXSID90236139
formula: C15H20N6O6
inchikey: AQLVRTWKJDTWQQ-SDBHATRESA-N
norman_susdat_id: NS00072168
pubchem_cid: 11610599
smiles: O=[N+]([O-])OC[C@H]1O[C@@H](n2cnc3c(NC4CCCC4)ncnc32)[C@H](O)[C@@H]1O
inchi:
InChI=1S/C15H20N6O6/c22-11-9(5-26-21(24)25)27-15(12(11)23)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,22-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1


name: 3-[2,2,3,3,4,4-Hexafluoro-4-(heptafluoropropoxy)butanamido]-N,N-dimethylpropan-1-amine N-oxide
cas: 87112-48-9
dtxsid: DTXSID70896553
formula: C12H13F13N2O3
inchikey: FNPQQUYBBRHUFI-UHFFFAOYSA-N
norman_susdat_id: NS00111499
smiles: C[N+](C)([O-])CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H13F13N2O3/c1-27(2,29)5-3-4-26-6(28)7(13,14)8(15,16)11(22,23)30-12(24,25)9(17,18)10(19,20)21/h3-5H2,1-2H3,(H,26,28)


name: 4,4'-[(6-Hydroxy-1,3,5-trimethylcyclohex-4-ene-1,3-diyl)bis(methylene)]bis(2,6-di-tert-butylphenol)
cas: 87113-78-8
dtxsid: DTXSID30698656
formula: C39H60O3
inchikey: BUZQSUSEQHVGCB-UHFFFAOYSA-N
norman_susdat_id: NS00066883
smiles: CC1=CC(C)(CC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)CC(C)(CC2=CC(=C(O)C(=C2)C(C)(C)C)C(C)(C)C)C1O
inchi:
InChI=1S/C39H60O3/c1-24-20-38(14,21-25-16-27(34(2,3)4)31(40)28(17-25)35(5,6)7)23-39(15,33(24)42)22-26-18-29(36(8,9)10)32(41)30(19-26)37(11,12)13/h16-20,33,40-42H,21-23H2,1-15H3


name: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 3-dibutylaminopropionate
cas: 871210-22-9
chemspiderid: 4576340
formula: C19H26F13N1O2
inchikey: PVWBDQDATFFARD-UHFFFAOYSA-N
norman_susdat_id: NS00004412
pubchem_cid: 5463772
smiles: CCCCN(CCCC)CCC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C19H26F13NO2/c1-3-5-9-33(10-6-4-2)11-7-13(34)35-12-8-14(20,21)15(22,23)16(24,25)17(26,27)18(28,29)19(30,31)32/h3-12H2,1-2H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorohenicosane
cas: 871311-23-8
dtxsid: DTXSID90895321
formula: C21H27F17
inchikey: NSIPJGPFVCQTLA-UHFFFAOYSA-N
norman_susdat_id: NS00112077
smiles: CCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C21H27F17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(22,23)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h2-13H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluorotricosane
cas: 871311-24-9
dtxsid: DTXSID10895343
formula: C23H31F17
inchikey: XVPKYBWEMFZZBF-UHFFFAOYSA-N
norman_susdat_id: NS00109330
smiles: CCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C23H31F17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(24,25)17(26,27)18(28,29)19(30,31)20(32,33)21(34,35)22(36,37)23(38,39)40/h2-15H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoropentacosane
cas: 871311-25-0
dtxsid: DTXSID30826513
formula: C25H35F17
inchikey: XZMHQGNALQAGNL-UHFFFAOYSA-N
norman_susdat_id: NS00109906
smiles: CCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C25H35F17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)24(38,39)25(40,41)42/h2-17H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoroheptacosane
cas: 871311-26-1
dtxsid: DTXSID80881379
formula: C27H39F17
inchikey: FREOHYPICVRTKK-UHFFFAOYSA-N
norman_susdat_id: NS00111628
smiles: CCCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C27H39F17/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(28,29)21(30,31)22(32,33)23(34,35)24(36,37)25(38,39)26(40,41)27(42,43)44/h2-19H2,1H3


name: 2-ethylhexyl 2-acetyl-5-phenylpenta-2,4-dienoate
cas: 87148-01-4
formula: C21H28O3
inchikey: COGSJLDNUHGNQV-UHFFFAOYSA-N
norman_susdat_id: NS00064875
pubchem_cid: 3021144
smiles: O=C(OCC(CC)CCCC)C(=CC=CC=1C=CC=CC1)C(=O)C
inchi:
InChI=1/C21H28O3/c1-4-6-11-18(5-2)16-24-21(23)20(17(3)22)15-10-14-19-12-8-7-9-13-19/h7-10,12-15,18H,4-6,11,16H2,1-3H3


cas: 871558-71-3
dtxsid: DTXSID40882867
norman_susdat_id: NS00110310
name:
Polychloroethene-co-(cyclohexan-1-yl methacrylate)-co-(oxiran-2-ylmethyl methacrylate)-co-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl methacrylate)


cas: 871576-03-3
dtxsid: DTXSID301007371
formula: C27H36BN3O7
inchikey: PAOGOXGDGABPSC-SGNDLWITSA-N
norman_susdat_id: NS00073514
pubchem_cid: 9871747
smiles: COCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccccc1)NC(=O)OCc1ccccc1)B(O)O
name:
1-{N-[(Benzyloxy)(hydroxy)methylidene]phenylalanyl}-N-(1-borono-4-methoxybutyl)pyrrolidine-2-carboximidic acid

inchi:
InChI=1S/C27H36BN3O7/c1-37-17-9-15-24(28(35)36)30-25(32)23-14-8-16-31(23)26(33)22(18-20-10-4-2-5-11-20)29-27(34)38-19-21-12-6-3-7-13-21/h2-7,10-13,22-24,35-36H,8-9,14-19H2,1H3,(H,29,34)(H,30,32)/t22-,23+,24+/m1/s1


name: Trametinib
cas: 871700-17-3
chebiid: CHEBI:75998
chemspiderid: 9881833
formula: C26H23F1I1N5O4
inchikey: LIRYPHYGHXZJBZ-UHFFFAOYSA-N
norman_susdat_id: NS00040692
pubchem_cid: 11707110
smiles: CC(=O)Nc1cccc(c1)-n1c2c(C)c(=O)n(C)c(Nc3ccc(I)cc3F)c2c(=O)n(C2CC2)c1=O
inchi:
InChI=1S/C26H23FIN5O4/c1-13-22-21(23(31(3)24(13)35)30-20-10-7-15(28)11-19(20)27)25(36)33(17-8-9-17)26(37)32(22)18-6-4-5-16(12-18)29-14(2)34/h4-7,10-12,17,30H,8-9H2,1-3H3,(H,29,34)


name: Spiradoline
cas: 87173-97-5
dtxsid: DTXSID1048679
formula: C22H30Cl2N2O2
inchikey: NYKCGQQJNVPOLU-ONTIZHBOSA-N
norman_susdat_id: NS00069033
pubchem_cid: 55652
smiles: CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CC[C@@]2(CCCO2)C[C@@H]1N1CCCC1
inchi:
InChI=1S/C22H30Cl2N2O2/c1-25(21(27)14-16-5-6-17(23)18(24)13-16)19-7-9-22(8-4-12-28-22)15-20(19)26-10-2-3-11-26/h5-6,13,19-20H,2-4,7-12,14-15H2,1H3/t19-,20-,22-/m0/s1


name: 2-Anthracenesulfonic acid, 1-amino-9,10-dihydro-9,10-dioxo-4-[[3-[(1-oxopropyl)amino]phenyl]amino]-
cas: 87186-92-3
chemspiderid: 152285
dtxsid: DTXSID40888682
formula: C23H19N3O6S1
inchikey: VXTMMTJFULCPPG-UHFFFAOYSA-N
norman_susdat_id: NS00040743
pubchem_cid: 174616
smiles: CCC(=O)Nc1cccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(O)(=O)=O)c1
inchi:
InChI=1S/C23H19N3O6S/c1-2-18(27)26-13-7-5-6-12(10-13)25-16-11-17(33(30,31)32)21(24)20-19(16)22(28)14-8-3-4-9-15(14)23(20)29/h3-11,25H,2,24H2,1H3,(H,26,27)(H,30,31,32)


name: Rabeximod
cas: 872178-65-9
dtxsid: DTXSID701007428
formula: C22H24ClN5O
inchikey: PDNNUMNEXITLCZ-UHFFFAOYSA-N
norman_susdat_id: NS00072532
pubchem_cid: 56841552
smiles: Cc1cc2nc3c4cc(Cl)ccc4n(CC(=O)NCCN(C)C)c3nc2cc1C
inchi:
InChI=1S/C22H24ClN5O/c1-13-9-17-18(10-14(13)2)26-22-21(25-17)16-11-15(23)5-6-19(16)28(22)12-20(29)24-7-8-27(3)4/h5-6,9-11H,7-8,12H2,1-4H3,(H,24,29)


name: Emedastine
cas: 87233-61-2
chebiid: CHEBI:4779
chemspiderid: 3106
dtxsid: DTXSID7048243
formula: C17H26N4O1
inchikey: KBUZBQVCBVDWKX-UHFFFAOYSA-N
norman_susdat_id: NS00008992
pubchem_cid: 3219
smiles: CCOCCn1c(nc2ccccc12)N1CCCN(C)CC1
inchi:
InChI=1S/C17H26N4O/c1-3-22-14-13-21-16-8-5-4-7-15(16)18-17(21)20-10-6-9-19(2)11-12-20/h4-5,7-8H,3,6,9-14H2,1-2H3


name: 3-Butyl-1-methyl-1H-imidazolium N,N-bis(perfluorobutanesulfonyl)amide
cas: 872345-66-9
dtxsid: DTXSID20897030
formula: C16H17F18N3O4S2
inchikey: GPJMQJWDAKPFTJ-UHFFFAOYSA-O
norman_susdat_id: NS00109803
inchi:
InChI=1/C8F18NO4S2.C8H16N2/c9-1(10,5(17,18)19)3(13,14)7(23,24)32(28,29)27-33(30,31)8(25,26)4(15,16)2(11,12)6(20,21)22;1-3-4-5-10-7-6-9(2)8-10/h;6-7H,3-5,8H2,1-2H3/q-1;/p+1

smiles:
CCCCN1C[NH+](C)C=C1.FC(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: (8-hydroxyquinolin-7-yl)methyl dibutyldithiocarbamate
cas: 87236-71-3
dtxsid: DTXSID80236229
formula: C19H26N2OS2
inchikey: GHUMBRRHICYOPL-UHFFFAOYSA-N
norman_susdat_id: NS00064970
pubchem_cid: 56842532
smiles: S=C(SCC1=CC=C2C=CC=NC2=C1O)N(CCCC)CCCC
inchi:
InChI=1/C19H26N2OS2/c1-3-5-12-21(13-6-4-2)19(23)24-14-16-10-9-15-8-7-11-20-17(15)18(16)22/h7-11,22H,3-6,12-14H2,1-2H3


name: Fevipiprant
cas: 872365-14-5
formula: C19H17F3N2O4S
inchikey: GFPPXZDRVCSVNR-UHFFFAOYSA-N
norman_susdat_id: NS00072497
pubchem_cid: 23582412
smiles: Cc1c(CC(=O)O)c2cccnc2n1Cc1ccc(S(C)(=O)=O)cc1C(F)(F)F
inchi:
InChI=1S/C19H17F3N2O4S/c1-11-15(9-17(25)26)14-4-3-7-23-18(14)24(11)10-12-5-6-13(29(2,27)28)8-16(12)19(20,21)22/h3-8H,9-10H2,1-2H3,(H,25,26)


name: Haloxyfop-etotyl
cas: 87237-48-7
chebiid: CHEBI:136736
chemspiderid: 82841
dtxsid: DTXSID9058492
formula: C19H19Cl1F3N1O5
inchikey: MIJLZGZLQLAQCM-UHFFFAOYSA-N
norman_susdat_id: NS00000150
pubchem_cid: 91743
smiles: CCOCCOC(=O)C(C)OC1=CC=C(C=C1)OC2=C(C=C(C=N2)C(F)(F)F)Cl
inchi:
InChI=1S/C19H19ClF3NO5/c1-3-26-8-9-27-18(25)12(2)28-14-4-6-15(7-5-14)29-17-16(20)10-13(11-24-17)19(21,22)23/h4-7,10-12


name: Cefpodoxime proxetil
cas: 87239-81-4
chebiid: CHEBI:3505
chemspiderid: 5014485
dtxsid: DTXSID1022766
formula: C21H27N5O9S2
inchikey: LTINZAODLRIQIX-FBXRGJNPSA-N
norman_susdat_id: NS00011565
pubchem_cid: 6526396
smiles: CC(C)OC(=O)OC(C)OC(=O)C1=C(CS[C@H]2N1C(=O)[C@H]2NC(=O)/C(=NOC)/c3csc(n3)N)COC
inchi:
InChI=1S/C21H27N5O9S2/c1-9(2)33-21(30)35-10(3)34-19(29)15-11(6-31-4)7-36-18-14(17(28)26(15)18)24-16(27)13(25-32-5)12-8-37-20(22)23-12/h8-10,14,18H,6-7H2,1-5H3,(H2,22,23)(H,24,27)/b25-13-/t10?,14-,18-/m1/s1


name: 1-deoxy-1-[methyl(1-oxododecyl)amino]-D-glucitol
cas: 87246-72-8
dtxsid: DTXSID80236108
formula: C19H39NO6
inchikey: OGUKJRCPWCNIQL-QFHJOOASSA-N
norman_susdat_id: NS00066179
pubchem_cid: 10948838
smiles: O=C(N(C)CC(O)C(O)C(O)C(O)CO)CCCCCCCCCCC
inchi:
InChI=1/C19H39NO6/c1-3-4-5-6-7-8-9-10-11-12-17(24)20(2)13-15(22)18(25)19(26)16(23)14-21/h15-16,18-19,21-23,25-26H,3-14H2,1-2H3


name: Nvp-bgj398
cas: 872511-34-7
chebiid: CHEBI:63451
dtxsid: DTXSID70236238
formula: C26H31Cl2N7O3
inchikey: QADPYRIHXKWUSV-UHFFFAOYSA-N
norman_susdat_id: NS00072945
pubchem_cid: 53235510
smiles: CCN1CCN(c2ccc(Nc3cc(N(C)C(=O)Nc4c(Cl)c(OC)cc(OC)c4Cl)ncn3)cc2)CC1
inchi:
InChI=1S/C26H31Cl2N7O3/c1-5-34-10-12-35(13-11-34)18-8-6-17(7-9-18)31-21-15-22(30-16-29-21)33(2)26(36)32-25-23(27)19(37-3)14-20(38-4)24(25)28/h6-9,14-16H,5,10-13H2,1-4H3,(H,32,36)(H,29,30,31)


name: 1-Amino-6-Cyclohex-3-Enylmethyloxypurine
cas: 872556-74-6
dtxsid: DTXSID90332206
formula: C13H18N4O
inchikey: VPUIDVRYMVIXGO-UHFFFAOYSA-N
norman_susdat_id: NS00071624
pubchem_cid: 445967
smiles: Nc1cc2[nH]cnc2c(OCC2CCCCC2)n1
inchi:
InChI=1S/C13H18N4O/c14-11-6-10-12(16-8-15-10)13(17-11)18-7-9-4-2-1-3-5-9/h6,8-9H,1-5,7H2,(H2,14,17)(H,15,16)


name: 4-butyl-2-cyanophenyl trans-p-(4-propylcyclohexyl)benzoate
cas: 87260-25-1
dtxsid: DTXSID101007470
formula: C27H33NO2
inchikey: WYTBUBSHICZERC-UHFFFAOYSA-N
norman_susdat_id: NS00064971
pubchem_cid: 15597044
smiles: N#CC1=CC(=CC=C1OC(=O)C2=CC=C(C=C2)C3CCC(CCC)CC3)CCCC
inchi:
InChI=1/C27H33NO2/c1-3-5-7-21-10-17-26(25(18-21)19-28)30-27(29)24-15-13-23(14-16-24)22-11-8-20(6-4-2)9-12-22/h10,13-18,20,22H,3-9,11-12H2,1-2H3


name: 1-Methyl-3-((perfluorobutyl)ethyl)-1H-imidazolium N,N-bis(perfluoromethansulfonyl)amide
cas: 872672-61-2
dtxsid: DTXSID40897017
formula: C12H12F15N3O4S2
inchikey: IVQODHSYCBTSSC-UHFFFAOYSA-O
norman_susdat_id: NS00110488
smiles: FC(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F.C[NH+]1CN(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1
inchi:
InChI=1/C10H11F9N2.C2F6NO4S2/c1-20-4-5-21(6-20)3-2-7(11,12)8(13,14)9(15,16)10(17,18)19;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-5H,2-3,6H2,1H3;/q;-1/p+1


name: Ramiprilat
cas: 87269-97-4
chebiid: CHEBI:77363
chemspiderid: 4576531
formula: C21H28N2O5
inchikey: KEDYTOTWMPBSLG-HILJTLORSA-N
norman_susdat_id: NS00009912
pubchem_cid: 5464096
smiles: C[C@H](N[C@@H](CCc1ccccc1)C(O)=O)C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(O)=O
inchi:
InChI=1S/C21H28N2O5/c1-13(22-16(20(25)26)11-10-14-6-3-2-4-7-14)19(24)23-17-9-5-8-15(17)12-18(23)21(27)28/h2-4,6-7,13,15-18,22H,5,8-12H2,1H3,(H,25,26)(H,27,28)/t13-,15-,16-,17-,18-/m0/s1


name: Lead dibenzoate
cas: 873-54-1
formula: C7H6O2.1/2Pb
inchikey: HEYYNPBHZQPMJJ-UHFFFAOYSA-L
norman_susdat_id: NS00079933
smiles: [Pb+2].[O-]C(=O)c1ccccc1.[O-]C(=O)c1ccccc1
inchi:
InChI=1/2C7H6O2.Pb.2H/c2*8-7(9)6-4-2-1-3-5-6;;;/h2*1-5H,(H,8,9);;;/q;;+4;;/p-2/r2C7H6O2.H2Pb/c2*8-7(9)6-4-2-1-3-5-6;/h2*1-5H,(H,8,9);1H2/q;;+4/p-2


name: Ivacaftor
cas: 873054-44-5
chebiid: CHEBI:66901
chemspiderid: 17347474
dtxsid: DTXSID00236281
formula: C24H28N2O3
inchikey: PURKAOJPTOLRMP-UHFFFAOYSA-N
norman_susdat_id: NS00009974
pubchem_cid: 16220172
smiles: CC(C)(C)c1cc(c(NC(=O)c2c[nH]c3ccccc3c2=O)cc1O)C(C)(C)C
inchi:
InChI=1S/C24H28N2O3/c1-23(2,3)16-11-17(24(4,5)6)20(27)12-19(16)26-22(29)15-13-25-18-10-8-7-9-14(18)21(15)28/h7-13,27H,1-6H3,(H,25,28)(H,26,29)


name: [2-[1,1-dimethyl-2-[(1-oxoallyl)oxy]ethyl]-5-ethyl-1,3-dioxan-5-yl]methyl acrylate
cas: 87320-05-6
dtxsid: DTXSID001007489
formula: C17H26O6
inchikey: YNTQTLGBCMXNFX-UHFFFAOYSA-N
norman_susdat_id: NS00064878
pubchem_cid: 174625
smiles: O=C(OCC(C)(C)C1OCC(COC(=O)C=C)(CO1)CC)C=C
inchi:
InChI=1/C17H26O6/c1-6-13(18)20-9-16(4,5)15-22-11-17(8-3,12-23-15)10-21-14(19)7-2/h6-7,15H,1-2,8-12H2,3-5H3


name: Ramipril
cas: 87333-19-5
chebiid: CHEBI:8774
chemspiderid: 4514937
dtxsid: DTXSID8023551
formula: C23H32N2O5
inchikey: HDACQVRGBOVJII-JBDAPHQKSA-N
norman_susdat_id: NS00004700
pubchem_cid: 6992028
smiles: CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H]2CCC[C@H]2C[C@H]1C(O)=O
inchi:
InChI=1S/C23H32N2O5/c1-3-30-23(29)18(13-12-16-8-5-4-6-9-16)24-15(2)21(26)25-19-11-7-10-17(19)14-20(25)22(27)28/h4-6,8-9,15,17-20,24H,3,7,10-14H2,1-2H3,(H,27,28)/t15-,17-,18-,19-,20-/m0/s1


name: PU-H71
cas: 873436-91-0
dtxsid: DTXSID20236288
formula: C18H21IN6O2S
inchikey: SUPVGFZUWFMATN-UHFFFAOYSA-N
norman_susdat_id: NS00070975
pubchem_cid: 9549213
smiles: CC(C)NCCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21
inchi:
InChI=1S/C18H21IN6O2S/c1-10(2)21-4-3-5-25-17-15(16(20)22-8-23-17)24-18(25)28-14-7-13-12(6-11(14)19)26-9-27-13/h6-8,10,21H,3-5,9H2,1-2H3,(H2,20,22,23)


name: GDC-0152
cas: 873652-48-3
dtxsid: DTXSID00236307
formula: C25H34N6O3S
inchikey: WZRFLSDVFPIXOV-LRQRDZAKSA-N
norman_susdat_id: NS00072994
pubchem_cid: 46940575
smiles: CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1
inchi:
InChI=1S/C25H34N6O3S/c1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17/h3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33)/t16-,19-,21-/m0/s1


name: SID: 174007336
cas: 873697-71-3
formula: C20H24FN5O3
inchikey: RFUBTTPMWSKEIW-UHFFFAOYSA-N
norman_susdat_id: NS00072233
pubchem_cid: 11689883
smiles: COC(=O)N1CCN(Cc2cccc(NC(=O)Nc3ccc(C)nc3)c2F)CC1
inchi:
InChI=1S/C20H24FN5O3/c1-14-6-7-16(12-22-14)23-19(27)24-17-5-3-4-15(18(17)21)13-25-8-10-26(11-9-25)20(28)29-2/h3-7,12H,8-11,13H2,1-2H3,(H2,23,24,27)


name: Fidaxomicin
cas: 873857-62-6
chemspiderid: 8209640
formula: C52H74Cl2O18
inchikey: ZVGNESXIJDCBKN-UHFFFAOYSA-N
norman_susdat_id: NS00040670
pubchem_cid: 46174142
inchi:
InChI=1S/C52H74Cl2O18/c1-13-30-22-26(6)33(56)18-16-15-17-31(23-66-51-45(65-12)42(61)44(29(9)67-51)69-49(64)35-32(14-2)36(53)39(58)37(54)38(35)57)48(63)68-34(28(8)55)20-19-25(5)21-27(7)43(30)70-50-41(60)40(59)46(52(10,11)72-50)71-47(62)24(3)4/h15-17,19,21-22,24,28-30,33-34,40-46,50-51,55-61H,13-14,18,20,23H2,1-12H3

smiles:
CCC1C=C(C)C(O)CC=CC=C(COC2OC(C)C(OC(=O)c3c(O)c(Cl)c(O)c(Cl)c3CC)C(O)C2OC)C(=O)OC(CC=C(C)C=C(C)C1OC1OC(C)(C)C(OC(=O)C(C)C)C(O)C1O)C(C)O


name: (carboxymethyl)dimethyl-3-[(1-oxododecyl)amino]propylammonium hydroxide
cas: 873-94-3
formula: C19H38N2O3
inchikey: RXMUKMSXIXSYOA-UHFFFAOYSA-N
norman_susdat_id: NS00082906
smiles: [OH-].CCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC(=O)O
inchi:
InChI=1/C19H38N2O3.H2O/c1-4-5-6-7-8-9-10-11-12-14-18(22)20-15-13-16-21(2,3)17-19(23)24;/h4-17H2,1-3H3,(H-,20,22,23,24);1H2


name: 1,1,1,2,6,7,7,7-Octafluoro-2,6-bis(heptafluoropropoxy)heptane-3,5-dione
cas: 87405-74-1
dtxsid: DTXSID90896530
formula: C13H2F22O4
inchikey: UNLIPKHWLXWFAN-UHFFFAOYSA-N
norman_susdat_id: NS00112182
smiles: FC(F)(F)C(F)(F)C(F)(F)OC(F)(C(=O)CC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1/C13H2F22O4/c14-4(8(20,21)22,38-12(32,33)6(16,17)10(26,27)28)2(36)1-3(37)5(15,9(23,24)25)39-13(34,35)7(18,19)11(29,30)31/h1H2


name: Benzene, (heptadecafluorooctyl)-
cas: 87405-83-2
dtxsid: DTXSID40447056
formula: C14H5F17
inchikey: CYLIQDNNFMKOLN-UHFFFAOYSA-N
norman_susdat_id: NS00110214
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)C1=CC=CC=C1
inchi:
InChI=1S/C14H5F17/c15-7(16,6-4-2-1-3-5-6)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h1-5H


name: Ch-4987655
cas: 874101-00-5
formula: C20H19F3IN3O5
inchikey: FIMYFEGKMOCQKT-UHFFFAOYSA-N
norman_susdat_id: NS00072498
pubchem_cid: 11548630
smiles: O=C(NOCCO)c1cc(CN2OCCCC2=O)c(F)c(F)c1Nc1ccc(I)cc1F
inchi:
InChI=1S/C20H19F3IN3O5/c21-14-9-12(24)3-4-15(14)25-19-13(20(30)26-31-7-5-28)8-11(17(22)18(19)23)10-27-16(29)2-1-6-32-27/h3-4,8-9,25,28H,1-2,5-7,10H2,(H,26,30)


name: 2â€²-[(4,6-Dimethoxy-1,3,5-triazin-2-yl)carbonyl]-1,1,6â€²-trifluoro-N-methylmethanesulfonanilide
cas: 874195-61-6
chemspiderid: 13134933
dtxsid: DTXSID70236339
formula: C14H13F3N4O5S1
inchikey: GBHVIWKSEHWFDD-UHFFFAOYSA-N
norman_susdat_id: NS00005964
pubchem_cid: 16004663
smiles: COc1nc(OC)nc(n1)C(=O)c1cccc(F)c1N(C)S(=O)(=O)C(F)F
inchi:
InChI=1S/C14H13F3N4O5S/c1-21(27(23,24)12(16)17)9-7(5-4-6-8(9)15)10(22)11-18-13(25-2)20-14(19-11)26-3/h4-6,12H,1-3H3


name: Benzyl N-(2-benzylacryloyl)glycinate
cas: 87428-99-7
chemspiderid: 14766558
dtxsid: DTXSID00531405
formula: C19H19N1O3
inchikey: YKINYFHTXSOMQZ-UHFFFAOYSA-N
norman_susdat_id: NS00001608
pubchem_cid: 13242778
smiles: C=C(Cc1ccccc1)C(=O)NCC(=O)OCc1ccccc1
inchi:
InChI=1S/C19H19NO3/c1-15(12-16-8-4-2-5-9-16)19(22)20-13-18(21)23-14-17-10-6-3-7-11-17/h2-11H,1,12-14H2,(H,20,22)


cas: 87440-96-8
formula: C40H27N7O13S4
inchikey: KKGKMTZFLPUSTR-UHFFFAOYSA-J
norman_susdat_id: NS00064989
pubchem_cid: 135853999
name:
Tetrasodium 3-[[4-[[4-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]-7-sulphonato-1-naphthyl]azo]-1-naphthyl]azo]naphthalene-1,5-disulphonate

inchi:
InChI=1/C40H27N7O13S4.4Na/c41-22-8-10-25-21(16-22)17-38(64(58,59)60)39(40(25)48)47-46-34-14-15-35(30-20-24(61(49,50)51)9-11-28(30)34)45-44-33-13-12-32(26-4-1-2-5-27(26)33)43-42-23-18-31-29(37(19-23)63(55,56)57)6-3-7-36(31)62(52,53)54;;;;/h1-20,48H,41H2,(H,49,50,51)(H,52,53,54)(H,55,56,57)(H,58,59,60);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(N=NC=3C(O)=C4C=CC(N)=CC4=CC3S(=O)(=O)[O-])=CC=C(N=NC5=CC=C(N=NC=6C=C7C(C=CC=C7S(=O)(=O)[O-])=C(C6)S(=O)(=O)[O-])C=8C=CC=CC58)C2C1


name: Intetrix
cas: 87453-65-4
dtxsid: DTXSID00236347
formula: C20H17BrN2O2
inchikey: CIUVSYGSSMUTLH-UHFFFAOYSA-N
norman_susdat_id: NS00076147
smiles: CC1=C2C=CC=NC2=C(O)C=C1.CC1=CC(Br)=C(O)C2=C1C=CC=N2
inchi:
InChI=1S/C10H8BrNO.C10H9NO/c1-6-5-8(11)10(13)9-7(6)3-2-4-12-9;1-7-4-5-9(12)10-8(7)3-2-6-11-10/h2-5,13H,1H3;2-6,12H,1H3


name: [2-(Benzyloxy)-2-oxoethyl](4-phenylbutyl)phosphinic acid
cas: 87460-09-1
chemspiderid: 21168967
dtxsid: DTXSID40525888
formula: C19H23O4P1
inchikey: GVDMCYBWLREELG-UHFFFAOYSA-N
norman_susdat_id: NS00040886
pubchem_cid: 13187470
smiles: OP(=O)(CCCCc1ccccc1)CC(=O)OCc1ccccc1
inchi:
InChI=1S/C19H23O4P/c20-19(23-15-18-12-5-2-6-13-18)16-24(21,22)14-8-7-11-17-9-3-1-4-10-17/h1-6,9-10,12-13H,7-8,11,14-16H2,(H,21,22)


name: 5-Oxo-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxylic acid
cas: 874765-55-6
chemspiderid: 2023385
formula: C12H10F3N1O4
inchikey: XEGOMPWWQGMOQJ-UHFFFAOYSA-N
norman_susdat_id: NS00016998
pubchem_cid: 2741829
smiles: C1C(CN(C1=O)C2=CC=C(C=C2)OC(F)(F)F)C(=O)O
inchi:
InChI=1S/C12H10F3NO4/c13-12(14,15)20-9-3-1-8(2-4-9)16-6-7(11(18)19)5-10(16)17/h1-4,7H,5-6H2,(H,18,19)


name: LY2183240
cas: 874902-19-9
chebiid: CHEBI:92670
chemspiderid: 9682599
formula: C17H17N5O1
inchikey: GZNIYOXWFCDBBJ-UHFFFAOYSA-N
norman_susdat_id: NS00017728
pubchem_cid: 11507802
smiles: CN(C)C(=O)N1C(=NN=N1)CC2=CC=C(C=C2)C3=CC=CC=C3
inchi:
InChI=1S/C17H17N5O/c1-21(2)17(23)22-16(18-19-20-22)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3


name: Compound iv
cas: 87495-31-6
chebiid: CHEBI:3846
dtxsid: DTXSID70236354
formula: C20H26N2O3
inchikey: FKLJPTJMIBLJAV-UHFFFAOYSA-N
norman_susdat_id: NS00068545
pubchem_cid: 55717
smiles: Cc1cc(CCCCCCCOc2ccc(C3=NCCO3)cc2)on1
inchi:
InChI=1S/C20H26N2O3/c1-16-15-19(25-22-16)7-5-3-2-4-6-13-23-18-10-8-17(9-11-18)20-21-12-14-24-20/h8-11,15H,2-7,12-14H2,1H3


name: Sedaxane
cas: 874967-67-6
chebiid: CHEBI:83174
dtxsid: DTXSID2058207
formula: C18H19F2N3O
inchikey: XQJQCBDIXRIYRP-UHFFFAOYSA-N
norman_susdat_id: NS00066832
pubchem_cid: 11688533
smiles: CN1C=C(C(O)=NC2=CC=CC=C2C2CC2C2CC2)C(=N1)C(F)F
inchi:
InChI=1S/C18H19F2N3O/c1-23-9-14(16(22-23)17(19)20)18(24)21-15-5-3-2-4-11(15)13-8-12(13)10-6-7-10/h2-5,9-10,12-13,17H,6-8H2,1H3,(H,21,24)


name: N,N'-(Dithiodi-2,1-ethanediyl)bis(1,3-dihydro-1,3-dioxo-2H-isoindole-2-propionamide)
cas: 87503-54-6
chemspiderid: 57463577
dtxsid: DTXSID90236371
formula: C26H26N4O6S2
inchikey: QLMHYXYANMYGEH-UHFFFAOYSA-N
norman_susdat_id: NS00039199
pubchem_cid: 56842591
smiles: O=C(CCN1C(=O)c2ccccc2C1=O)NCCSSCCNC(=O)CCN1C(=O)c2ccccc2C1=O
inchi:
InChI=1S/C26H26N4O6S2/c31-21(9-13-29-23(33)17-5-1-2-6-18(17)24(29)34)27-11-15-37-38-16-12-28-22(32)10-14-30-25(35)19-7-3-4-8-20(19)26(30)36/h1-8H,9-16H2,(H,27,31)(H,28,32)


name: Quisinostat
cas: 875320-29-9
chebiid: CHEBI:94771
dtxsid: DTXSID90236376
formula: C21H26N6O2
inchikey: PAWIYAYFNXQGAP-UHFFFAOYSA-N
norman_susdat_id: NS00072160
pubchem_cid: 11538455
smiles: Cn1cc(CNCC2CCN(c3ncc(C(=O)NO)cn3)CC2)c2ccccc21
inchi:
InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)


name: Anacetrapib
cas: 875446-37-0
dtxsid: DTXSID90236452
formula: C30H25F10NO3
inchikey: MZZLGJHLQGUVPN-HAWMADMCSA-N
norman_susdat_id: NS00072888
pubchem_cid: 11556427
smiles: COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C
inchi:
InChI=1S/C30H25F10NO3/c1-14(2)22-11-23(25(43-4)12-24(22)31)21-6-5-18(28(32,33)34)9-17(21)13-41-15(3)26(44-27(41)42)16-7-19(29(35,36)37)10-20(8-16)30(38,39)40/h5-12,14-15,26H,13H2,1-4H3/t15-,26-/m0/s1


name: Flumiclorac-pentyl
cas: 87546-18-7
chebiid: CHEBI:5104
chemspiderid: 391348
dtxsid: DTXSID2032554
formula: C21H23Cl1F1N1O5
inchikey: IRECWLYBCAZIJM-UHFFFAOYSA-N
norman_susdat_id: NS00015417
pubchem_cid: 443048
smiles: CCCCCOC(=O)COC1=C(C=C(C(=C1)N2C(=O)C3=C(C2=O)CCCC3)F)Cl
inchi:
InChI=1S/C21H23ClFNO5/c1-2-3-6-9-28-19(25)12-29-18-11-17(16(23)10-15(18)22)24-20(26)13-7-4-5-8-14(13)21(24)27/h10-11H,2-9,12H2,1H3


name: 5-[3-(2-methoxyphenyl)-1h-pyrrolo[2,3-b]pyridin-5-yl]-n,n-dimethylpyridine-3-carboxamide
cas: 875634-01-8
formula: C22H20N4O2
inchikey: GYQRHHQPEMOLKH-UHFFFAOYSA-N
norman_susdat_id: NS00071473
pubchem_cid: 16750094
smiles: COc1ccccc1-c1c[nH]c2ncc(-c3cncc(C(=O)N(C)C)c3)cc12
inchi:
InChI=1S/C22H20N4O2/c1-26(2)22(27)16-8-14(10-23-11-16)15-9-18-19(13-25-21(18)24-12-15)17-6-4-5-7-20(17)28-3/h4-13H,1-3H3,(H,24,25)


cas: 87564-37-2
formula: C66H58Cl2N12O6
inchikey: WSNPNQXSDAXPLM-UHFFFAOYSA-J
norman_susdat_id: NS00066197
pubchem_cid: 56843514
name:
1,1',1'',1'''-[(8,18-dichloro-5,15-diethyl-5,15-dihydrodiindolo[3,2-b:3',2'-m]triphenodioxazinetetrayl)tetrakis[methyleneimino(2-oxoethylene)]]tetrapyridinium tetrachloride

inchi:
InChI=1/C66H58Cl2N12O6.4ClH/c1-3-79-50-20-10-9-19-41(50)42-29-48-53(31-51(42)79)85-65-61(68)63-66(60(67)62(65)73-48)86-54-32-52-43(30-49(54)74-63)59-46(35-71-39-57(83)77-25-15-7-16-26-77)44(33-69-37-55(81)75-21-11-5-12-22-75)45(34-70-38-56(82)76-23-13-6-14-24-76)47(64(59)80(52)4-2)36-72-40-58(84)78-27-17-8-18-28-78;;;;/h5-32,69-72H,3-4,33-40H2,1-2H3;4*1H/q+4;;;;/p-4

smiles:
[Cl-].[Cl-].[Cl-].[Cl-].O=C([N+]=1C=CC=CC1)CNCC2=C3C=4C=C5N=C6C(Cl)=C7OC=8C=C9C(=CC8N=C7C(Cl)=C6OC5=CC4N(C3=C(C(=C2CNCC(=O)[N+]=%10C=CC=CC%10)CNCC(=O)[N+]=%11C=CC=CC%11)CNCC(=O)[N+]=%12C=CC=CC%12)CC)C=%13C=CC=CC%13N9CC


name: (E)-9-Nitrooctadec-9-enoic Acid
cas: 875685-44-2
chebiid: CHEBI:86329
formula: C18H33NO4
inchikey: CQOAKBVRRVHWKV-SAPNQHFASA-N
norman_susdat_id: NS00096526
smiles: CCCCCCCC/C=C(CCCCCCCC(=O)O)/[N+](=O)[O-]
inchi:
InChI=1S/C18H33NO4/c1-2-3-4-5-6-8-11-14-17(19(22)23)15-12-9-7-10-13-16-18(20)21/h14H,2-13,15-16H2,1H3,(H,20,21)/b17-14+


name: 10-Nitro-9E-octadecenoic acid
cas: 875685-46-4
chebiid: CHEBI:86285
formula: C18H33NO4
inchikey: WRADPCFZZWXOTI-BMRADRMJSA-N
norman_susdat_id: NS00096553
smiles: CCCCCCCC/C(=CCCCCCCCC(=O)O)/[N+](=O)[O-]
inchi:
InChI=1S/C18H33NO4/c1-2-3-4-5-8-11-14-17(19(22)23)15-12-9-6-7-10-13-16-18(20)21/h15H,2-14,16H2,1H3,(H,20,21)/b17-15+


name: Ethyl (3aS-(3aalpha,4beta,6aalpha))-hexahydro-2-oxo-1H-thieno(3,4-d)imidazole-4-valerate
cas: 87573-52-2
chemspiderid: NA
dtxsid: DTXSID60236469
formula: C12H20N2O3S1
inchikey: MUWLFTBNWPHSDF-QXEWZRGKSA-N
norman_susdat_id: NS00039204
pubchem_cid: 18602267
smiles: CCOC(=O)CCCCC1SCC2NC(=O)NC12
inchi:
InChI=1S/C12H20N2O3S/c1-2-17-10(15)6-4-3-5-9-11-8(7-18-9)13-12(16)14-11/h8-9,11H,2-7H2,1H3,(H2,13,14,16)/t8-,9+,11-/m0/s1


name: 2-[[4-[(2-cyanoethyl)ethylamino]phenyl]azo]-5-[(4-nitrophenyl)azo]thiophene-3-carbonitrile
cas: 87606-56-2
formula: C22H19N8O2S
inchikey: QFUYAFZLCZKYQH-UHFFFAOYSA-N
norman_susdat_id: NS00064899
pubchem_cid: 14178264
smiles: N#CC=1C=C(N=NC2=CC=C(C=C2)[N+](=O)[O-])SC1N=NC3=CC=C(C=C3)N(CC)CCC#N
inchi:
InChI=1/C22H18N8O2S/c1-2-29(13-3-12-23)19-8-4-18(5-9-19)26-28-22-16(15-24)14-21(33-22)27-25-17-6-10-20(11-7-17)30(31)32/h4-11,14H,2-3,13H2,1H3


name: Hexadecyldimethyl[3-(stearoylamino)propyl]ammonium toluene-p-sulphonate
cas: 87616-36-2
dtxsid: DTXSID00236524
formula: C39H81N2O
inchikey: HNRNSEHDIZRHCT-UHFFFAOYSA-N
norman_susdat_id: NS00066198
pubchem_cid: 56842657
smiles: O=C(NCCC[N+](C)(C)CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC.O=S(=O)([O-])C1=CC=C(C=C1)C
inchi:
InChI=1/C39H80N2O.C7H8O3S/c1-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-35-39(42)40-36-34-38-41(3,4)37-33-31-29-27-25-23-20-18-16-14-12-10-8-6-2;1-6-2-4-7(5-3-6)11(8,9)10/h5-38H2,1-4H3;2-5H,1H3,(H,8,9,10)


name: 1-butyl-5-[(4-chloro-2-nitrophenyl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile
cas: 87617-01-4
formula: C17H17ClN5O4
inchikey: ORDLVUCAZCJSAQ-UHFFFAOYSA-N
norman_susdat_id: NS00065383
pubchem_cid: NA
smiles: N#CC=1C(=O)N(C(O)=C(N=NC2=CC=C(Cl)C=C2[N+](=O)[O-])C1C)CCCC
inchi:
InChI=1/C17H16ClN5O4/c1-3-4-7-22-16(24)12(9-19)10(2)15(17(22)25)21-20-13-6-5-11(18)8-14(13)23(26)27/h5-6,8,25H,3-4,7H2,1-2H3


name: Carumonam
cas: 87638-04-8
chebiid: CHEBI:55486
chemspiderid: 5022832
dtxsid: DTXSID3048312
formula: C12H14N6O10S2
inchikey: UIMOJFJSJSIGLV-JNHMLNOCSA-N
norman_susdat_id: NS00011556
pubchem_cid: 88621644
smiles: c1c(nc(s1)N)/C(=N/OCC(=O)O)/C(=O)N[C@H]2[C@H](N(C2=O)S(=O)(=O)O)COC(=O)N
inchi:
InChI=1S/C12H14N6O10S2/c13-11-15-4(3-29-11)7(17-28-2-6(19)20)9(21)16-8-5(1-27-12(14)23)18(10(8)22)30(24,25)26/h3,5,8H,1-2H2,(H2,13,15)(H2,14,23)(H,16,21)(H,19,20)(H,24,25,26)/b17-7-/t5-,8+/m1/s1


name: Trandolapril
cas: 87679-37-6
chebiid: CHEBI:9649
chemspiderid: 4588590
dtxsid: DTXSID2023692
formula: C24H34N2O5
inchikey: VXFJYXUZANRPDJ-WTNASJBWSA-N
norman_susdat_id: NS00001070
pubchem_cid: 37888437
smiles: CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C(O)=O
inchi:
InChI=1S/C24H34N2O5/c1-3-31-24(30)19(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-20-12-8-7-11-18(20)15-21(26)23(28)29/h4-6,9-10,16,18-21,25H,3,7-8,11-15H2,1-2H3,(H,28,29)/t16-,18+,19-,20-,21-/m0/s1


name: N-(2-((2-((2-Aminoethyl)amino)ethyl)amino)ethyl)myristamide
cas: 87706-76-1
chemspiderid: 2287845
dtxsid: DTXSID70236576
formula: C20H44N4O1
inchikey: GTOFNQJLEKUFQP-UHFFFAOYSA-N
norman_susdat_id: NS00039214
pubchem_cid: 3021155
smiles: CCCCCCCCCCCCCC(=O)NCCNCCNCCN
inchi:
InChI=1S/C20H44N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-20(25)24-19-18-23-17-16-22-15-14-21/h22-23H,2-19,21H2,1H3,(H,24,25)


name: N-(2-((2-((2-Aminoethyl)amino)ethyl)amino)ethyl)hexadecan-1-amide
cas: 87706-78-3
chemspiderid: 2287846
dtxsid: DTXSID30236577
formula: C22H48N4O1
inchikey: VHZCVFYXWVNUHI-UHFFFAOYSA-N
norman_susdat_id: NS00039215
pubchem_cid: 3021156
smiles: CCCCCCCCCCCCCCCC(=O)NCCNCCNCCN
inchi:
InChI=1S/C22H48N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(27)26-21-20-25-19-18-24-17-16-23/h24-25H,2-21,23H2,1H3,(H,26,27)


name: Filibuvir
cas: 877130-28-4
formula: C29H37N5O3
inchikey: SLVAPEZTBDBAPI-GDLZYMKVSA-N
norman_susdat_id: NS00073286
pubchem_cid: 54708673
smiles: CCc1cc(CC[C@]2(C3CCCC3)CC(O)=C(Cc3nc4nc(C)cc(C)n4n3)C(=O)O2)cc(CC)n1
inchi:
InChI=1S/C29H37N5O3/c1-5-22-14-20(15-23(6-2)31-22)11-12-29(21-9-7-8-10-21)17-25(35)24(27(36)37-29)16-26-32-28-30-18(3)13-19(4)34(28)33-26/h13-15,21,35H,5-12,16-17H2,1-4H3/t29-/m1/s1


name: Fenoxaprop-ethyl
cas: 87714-45-2
chebiid: CHEBI:5008
chemspiderid: 43609
dtxsid: DTXSID2032392
formula: C18H16Cl1N1O5
inchikey: PQKBPHSEKWERTG-UHFFFAOYSA-N
norman_susdat_id: NS00000137
pubchem_cid: 47938
smiles: CCOC(=O)C(C)OC1=CC=C(C=C1)OC2=NC3=C(O2)C=C(C=C3)Cl
inchi:
InChI=1S/C18H16ClNO5/c1-3-22-17(21)11(2)23-13-5-7-14(8-6-13)24-18-20-15-9-4-12(19)10-16(15)25-18/h4-11H,3H2,1-2H3


name: Panipenem
cas: 87726-17-8
chebiid: CHEBI:7911
chemspiderid: 16736434
dtxsid: DTXSID20868982
formula: C15H21N3O4S1
inchikey: TYMABNNERDVXID-DLYFRVTGSA-N
norman_susdat_id: NS00011611
pubchem_cid: 40466880
smiles: C[C@H]([C@@H]1[C@H]2CC(=C(N2C1=O)C(=O)O)S[C@H]3CCN(C3)C(=N)C)O
inchi:
InChI=1S/C15H21N3O4S/c1-7(19)12-10-5-11(13(15(21)22)18(10)14(12)20)23-9-3-4-17(6-9)8(2)16/h7,9-10,12,16,19H,3-6H2,1-2H3,(H,21,22)/t7-,9+,10-,12-/m1/s1


name: 4-hydroxy-3-[[2-methoxy-4-(N-methylamino)phenyl]azo]benzenesulphonic acid
cas: 87730-54-9
formula: C14H15N3O5S
inchikey: PHDPCJSXHZUANI-UHFFFAOYSA-N
norman_susdat_id: NS00064900
pubchem_cid: 3021158
smiles: O=S(=O)(O)C1=CC=C(O)C(N=NC2=CC=C(C=C2OC)NC)=C1
inchi:
InChI=1/C14H15N3O5S/c1-15-9-3-5-11(14(7-9)22-2)16-17-12-8-10(23(19,20)21)4-6-13(12)18/h3-8,15,18H,1-2H3,(H,19,20,21)


name: 6,6-dibutyl-4,4,8,8-tetraethoxy-3,5,7,9-tetraoxa-4,8-disila-6-stannaundecane
cas: 87735-26-0
dtxsid: DTXSID4072942
formula: C20H48O8Si2Sn
inchikey: LVILMLNOLVAYLR-UHFFFAOYSA-N
norman_susdat_id: NS00064992
pubchem_cid: NA
smiles: O(CC)[Si](OCC)(OCC)O[Sn](O[Si](OCC)(OCC)OCC)(CCCC)CCCC
inchi:
InChI=1/2C6H15O4Si.2C4H9.Sn/c2*1-4-8-11(7,9-5-2)10-6-3;2*1-3-4-2;/h2*4-6H2,1-3H3;2*1,3-4H2,2H3;/q2*-1;;;+2/rC20H48O8Si2Sn/c1-9-17-19-31(20-18-10-2,27-29(21-11-3,22-12-4)23-13-5)28-30(24-14-6,25-15-7)26-16-8/h9-20H2,1-8H3


name: (R)-5-bromo-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)pyridin-2-amine
cas: 877399-00-3
chemspiderid: 19946265
formula: C13H10Br1Cl2F1N2O1
inchikey: URFUZAZEKBBCEY-UHFFFAOYSA-N
norman_susdat_id: NS00004039
pubchem_cid: 21111478
smiles: CC(Oc1cc(Br)cnc1N)c1c(Cl)ccc(F)c1Cl
inchi:
InChI=1S/C13H10BrCl2FN2O/c1-6(11-8(15)2-3-9(17)12(11)16)20-10-4-7(14)5-19-13(10)18/h2-6H,1H3,(H2,18,19)


name: 3-[1-(2,6-Dichloro-3-fluorophenyl)ethoxy]-5-[1-(piperidin-4-yl)-1H-pyrazol-4-yl]pyridin-2-amine
cas: 877399-52-5
chebiid: CHEBI:77563
chemspiderid: 9772331
dtxsid: DTXSID10469200
formula: C21H22Cl2F1N5O1
inchikey: KTEIFNKAUNYNJU-UHFFFAOYSA-N
norman_susdat_id: NS00004964
pubchem_cid: 11597571
smiles: CC(Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
inchi:
InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)


name: Tetrabutylammonium hydrogen sulphite
cas: 87742-13-0
formula: C16H36N.HO3S
inchikey: RKUPXQGCEBDURP-UHFFFAOYSA-L
norman_susdat_id: NS00092449
smiles: CCCC[N+](CCCC)(CCCC)CCCC.[O-]S(=O)[O-]
inchi:
InChI=1/C16H36N.H2O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;1-4(2)3/h5-16H2,1-4H3;(H2,1,2,3)/q+1;/p-2


name: Ioversol
cas: 87771-40-2
chebiid: CHEBI:31717
chemspiderid: 3610
dtxsid: DTXSID2045521
formula: C18H24I3N3O9
inchikey: AMDBBAQNWSUWGN-UHFFFAOYSA-N
norman_susdat_id: NS00008942
pubchem_cid: 3741
smiles: OCCN(C(=O)CO)c1c(I)c(C(=O)NCC(O)CO)c(I)c(C(=O)NCC(O)CO)c1I
inchi:
InChI=1S/C18H24I3N3O9/c19-13-11(17(32)22-3-8(29)5-26)14(20)16(24(1-2-25)10(31)7-28)15(21)12(13)18(33)23-4-9(30)6-27/h8-9,25-30H,1-7H2,(H,22,32)(H,23,33)


name: Ofornine
cas: 87784-12-1
chemspiderid: 50349
dtxsid: DTXSID60236626
formula: C17H19N3O1
inchikey: YMODINPJYNHPTM-UHFFFAOYSA-N
norman_susdat_id: NS00039221
pubchem_cid: 55754
smiles: O=C(N1CCCCC1)c1c(Nc2ccncc2)cccc1
inchi:
InChI=1S/C17H19N3O/c21-17(20-12-4-1-5-13-20)15-6-2-3-7-16(15)19-14-8-10-18-11-9-14/h2-3,6-11H,1,4-5,12-13H2,(H,18,19)


name: Benzoic acid, 2-[(dioctadecylamino)carbonyl]-
cas: 87787-81-3
chemspiderid: 16260460
dtxsid: DTXSID9072943
formula: C44H79N1O3
inchikey: QWZDGDRJLIDZKT-UHFFFAOYSA-N
norman_susdat_id: NS00020716
pubchem_cid: 12011835
smiles: CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)C(=O)c1c(cccc1)C(=O)O
inchi:
InChI=1S/C44H79NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-39-45(43(46)41-37-33-34-38-42(41)44(47)48)40-36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,37-38H,3-32,35-36,39-40H2,1-2H3,(H,47,48)


name: Fostriecin
cas: 87810-56-8
chemspiderid: 4940932
dtxsid: DTXSID00868985
formula: C19H27O9P1
inchikey: ZMQRJWIYMXZORG-GZIFKOAOSA-N
norman_susdat_id: NS00011778
pubchem_cid: 6436285
smiles: C[C@@](/C=C/[C@@H]1CC=CC(=O)O1)([C@@H](C[C@H](/C=CC=C/C=C/CO)O)OP(=O)(O)O)O
inchi:
InChI=1S/C19H27O9P/c1-19(23,12-11-16-9-7-10-18(22)27-16)17(28-29(24,25)26)14-15(21)8-5-3-2-4-6-13-20/h2-8,10-12,15-17,20-21,23H,9,13-14H2,1H3,(H2,24,25,26)/b3-2-,6-4+,8-5-,12-11+/t15-,16-,17+,19+/m0/s1


name: Exo-(+/-)-1-methyl-4-(1-methylethyl)-2-[(2-methylphenyl)methoxy]-7-oxabicyclo[2.2.1]heptane
cas: 87818-31-3
chebiid: CHEBI:145562
chemspiderid: 163945
formula: C18H26O2
inchikey: QMTNOLKHSWIQBE-UHFFFAOYSA-N
norman_susdat_id: NS00001913
pubchem_cid: 188653
smiles: CC(C)C12CCC(C)(O1)C(C2)OCc1ccccc1C
inchi:
InChI=1S/C18H26O2/c1-13(2)18-10-9-17(4,20-18)16(11-18)19-12-15-8-6-5-7-14(15)3/h5-8,13,16H,9-12H2,1-4H3


name: Tralkoxydim
cas: 87820-88-0
chemspiderid: 17215911
dtxsid: DTXSID1034973
formula: C20H27NO3
inchikey: DQFPEYARZIQXRM-UHFFFAOYSA-N
norman_susdat_id: NS00098683
pubchem_cid: 135474890
smiles: CCC(=NOCC)C1=C(CC(CC1=O)c2c(cc(cc2C)C)C)O
eea_notation: CAS_87820-88-0
inchi:
InChI=1S/C20H27NO3/c1-6-16(21-24-7-2)20-17(22)10-15(11-18(20)23)19-13(4)8-12(3)9-14(19)5/h8-9,15,22H,6-7,10-11H2,1-5H3


cas: 878409-15-5
dtxsid: DTXSID80882886
norman_susdat_id: NS00111677
name:
2-Propenoic acid, mixed hexaesters with dipentaerythritol and 3-[(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)thio]propanoic acid


name: Acrivastine
cas: 87848-99-5
chebiid: CHEBI:83168
chemspiderid: 4447574
dtxsid: DTXSID6022555
formula: C22H24N2O2
inchikey: PWACSDKDOHSSQD-IUTFFREVSA-N
norman_susdat_id: NS00003303
pubchem_cid: 40466858
smiles: Cc1ccc(cc1)C(=C/CN1CCCC1)c1cccc(C=CC(O)=O)n1
inchi:
InChI=1S/C22H24N2O2/c1-17-7-9-18(10-8-17)20(13-16-24-14-2-3-15-24)21-6-4-5-19(23-21)11-12-22(25)26/h4-13H,2-3,14-16H2,1H3,(H,25,26)/b12-11+,20-13+


name: Methyl (E)-3-[6-[1-hydroxy-1-(4-methylphenyl)-3-(1-pyrrolidinyl)propyl]-2-pyridyl]acrylate
cas: 87849-05-6
formula: C23H28N2O3
inchikey: ZRPSDVVHVWUPEC-OUKQBFOZSA-N
norman_susdat_id: NS00066201
pubchem_cid: 5744018
smiles: O=C(OC)C=CC=1N=C(C=CC1)C(O)(C2=CC=C(C=C2)C)CCN3CCCC3
inchi:
InChI=1/C23H28N2O3/c1-18-8-10-19(11-9-18)23(27,14-17-25-15-3-4-16-25)21-7-5-6-20(24-21)12-13-22(26)28-2/h5-13,27H,3-4,14-17H2,1-2H3


cas: 878545-84-7
dtxsid: DTXSID10108324
norman_susdat_id: NS00109126
name:
1-Propene, 1,1,2,3,3,3-hexafluoro-, polymer with 1,1,2,2-tetrafluoroethene, 1,1,2-trifluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethene and 1,1,2-trifluoro-2-(trifluoromethoxy)ethene


name: Desmethylsertraline
cas: 87857-41-8
chemspiderid: 102729
dtxsid: DTXSID60236666
formula: C16H15Cl2N1
inchikey: SRPXSILJHWNFMK-ZBEGNZNMSA-N
norman_susdat_id: NS00000048
pubchem_cid: 114743
smiles: N[C@H]1CC[C@@H](C2=CC(Cl)=C(Cl)C=C2)C2=CC=CC=C12
inchi:
InChI=1S/C16H15Cl2N/c17-14-7-5-10(9-15(14)18)11-6-8-16(19)13-4-2-1-3-12(11)13/h1-5,7,9,11,16H,6,8,19H2/t11-,16-/m0/s1


name: Hydroxytrimethoxy-2H-pyrano[2,3,4-kl]xanthen-2-one
cas: 87865-18-7
formula: C18H14O7
inchikey: UDVCFIVLXUCLAF-UHFFFAOYSA-N
norman_susdat_id: NS00064906
pubchem_cid: NA
smiles: O=C1OC2=C(OC)C(OC)=C(OC)C=3OC=4C=CC=CC4C(=C1O)C23
inchi:
InChI=1/C18H14O7/c1-21-15-13-11-10(8-6-4-5-7-9(8)24-13)12(19)18(20)25-14(11)16(22-2)17(15)23-3/h4-7,19H,1-3H3


name: 1-Butanone, 3-(dodecylthio)-1-(2,6,6-trimethyl-3-cyclohexen-1-yl)-
cas: 878665-13-5
chemspiderid: 57508915
dtxsid: DTXSID40889194
formula: C25H46O1S1
inchikey: LNTJADZLGCWBQH-UHFFFAOYSA-N
norman_susdat_id: NS00008798
pubchem_cid: 59304072
smiles: CCCCCCCCCCCCSC(C)CC(=O)C1C(C)C=CCC1(C)C
inchi:
InChI=1S/C25H46OS/c1-6-7-8-9-10-11-12-13-14-15-19-27-22(3)20-23(26)24-21(2)17-16-18-25(24,4)5/h16-17,21-22,24H,6-15,18-20H2,1-5H3


name: 2-ethylhexyl docosanoate
cas: 87891-59-6
dtxsid: DTXSID501007834
formula: C30H60O2
inchikey: QOQFINCLYXSMAH-UHFFFAOYSA-N
norman_susdat_id: NS00066232
pubchem_cid: 3021166
smiles: O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C30H60O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-30(31)32-28-29(6-3)26-8-5-2/h29H,4-28H2,1-3H3


name: 15-Deoxy-delta12,14-prostaglandin J2
cas: 87893-55-8
chemspiderid: 4470730
dtxsid: DTXSID1043706
formula: C20H28O3
inchikey: VHRUMKCAEVRUBK-SATQDPSZSA-N
norman_susdat_id: NS00016930
pubchem_cid: 11507959
smiles: CCCCCC=CC=C1C(C=CC1=O)CC=CCCCC(=O)O
inchi:
InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+


name: Vismodegib
cas: 879085-55-9
chebiid: CHEBI:66903
dtxsid: DTXSID40236689
formula: C19H14Cl2N2O3S
inchikey: BPQMGSKTAYIVFO-UHFFFAOYSA-N
norman_susdat_id: NS00072471
pubchem_cid: 24776445
smiles: CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3ccccn3)c2)c(Cl)c1
inchi:
InChI=1S/C19H14Cl2N2O3S/c1-27(25,26)13-6-7-14(17(21)11-13)19(24)23-12-5-8-16(20)15(10-12)18-4-2-3-9-22-18/h2-11H,1H3,(H,23,24)


name: Anilinopyrimidine1
cas: 879127-16-9
dtxsid: DTXSID20429557
formula: C21H18F3N5O
inchikey: RDTDWGQDFJPTPD-UHFFFAOYSA-N
norman_susdat_id: NS00071007
pubchem_cid: 9549303
smiles: O=C(Nc1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1)C1CC1
inchi:
InChI=1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(11-14)26-18-9-10-25-20(29-18)28-17-6-2-5-16(12-17)27-19(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,27,30)(H2,25,26,28,29)


name: Tagetitoxin
cas: 87913-21-1
dtxsid: DTXSID20868987
formula: C11H17N2O11PS
inchikey: UVAAUIDYGIWLMB-HGNFPZBQSA-N
norman_susdat_id: NS00070814
pubchem_cid: 5327077
smiles: CC(=O)O[C@@H]1[C@H](N)[C@@H](OP(=O)(O)O)[C@@]2(C(=O)O)CS[C@@](O)(C(N)=O)[C@@H]1O2
inchi:
InChI=1S/C11H17N2O11PS/c1-3(14)22-5-4(12)6(24-25(19,20)21)10(9(16)17)2-26-11(18,8(13)15)7(5)23-10/h4-7,18H,2,12H2,1H3,(H2,13,15)(H,16,17)(H2,19,20,21)/t4-,5+,6+,7+,10+,11+/m0/s1


name: Bromantane
cas: 87913-26-6
dtxsid: DTXSID40405333
formula: C16H20BrN
inchikey: LWJALJDRFBXHKX-UHFFFAOYSA-N
norman_susdat_id: NS00093636
smiles: [H]C12CC3([H])CC([H])(C1)C(NC1=CC=C(Br)C=C1)C([H])(C2)C3
inchi:
InChI=1S/C16H20BrN/c17-14-1-3-15(4-2-14)18-16-12-6-10-5-11(8-12)9-13(16)7-10/h1-4,10-13,16,18H,5-9H2


cas: 87932-78-3
chemspiderid: 4956722
dtxsid: DTXSID40236700
formula: C19H18N2O8S1
inchikey: MSJXQSMNIAQALT-DDUZABMNSA-N
norman_susdat_id: NS00039230
pubchem_cid: 6454400
smiles: CC(=O)OCC1=C(N2C(SC1)C(NC(=O)C(OC=O)c1ccccc1)C2=O)C(=O)O
name:
(6R-(6alpha,7beta(R*)))-3-(Acetoxymethyl)-7-((formyloxy)phenylacetamido)-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid

inchi:
InChI=1S/C19H18N2O8S/c1-10(23)28-7-12-8-30-18-13(17(25)21(18)14(12)19(26)27)20-16(24)15(29-9-22)11-5-3-2-4-6-11/h2-6,9,13,15,18H,7-8H2,1H3,(H,20,24)(H,26,27)/t13-,15-,18-/m1/s1


name: (~2~H_4_)Benzene-1,2-dicarboxylic acid
cas: 87976-26-9
chemspiderid: NA
dtxsid: DTXSID30583538
formula: C25H34N2O7S1
inchikey: STSHDHIVIISPMV-UHFFFAOYSA-N
norman_susdat_id: NS00005762
pubchem_cid: NA
smiles: COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OS(O)(=O)=O)c(O)c2)cc1OC
inchi:
InChI=1S/C25H34N2O7S/c1-18(2)25(17-26,20-8-10-22(21(28)16-20)34-35(29,30)31)12-6-13-27(3)14-11-19-7-9-23(32-4)24(15-19)33-5/h7-10,15-16,18,28H,6,11-14H2,1-5H3,(H,29,30,31)


name: N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonamide
cas: 87988-56-5
chemspiderid: NA
formula: C8H6F13N1O2S1
inchikey: ZIUMOXWDLICQQC-UHFFFAOYSA-N
norman_susdat_id: NS00010965
pubchem_cid: 14661393
smiles: FC(F)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)S(=O)(NCC)=O
inchi:
InChI=1S/C8H6F13NO2S/c1-2-22-25(23,24)8(20,21)6(15,16)4(11,12)3(9,10)5(13,14)7(17,18)19/h22H,2H2,1H3


name: N,N-Diethyl perfluorooctane sulfonamide
cas: 87988-61-2
chemspiderid: 140015
formula: C12H10F17N1O2S1
inchikey: YMACLHHWYOVAOI-UHFFFAOYSA-N
norman_susdat_id: NS00011114
pubchem_cid: 159193
smiles: CCN(CC)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
inchi:
InChI=1S/C12H10F17NO2S/c1-3-30(4-2)33(31,32)12(28,29)10(23,24)8(19,20)6(15,16)5(13,14)7(17,18)9(21,22)11(25,26)27/h3-4H2,1-2H3


name: N-Ethyl-N-[(heptadecafluorooctyl)sulfonyl]glycine methyl ester
cas: 87988-69-0
dtxsid: DTXSID20893299
formula: C13H10F17NO4S
inchikey: YINRKAIEOIJBGL-UHFFFAOYSA-N
norman_susdat_id: NS00109648
smiles: CCN(CC(=O)OC)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
inchi:
InChI=1S/C13H10F17NO4S/c1-3-31(4-5(32)35-2)36(33,34)13(29,30)11(24,25)9(20,21)7(16,17)6(14,15)8(18,19)10(22,23)12(26,27)28/h3-4H2,1-2H3


name: N-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluorooctane-1-sulfonyl)benzamide
cas: 87988-75-8
dtxsid: DTXSID50831220
formula: C15H6F17NO3S
inchikey: MHVUIICWGZEAKG-UHFFFAOYSA-N
norman_susdat_id: NS00110584
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)NC(=O)C1=CC=CC=C1
inchi:
InChI=1S/C15H6F17NO3S/c16-8(17,10(20,21)12(24,25)14(28,29)30)9(18,19)11(22,23)13(26,27)15(31,32)37(35,36)33-7(34)6-4-2-1-3-5-6/h1-5H,(H,33,34)


name: N,N,N',N',1-Pentamethyl-1-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silanediamine
cas: 879881-65-9
dtxsid: DTXSID60895555
formula: C13H19F13N2Si
inchikey: NTTVPRMNUJGUJM-UHFFFAOYSA-N
norman_susdat_id: NS00111055
smiles: CN(C)[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)N(C)C
inchi:
InChI=1S/C13H19F13N2Si/c1-27(2)29(5,28(3)4)7-6-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h6-7H2,1-5H3


name: 1,3-Bis(((3-(aminomethyl)phenyl)methyl)amino)propan-2-ol
cas: 87994-61-4
chemspiderid: 2287856
dtxsid: DTXSID90236735
formula: C19H28N4O1
inchikey: HVRVCYZDRAHSHG-UHFFFAOYSA-N
norman_susdat_id: NS00022860
pubchem_cid: 3021167
smiles: NCc1cc(CNCC(O)CNCc2cc(CN)ccc2)ccc1
inchi:
InChI=1S/C19H28N4O/c20-9-15-3-1-5-17(7-15)11-22-13-19(24)14-23-12-18-6-2-4-16(8-18)10-21/h1-8,19,22-24H,9-14,20-21H2


name: 9,9-bis[2-(2-methoxyethoxy)ethoxy]-N-methyl-2,5,8-trioxa-9-siladodecan-12-amine
cas: 87994-62-5
dtxsid: DTXSID50236736
formula: C19H43NO9Si
inchikey: DRGOPUOUFJYCRI-UHFFFAOYSA-N
norman_susdat_id: NS00065409
pubchem_cid: 20444366
smiles: O(C)CCOCCO[Si](OCCOCCOC)(OCCOCCOC)CCCNC
inchi:
InChI=1/C19H43NO9Si/c1-20-6-5-19-30(27-16-13-24-10-7-21-2,28-17-14-25-11-8-22-3)29-18-15-26-12-9-23-4/h20H,5-19H2,1-4H3


name: 9,9-bis[2-(2-methoxyethoxy)ethoxy]-2,5,8-trioxa-9-siladodecan-12-thiol
cas: 87994-63-6
dtxsid: DTXSID10236737
formula: C18H40O9SSi
inchikey: RRBCERZNBADYMC-UHFFFAOYSA-N
norman_susdat_id: NS00065410
pubchem_cid: 20261177
smiles: SCCC[Si](OCCOCCOC)(OCCOCCOC)OCCOCCOC
inchi:
InChI=1/C18H40O9SSi/c1-19-5-8-22-11-14-25-29(18-4-17-28,26-15-12-23-9-6-20-2)27-16-13-24-10-7-21-3/h28H,4-18H2,1-3H3


name: 9,9-bis[2-(2-methoxyethoxy)ethoxy]-2,5,8-trioxa-9-siladodecan-12-amine
cas: 87994-64-7
dtxsid: DTXSID70236738
formula: C18H41NO9Si
inchikey: PJURIXUDYDHOMA-UHFFFAOYSA-N
norman_susdat_id: NS00065014
pubchem_cid: 3616943
smiles: O(C)CCOCCO[Si](OCCOCCOC)(OCCOCCOC)CCCN
inchi:
InChI=1/C18H41NO9Si/c1-20-6-9-23-12-15-26-29(18-4-5-19,27-16-13-24-10-7-21-2)28-17-14-25-11-8-22-3/h4-19H2,1-3H3


name: 2,2'-Methylenebis(ethyl-6-tert-butylphenol)
cas: 88-24-4
chemspiderid: 6662
dtxsid: DTXSID7038864
formula: C25H36O2
inchikey: GPNYZBKIGXGYNU-UHFFFAOYSA-N
norman_susdat_id: NS00008123
pubchem_cid: 6928
smiles: CCc1cc(Cc2cc(CC)cc(c2O)C(C)(C)C)c(O)c(c1)C(C)(C)C
inchi:
InChI=1S/C25H36O2/c1-9-16-11-18(22(26)20(13-16)24(3,4)5)15-19-12-17(10-2)14-21(23(19)27)25(6,7)8/h11-14,26-27H,9-10,15H2,1-8H3


name: 3,3'-(Carbonyldiimino)bis(4-methoxy-6-nitrobenzenesulphonic) acid
cas: 88-31-3
chemspiderid: 59977
dtxsid: DTXSID00236746
formula: C15H14N4O13S2
inchikey: GQYQMNFJTDNODX-UHFFFAOYSA-N
norman_susdat_id: NS00039250
pubchem_cid: 66610
smiles: COc1c(NC(=O)Nc2cc(cc(c2OC)[N+](=O)[O-])S(=O)(=O)O)cc(c(c1)[N+](=O)[O-])S(=O)(=O)O
inchi:
InChI=1S/C15H14N4O13S2/c1-31-12-6-10(18(21)22)13(34(28,29)30)5-8(12)16-15(20)17-9-3-7(33(25,26)27)4-11(19(23)24)14(9)32-2/h3-6H,1-2H3,(H2,16,17,20)(H,25,26,27)(H,28,29,30)


name: 1,4-Bis(2-methylpropoxy)-1,4-dioxobutane-2-sulfonic acid
cas: 88-48-2
chemspiderid: 55025
dtxsid: DTXSID0048008
formula: C12H22O7S1
inchikey: NNARPPSIYMCXMB-UHFFFAOYSA-N
norman_susdat_id: NS00004636
pubchem_cid: 61070
smiles: CC(C)COC(=O)CC(C(=O)OCC(C)C)S(O)(=O)=O
inchi:
InChI=1S/C12H22O7S/c1-8(2)6-18-11(13)5-10(20(15,16)17)12(14)19-7-9(3)4/h8-10H,5-7H2,1-4H3,(H,15,16,17)


name: Benzenesulfonic acid, 4-chloro-3-(4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)-
cas: 88-76-6
chemspiderid: 59992
dtxsid: DTXSID1058977
formula: C10H9Cl1N2O4S1
inchikey: UWLNKHDLVZEYKQ-UHFFFAOYSA-N
norman_susdat_id: NS00039291
pubchem_cid: 66625
smiles: CC1=NN(C(=O)C1)c1c(Cl)ccc(c1)S(=O)(=O)O
inchi:
InChI=1S/C10H9ClN2O4S/c1-6-4-10(14)13(12-6)9-5-7(18(15,16)17)2-3-8(9)11/h2-3,5H,4H2,1H3,(H,15,16,17)


name: Acetamide, N-tricyclo[3.3.1.13,7]dec-1-yl-
cas: 880-52-4
chemspiderid: 57727
dtxsid: DTXSID9061255
formula: C12H19N1O1
inchikey: BCVXYGJCDZPKGV-UHFFFAOYSA-N
norman_susdat_id: NS00022861
pubchem_cid: 64153
smiles: CC(=O)NC12CC3CC(CC(C3)C1)C2
inchi:
InChI=1S/C12H19NO/c1-8(14)13-12-5-9-2-10(6-12)4-11(3-9)7-12/h9-11H,2-7H2,1H3,(H,13,14)/t9-,10+,11-,12-


cas: 88023-65-8
dtxsid: DTXSID00236761
formula: C10H10N4O7S2
inchikey: PPMCTCAERIMPSL-DPIOYBAHSA-M
norman_susdat_id: NS00065017
pubchem_cid: NA
smiles: [K+].O=CNC1=NC(=CS1)C(=O)C(=O)NC2C(=O)N(C2C)S(=O)(=O)[O-]
name:
Potassium (2S-trans)-3-[[[2-(formylamino)thiazol-4-yl]oxoacetyl]amino]-2-methyl-4-oxoazetidine-1-sulphonate

inchi:
InChI=1/C10H10N4O7S2.K/c1-4-6(9(18)14(4)23(19,20)21)13-8(17)7(16)5-2-22-10(12-5)11-3-15;/h2-4,6H,1H3,(H,13,17)(H,11,12,15)(H,19,20,21);/q;+1/p-1


name: Lantadene C
cas: 88034-27-9
chemspiderid: 137381
formula: C35H54O5
inchikey: KVXZSWTXYDUXID-IXQBYEQGSA-N
norman_susdat_id: NS00093788
pubchem_cid: 121056
smiles:
CC[C@H](C)C(=O)O[C@@H]1CC(C[C@H]2[C@]1(CC[C@@]3(C2=CC[C@H]4[C@]3(CCC5[C@@]4(CCC(=O)C5(C)C)C)C)C)C(=O)O)(C)C


name: 4-(4-Propylcyclohexyl)phenyl 4'-propyl[1,1'-bi(cyclohexane)]-4-carboxylate
cas: 88038-92-0
chemspiderid: 13617763
dtxsid: DTXSID00557701
formula: C31H48O2
inchikey: OJUPRLOTNSQRBL-UHFFFAOYSA-N
norman_susdat_id: NS00039237
pubchem_cid: 14227512
smiles: CCCC1CCC(CC1)C1CCC(CC1)C(=O)OC1=CC=C(C=C1)C1CCC(CCC)CC1
inchi:
InChI=1S/C31H48O2/c1-3-5-23-7-11-25(12-8-23)27-15-17-29(18-16-27)31(32)33-30-21-19-28(20-22-30)26-13-9-24(6-4-2)10-14-26/h19-27,29H,3-18H2,1-2H3/t23-,24-,25+,26-,27-,29+


name: Cefepime
cas: 88040-23-7
chebiid: CHEBI:478164
chemspiderid: 4586395
dtxsid: DTXSID70873208
formula: C19H25N6O5S2
inchikey: HVFLCNVBZFFHBT-ZKDACBOMSA-N
norman_susdat_id: NS00005931
pubchem_cid: 5479537
smiles: CON=C(/C(=O)N[C@H]1[C@H]2SCC(C[N+]3(C)CCCC3)=C(N2C1=O)C([O-])=O)c1csc(N)n1
inchi:
InChI=1S/C19H24N6O5S2/c1-25(5-3-4-6-25)7-10-8-31-17-13(16(27)24(17)14(10)18(28)29)22-15(26)12(23-30-2)11-9-32-19(20)21-11/h9,13,17H,3-8H2,1-2H3,(H3-,20,21,22,26,28,29)/b23-12-/t13-,17-/m1/s1


name: Pilsicainide
cas: 88069-49-2
chebiid: CHEBI:135127
dtxsid: DTXSID1046639
formula: C17H24N2O
inchikey: BCQTVJKBTWGHCX-UHFFFAOYSA-N
norman_susdat_id: NS00072619
pubchem_cid: 4820
smiles: Cc1cccc(C)c1NC(=O)CC12CCCN1CCC2
inchi:
InChI=1S/C17H24N2O/c1-13-6-3-7-14(2)16(13)18-15(20)12-17-8-4-10-19(17)11-5-9-17/h3,6-7H,4-5,8-12H2,1-2H3,(H,18,20)


name: Cyclohexyl hydrogen methylcyclohexane-1,2-dicarboxylate
cas: 88076-29-3
formula: C15H24O4
inchikey: WNIOYEFHAGOVQV-UHFFFAOYSA-N
norman_susdat_id: NS00065018
pubchem_cid: 57355102
smiles: O=C(O)C1CCCCC1(C(=O)OC2CCCCC2)C
inchi:
InChI=1/C15H24O4/c1-15(10-6-5-9-12(15)13(16)17)14(18)19-11-7-3-2-4-8-11/h11-12H,2-10H2,1H3,(H,16,17)


name: Chlorodiethoxytitanium
cas: 88092-84-6
formula: C4H10ClO2Ti
inchikey: GTTDFMNCRBLPCU-UHFFFAOYSA-M
norman_susdat_id: NS00092424
smiles: CCO[Ti](Cl)OCC
inchi:
InChI=1/2C2H5O.ClH.Ti/c2*1-2-3;;/h2*2H2,1H3;1H;/q2*-1;;+3/p-1/rC4H10ClO2Ti/c1-3-6-8(5)7-4-2/h3-4H2,1-2H3


name: 9H-fluoren-9-yllithium
cas: 881-04-9
chebiid: CHEBI:51471
formula: C13H9Li
inchikey: AMYVJTAMFWGYHI-UHFFFAOYSA-N
norman_susdat_id: NS00079989
smiles: [Li]C1c2ccccc2c3ccccc13
inchi:
InChI=1/C13H9.Li/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12;/h1-9H;/rC13H9Li/c14-13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)13/h1-8,13H


name: 2-[(2-Amino-6-oxo-3,6-dihydro-9H-purin-9-yl)methoxy]-3-hydroxypropyl acetate
cas: 88110-89-8
chemspiderid: 431026
dtxsid: DTXSID60333225
formula: C11H15N5O5
inchikey: YKLKCCHLLFMWQE-UHFFFAOYSA-N
norman_susdat_id: NS00006101
pubchem_cid: 492440
smiles: CC(=O)OCC(CO)OCn1cnc2c1[nH]c(N)nc2=O
inchi:
InChI=1S/C11H15N5O5/c1-6(18)20-3-7(2-17)21-5-16-4-13-8-9(16)14-11(12)15-10(8)19/h4,7,17H,2-3,5H2,1H3,(H3,12,14,15,19)


cas: 881188-51-8
chebiid: CHEBI:125492
formula: C26H42N6O12S2
inchikey: WFZPJYYCTSHDJI-ATIWLJMLSA-N
norman_susdat_id: NS00072887
pubchem_cid: 44628955
name:
2-{4-carboxy-2-[2-(2-{3-carboxy-2-[2-formamido-4-(methylsulfanyl)butanamido]propanamido}acetamido)-3-sulfanylpropanamido]butanamido}-4-methylpentanoic acid

inchi:
InChI=1S/C26H42N6O12S2/c1-13(2)8-17(26(43)44)32-24(41)15(4-5-20(35)36)30-25(42)18(11-45)29-19(34)10-27-22(39)16(9-21(37)38)31-23(40)14(28-12-33)6-7-46-3/h12-18,45H,4-11H2,1-3H3,(H,27,39)(H,28,33)(H,29,34)(H,30,42)(H,31,40)(H,32,41)(H,35,36)(H,37,38)(H,43,44)/t14-,15-,16-,17-,18-/m0/s1

smiles:
CSCC[C@H](NC=O)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)O


name: Serdemetan
cas: 881202-45-5
dtxsid: DTXSID30236830
formula: C21H20N4
inchikey: CEGSUKYESLWKJP-UHFFFAOYSA-N
norman_susdat_id: NS00071296
pubchem_cid: 11609586
smiles: c1ccc2c(CCNc3ccc(Nc4ccncc4)cc3)c[nH]c2c1
inchi:
InChI=1S/C21H20N4/c1-2-4-21-20(3-1)16(15-24-21)9-14-23-17-5-7-18(8-6-17)25-19-10-12-22-13-11-19/h1-8,10-13,15,23-24H,9,14H2,(H,22,25)


name: Ethylhexyl triazone
cas: 88122-99-0
chemspiderid: 140022
dtxsid: DTXSID90868994
formula: C48H66N6O6
inchikey: JGUMTYWKIBJSTN-UHFFFAOYSA-N
norman_susdat_id: NS00013679
pubchem_cid: 159201
smiles: CCCCC(CC)COC(=O)c1ccc(Nc2nc(Nc3ccc(cc3)C(=O)OCC(CC)CCCC)nc(Nc4ccc(cc4)C(=O)OCC(CC)CCCC)n2)cc1
inchi:
InChI=1S/C48H66N6O6/c1-7-13-16-34(10-4)31-58-43(55)37-19-25-40(26-20-37)49-46-52-47(50-41-27-21-38(22-28-41)44(56)59-32-35(11-5)17-14-8-2)54-48(53-46)51-42-29-23-39(24-30-42)45(57)60-33-36(12-6)18-15-9-3/h19-30,34-36H,7-18,31-33H2,1-6H3,(H3,49,50,51,52,53,54)


name: N-(6,11-dihydro-5-methyl-6,11-dioxo-5H-dibenz[b,e]azepin-10-yl)acetamide
cas: 88124-26-9
formula: C17H14N2O3
inchikey: KLSKLNWJEDXFSD-UHFFFAOYSA-N
norman_susdat_id: NS00066237
pubchem_cid: 65661
smiles: O=C1C=2C=CC=CC2N(C(=O)C=3C=CC=C(NC(=O)C)C13)C
inchi:
InChI=1/C17H14N2O3/c1-10(20)18-13-8-5-7-12-15(13)16(21)11-6-3-4-9-14(11)19(2)17(12)22/h3-9H,1-2H3,(H,18,20)


name: 10,10-bis[2-(2-ethoxyethoxy)ethoxy]-3,6,9-trioxa-10-silatridecan-13-amine
cas: 88127-80-4
dtxsid: DTXSID10236833
formula: C21H47NO9Si
inchikey: PSEYDFDQUJPHJH-UHFFFAOYSA-N
norman_susdat_id: NS00065414
pubchem_cid: 18755641
smiles: O(CC)CCOCCO[Si](OCCOCCOCC)(OCCOCCOCC)CCCN
inchi:
InChI=1/C21H47NO9Si/c1-4-23-9-12-26-15-18-29-32(21-7-8-22,30-19-16-27-13-10-24-5-2)31-20-17-28-14-11-25-6-3/h4-22H2,1-3H3


name: 13,13-bis[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]-3,6,9,12-tetraoxo-13-silahexadecan-16-amine
cas: 88127-82-6
dtxsid: DTXSID70236834
formula: C31H59NO12Si
inchikey: LYWVREINLLWWJN-UHFFFAOYSA-N
norman_susdat_id: NS00066259
pubchem_cid: 53422648
smiles: O=C(CC)CCC(=O)CCC(=O)CCC(=O)[Si](OCCOCCOCCOCC)(OCCOCCOCCOCC)CCCN
inchi:
InChI=1/C31H59NO12Si/c1-4-28(33)8-9-29(34)10-11-30(35)12-13-31(36)45(27-7-14-32,43-25-23-41-21-19-39-17-15-37-5-2)44-26-24-42-22-20-40-18-16-38-6-3/h4-27,32H2,1-3H3


cas: 88127-84-8
dtxsid: DTXSID501007953
formula: C21H44O11Si
inchikey: BAPRPWHVXHPSHD-UHFFFAOYSA-N
norman_susdat_id: NS00064945
pubchem_cid: 53427868
smiles: O(C)CCOCCO[Si](OCCOCCOC)(OCCOCCOC)CCCOCC1OC1
name:
9-[2-(2-methoxyethoxy)ethoxy]-9-[3-(oxiranylmethoxy)propyl]-2,5,8,10,13,16-hexaoxa-9-silaheptadecane

inchi:
InChI=1/C21H44O11Si/c1-22-6-9-25-12-15-30-33(31-16-13-26-10-7-23-2,32-17-14-27-11-8-24-3)18-4-5-28-19-21-20-29-21/h21H,4-20H2,1-3H3


name: Amlodipine
cas: 88150-42-9
chebiid: CHEBI:2668
chemspiderid: 2077
dtxsid: DTXSID7022596
formula: C20H25Cl1N2O5
inchikey: HTIQEAQVCYTUBX-UHFFFAOYSA-N
norman_susdat_id: NS00000043
pubchem_cid: 2162
smiles: CCOC(=O)C1=C(NC(=C(C1c2ccccc2Cl)C(=O)OC)C)COCCN
inchi:
InChI=1S/C20H25ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8,17,23H,4,9-11,22H2,1-3H3


cas: 88150-62-3
chemspiderid: 8047647
formula: C28H27Cl1N2O7
inchikey: AHHPZGUFLGCZCF-UHFFFAOYSA-N
norman_susdat_id: NS00006587
pubchem_cid: 9871958
smiles: CCOC(=O)C1=C(COCCN2C(=O)c3ccccc3C2=O)NC(C)=C(C1c1ccccc1Cl)C(=O)OC
name:
3-ethyl 5-methyl 4-(2-chlorophenyl)-1,4-dihydro-2-[2-(1,3-dihydro-1,3-dioxo-(2H)isoindol-2-yl)-ethoxymethyl]-6-methyl-3,5-pyridinedicarboxylate

inchi:
InChI=1S/C28H27ClN2O7/c1-4-38-28(35)24-21(15-37-14-13-31-25(32)17-9-5-6-10-18(17)26(31)33)30-16(2)22(27(34)36-3)23(24)19-11-7-8-12-20(19)29/h5-12,23,30H,4,13-15H2,1-3H3


name: 1H-Purin-6-amine, N-dodecyl-
cas: 88166-55-6
chemspiderid: 91654
dtxsid: DTXSID4072944
formula: C17H29N5
inchikey: SBEOUENSMWBHFN-UHFFFAOYSA-N
norman_susdat_id: NS00039246
pubchem_cid: 101429
smiles: CCCCCCCCCCCCNc1ncnc2c1[nH]cn2
inchi:
InChI=1S/C17H29N5/c1-2-3-4-5-6-7-8-9-10-11-12-18-16-15-17(20-13-19-15)22-14-21-16/h13-14H,2-12H2,1H3,(H2,18,19,20,21,22)


name: Isopyrazam
cas: 881685-58-1
chebiid: CHEBI:83128
chemspiderid: 23078568
dtxsid: DTXSID7058208
formula: C20H23F2N3O1
inchikey: XTDZGXBTXBEZDN-UHFFFAOYSA-N
norman_susdat_id: NS00040576
pubchem_cid: 25271089
smiles: CC(C)C1C2CCC1c1c2cccc1NC(=O)c1cn(C)nc1C(F)F
inchi:
InChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)


cas: 881692-01-9
dtxsid: DTXSID60894644
norman_susdat_id: NS00113469
name:
1,2-Ethanediamine, N1-[3-(trimethoxysilyl)propyl]-, hydrolysis products with wollastonite (Ca(SiO3))


name: Dimethyl[2-[(2-methyl-1-oxoallyl)oxy]ethyl][3-(trimethoxysilyl)propyl]ammonium bromide
cas: 88172-66-1
formula: C14H30NO5Si.Br
inchikey: FXOSMPOAKLIXLU-UHFFFAOYSA-M
norman_susdat_id: NS00092697
smiles: [Br-].CO[Si](CCC[N+](C)(C)CCOC(=O)C(=C)C)(OC)OC
inchi:
InChI=1/C14H30NO5Si.BrH/c1-13(2)14(16)20-11-10-15(3,4)9-8-12-21(17-5,18-6)19-7;/h1,8-12H2,2-7H3;1H/q+1;/p-1


name: Larazotide
cas: 881851-50-9
dtxsid: DTXSID30180526
formula: C32H55N9O10
inchikey: ORFLZNAGUTZRLQ-ZMBVWFSWSA-N
norman_susdat_id: NS00072884
pubchem_cid: 9810532
inchi:
InChI=1S/C32H55N9O10/c1-16(2)12-20(38-30(49)26(17(3)4)39-24(44)14-35-23(43)13-33)28(47)40-27(18(5)6)31(50)37-19(9-10-22(34)42)32(51)41-11-7-8-21(41)29(48)36-15-25(45)46/h16-21,26-27H,7-15,33H2,1-6H3,(H2,34,42)(H,35,43)(H,36,48)(H,37,50)(H,38,49)(H,39,44)(H,40,47)(H,45,46)/t19-,20-,21-,26-,27-/m0/s1

smiles:
CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)CN)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)C(C)C


name: Iodine, bis(acetato-βO)[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]- (9CI)
cas: 882186-02-9
dtxsid: DTXSID30897046
formula: C20H14F17IO4
inchikey: YHQLCCOIFRKRJC-UHFFFAOYSA-N
norman_susdat_id: NS00110149
smiles: CC(=O)O[I](OC(C)=O)C1=CC=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1
inchi:
InChI=1S/C20H14F17IO4/c1-9(39)41-38(42-10(2)40)12-5-3-11(4-6-12)7-8-13(21,22)14(23,24)15(25,26)16(27,28)17(29,30)18(31,32)19(33,34)20(35,36)37/h3-6H,7-8H2,1-2H3


cas: 88248-34-4
dtxsid: DTXSID20881015
norman_susdat_id: NS00109571
name:
2-Propenoic acid, 2-methyl-, methyl ester, polymer with 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-2-propenoate


name: N-cyclopropyl-4-methyl-3-{2-[(2-morpholin-4-ylethyl)amino]quinazolin-6-yl}benzamide
cas: 882664-10-0
formula: C25H29N5O2
inchikey: MNEXDVSJIUQQRH-UHFFFAOYSA-N
norman_susdat_id: NS00071618
pubchem_cid: 24963046
smiles: Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1
inchi:
InChI=1S/C25H29N5O2/c1-17-2-3-19(24(31)28-21-5-6-21)15-22(17)18-4-7-23-20(14-18)16-27-25(29-23)26-8-9-30-10-12-32-13-11-30/h2-4,7,14-16,21H,5-6,8-13H2,1H3,(H,28,31)(H,26,27,29)


name: MB 07803
cas: 882757-24-6
dtxsid: DTXSID90236932
formula: C24H37N4O7PS
inchikey: CTKZZUXRWBCFEI-UHFFFAOYSA-N
norman_susdat_id: NS00072500
pubchem_cid: 24770445
smiles: CCOC(=O)C(C)(C)NP(=O)(NC(C)(C)C(=O)OCC)c1ccc(-c2nc(N)sc2C(=O)C(C)(C)C)o1
inchi:
InChI=1S/C24H37N4O7PS/c1-10-33-19(30)23(6,7)27-36(32,28-24(8,9)20(31)34-11-2)15-13-12-14(35-15)16-17(37-21(25)26-16)18(29)22(3,4)5/h12-13H,10-11H2,1-9H3,(H2,25,26)(H2,27,28,32)


name: Octyl 1,2,3,6-tetrahydro-2,6-dioxopyrimidine-4-carboxylate
cas: 88280-81-3
dtxsid: DTXSID10236934
formula: C13H20N2O4
inchikey: JVCVWBZTXWYZSC-UHFFFAOYSA-N
norman_susdat_id: NS00066260
pubchem_cid: 3086279
smiles: O=C1C=C(NC(=O)N1)C(=O)OCCCCCCCC
inchi:
InChI=1/C13H20N2O4/c1-2-3-4-5-6-7-8-19-12(17)10-9-11(16)15-13(18)14-10/h9H,2-8H2,1H3,(H2,14,15,16,18)


name: Nanafrocin
cas: 88293-09-8
chebiid: CHEBI:48202
chemspiderid: 391098
formula: C16H14O6
inchikey: ZCJHPTKRISJQTN-JGVFFNPUSA-N
norman_susdat_id: NS00011756
pubchem_cid: 442757
smiles: C[C@H]1C2=C(C[C@@H](O1)CC(=O)O)C(=O)c3cccc(c3C2=O)O
inchi:
InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m0/s1


name: 2-Acetamido-3-(3,5-difluorophenyl)acrylic acid
cas: 883035-24-3
formula: C11H9F2NO3
inchikey: DHOMOKKAUSLKGQ-ONNFQVAWSA-N
norman_susdat_id: NS00097815
smiles: CC(=O)N/C(=C/C1=CC(=CC(=C1)F)F)/C(=O)O
inchi:
InChI=1S/C11H9F2NO3/c1-6(15)14-10(11(16)17)4-7-2-8(12)5-9(13)3-7/h2-5H,1H3,(H,14,15)(H,16,17)/b10-4+


name: 1,5-Pentanedione, 3-(1-naphthalenyl)-1,5-diphenyl-
cas: 883069-17-8
chemspiderid: 2012936
dtxsid: DTXSID60369665
formula: C27H22O2
inchikey: PEWLTDUUFIBEBG-UHFFFAOYSA-N
norman_susdat_id: NS00016867
pubchem_cid: 2731027
smiles: C1=CC=C(C=C1)C(=O)CC(CC(=O)C2=CC=CC=C2)C3=CC=CC4=CC=CC=C43
inchi:
InChI=1S/C27H22O2/c28-26(21-11-3-1-4-12-21)18-23(19-27(29)22-13-5-2-6-14-22)25-17-9-15-20-10-7-8-16-24(20)25/h1-17,23H,18-19H2


name: Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-[4-[(1-oxopropyl)amino]anilino]anthracene-2-sulphonate
cas: 88329-78-6
dtxsid: DTXSID80236966
formula: C23H19N3O6S
inchikey: SJHDCKHEJHVACV-UHFFFAOYSA-M
norman_susdat_id: NS00064948
pubchem_cid: 3021225
smiles: [Na+].O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)[O-])NC4=CC=C(C=C4)NC(=O)CC
inchi:
InChI=1/C23H19N3O6S.Na/c1-2-18(27)26-13-9-7-12(8-10-13)25-16-11-17(33(30,31)32)21(24)20-19(16)22(28)14-5-3-4-6-15(14)23(20)29;/h3-11,25H,2,24H2,1H3,(H,26,27)(H,30,31,32);/q;+1/p-1


name: N-(tert-Butoxycarbonyl)glycyl-4-nitro-3-phenyl-L-alanyl-L-prolinamide
cas: 88331-08-2
chemspiderid: 21165312
dtxsid: DTXSID40236967
formula: C21H29N5O7
inchikey: LVXUNSXRMFZIGI-HOTGVXAUSA-N
norman_susdat_id: NS00039252
pubchem_cid: 56842472
smiles: CC(C)(C)OC(=O)NC(Cc1ccc(cc1)[N+](=O)[O-])C(=O)N1CCCC1C(=O)NC(=O)CN
inchi:
InChI=1S/C21H29N5O7/c1-21(2,3)33-20(30)23-15(11-13-6-8-14(9-7-13)26(31)32)19(29)25-10-4-5-16(25)18(28)24-17(27)12-22/h6-9,15-16H,4-5,10-12,22H2,1-3H3,(H,23,30)(H,24,27,28)/t15-,16+/m0/s1


name: 15-Acetyldeoxynivalenol
cas: 88337-96-6
chemspiderid: 467346
dtxsid: DTXSID20891851
formula: C17H22O7
inchikey: IDGRYIRJIFKTAN-KLOHDQKESA-N
norman_susdat_id: NS00018329
pubchem_cid: 3034750
smiles: CC1=CC2C(C(C1=O)O)(C3(CC(C(C34CO4)O2)O)C)COC(=O)C
inchi:
InChI=1S/C17H22O7/c1-8-4-11-16(6-22-9(2)18,13(21)12(8)20)15(3)5-10(19)14(24-11)17(15)7-23-17/h4,10-11,13-14,19,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17?/m1/s1


name: 1H,1H-Perfluorobutyl perfluorobutanesulfonate
cas: 883499-32-9
dtxsid: DTXSID70382047
formula: C8H2F16O3S
inchikey: TXGIYYDHRSACPQ-UHFFFAOYSA-N
norman_susdat_id: NS00111230
smiles: FC(F)(F)C(F)(F)C(F)(F)COS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C8H2F16O3S/c9-2(10,3(11,12)6(17,18)19)1-27-28(25,26)8(23,24)5(15,16)4(13,14)7(20,21)22/h1H2


name: 1h,1h-nonafluoropentyl p-toluenesulfonate
cas: 883499-79-4
dtxsid: DTXSID50382065
formula: C12H9F9O3S
inchikey: JOEIRBYDVFVESF-UHFFFAOYSA-N
norman_susdat_id: NS00110540
smiles: CC1=CC=C(C=C1)S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H9F9O3S/c1-7-2-4-8(5-3-7)25(22,23)24-6-9(13,14)10(15,16)11(17,18)12(19,20)21/h2-5H,6H2,1H3


name: 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoroheptyl 4-methylbenzene-1-sulfonate
cas: 883500-11-6
dtxsid: DTXSID60896103
formula: C14H9F13O3S
inchikey: OHRRWZZYRZXFNZ-UHFFFAOYSA-N
norman_susdat_id: NS00111095
smiles: Cc1ccc(cc1)S(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14H9F13O3S/c1-7-2-4-8(5-3-7)31(28,29)30-6-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h2-5H,6H2,1H3


name: Methyl N-[3-(acetylamino)-4-[(2-cyano-4,6-dinitrophenyl)azo]phenyl]-N-ethyl-ß-alaninate
cas: 88351-59-1
formula: C21H23N7O7
inchikey: BCEWNCRIZVBZGZ-UHFFFAOYSA-N
norman_susdat_id: NS00066096
pubchem_cid: 44146443
smiles: N#CC=1C=C(C=C(C1N=NC2=CC=C(C=C2NC(=O)C)N(CC)CCC(=O)OC)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1/C21H21N7O7/c1-4-26(8-7-20(30)35-3)15-5-6-17(18(10-15)23-13(2)29)24-25-21-14(12-22)9-16(27(31)32)11-19(21)28(33)34/h5-6,9-11H,4,7-8H2,1-3H3,(H,23,29)


name: Methyl N-[3-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]phenyl]-N-ethyl-ß-alaninate
cas: 88351-61-5
formula: C20H23BrN6O7
inchikey: NXCIMWZLXQMMIF-UHFFFAOYSA-N
norman_susdat_id: NS00066097
pubchem_cid: 44151157
smiles: O=C(OC)CCN(C1=CC=C(N=NC2=C(Br)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(=C1)NC(=O)C)CC
inchi:
InChI=1/C20H21BrN6O7/c1-4-25(8-7-19(29)34-3)13-5-6-16(17(10-13)22-12(2)28)23-24-20-15(21)9-14(26(30)31)11-18(20)27(32)33/h5-6,9-11H,4,7-8H2,1-3H3,(H,22,28)


name: Methyl N-(3-(acetylamino)phenyl)-N-ethyl-beta-alaninate
cas: 88351-63-7
chemspiderid: 15537416
dtxsid: DTXSID30236991
formula: C14H20N2O3
inchikey: AOEBDRLRNJNHSY-UHFFFAOYSA-N
norman_susdat_id: NS00039256
pubchem_cid: 21515260
smiles: CCN(CCC(=O)OC)c1cccc(NC(=O)C)c1
inchi:
InChI=1S/C14H20N2O3/c1-4-16(9-8-14(18)19-3)13-7-5-6-12(10-13)15-11(2)17/h5-7,10H,4,8-9H2,1-3H3,(H,15,17)


name: 3-Amino-N-(1-(2-chloro-4,6-dimethylphenyl)-4,5-dihydro-5-oxo-1H-pyrazol-3-yl)benzamide
cas: 88372-24-1
chemspiderid: 2287930
dtxsid: DTXSID70237003
formula: C18H17Cl1N4O2
inchikey: OABRACVPJGRIOI-UHFFFAOYSA-N
norman_susdat_id: NS00039259
pubchem_cid: 3021258
smiles: Cc1cc(Cl)c(N2N=C(CC2=O)NC(=O)c2cc(N)ccc2)c(C)c1
inchi:
InChI=1S/C18H17ClN4O2/c1-10-6-11(2)17(14(19)7-10)23-16(24)9-15(22-23)21-18(25)12-4-3-5-13(20)8-12/h3-8H,9,20H2,1-2H3,(H,21,22,25)


cas: 88381-29-7
chebiid: CHEBI:73356
dtxsid: DTXSID201008102
formula: C30H39N5O7S2
inchikey: MCMMCRYPQBNCPH-WMIMKTLMSA-N
norman_susdat_id: NS00071889
pubchem_cid: 104787
smiles: CC1(C)SSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H]1C(=O)O
name:
13-{[2-Amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-7-benzyl-6,9,12-trihydroxy-3,3,14,14-tetramethyl-1,2-dithia-5,8,11-triazacyclotetradeca-5,8,11-triene-4-carboxylic acid

inchi:
InChI=1S/C30H39N5O7S2/c1-29(2)23(34-25(38)20(31)14-18-10-12-19(36)13-11-18)27(40)32-16-22(37)33-21(15-17-8-6-5-7-9-17)26(39)35-24(28(41)42)30(3,4)44-43-29/h5-13,20-21,23-24,36H,14-16,31H2,1-4H3,(H,32,40)(H,33,37)(H,34,38)(H,35,39)(H,41,42)/t20-,21-,23-,24-/m0/s1


cas: 883895-38-3
inchikey: JJIHSTZHRFTWHU-OMGXZXRNSA-K
norman_susdat_id: NS00078612
name:
trisodium 3-[(E)-2-(4-{[4-chloro-6-({2-[(4-{[4-(ethenesulfonyl)phenyl]amino}-6-fluoro-1,3,5-triazin-2-yl)amino]propyl}amino)-1,3,5-triazin-2-yl]amino}-5-sulfonatonaphthalen-1-yl)diazen-1-yl]naphthalene-1,5-disulfonate

smiles:
ClC1=NC(=NC(=N1)NCC(C)NC1=NC(=NC(=N1)NC1=CC=C(C=C1)S(=O)(=O)C=C)F)NC1=CC=C(C2=CC=CC(=C12)S(=O)(=O)[O-])/N=N/C=1C=C(C=2C=CC=C(C2C1)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]


name: 2,5-dichloro-n-(5-chloro-1,3-benzoxazol-2-yl)benzene-1-sulfonamide
cas: 883973-99-7
formula: C13H7Cl3N2O3S
inchikey: JCXZHFCBNFFHRC-UHFFFAOYSA-N
norman_susdat_id: NS00072182
pubchem_cid: 6102820
smiles: O=S(=O)(Nc1nc2cc(Cl)ccc2o1)c1cc(Cl)ccc1Cl
inchi:
InChI=1S/C13H7Cl3N2O3S/c14-7-2-4-11-10(5-7)17-13(21-11)18-22(19,20)12-6-8(15)1-3-9(12)16/h1-6H,(H,17,18)


name: Buparvaquone
cas: 88426-33-9
chemspiderid: 10807457
dtxsid: DTXSID4057849
formula: C21H26O3
inchikey: KLLIVCPQDTYMLC-UHFFFAOYSA-N
norman_susdat_id: NS00039266
pubchem_cid: NA
smiles: CC(C)(C)C1CCC(CC2=C(O)C(=O)c3c(cccc3)C2=O)CC1
inchi:
InChI=1S/C21H26O3/c1-21(2,3)14-10-8-13(9-11-14)12-17-18(22)15-6-4-5-7-16(15)19(23)20(17)24/h4-7,13-14,24H,8-12H2,1-3H3/t13-,14-


name: Beraprost
cas: 88430-50-6
dtxsid: DTXSID00240666
formula: C24H30O5
inchikey: CTPOHARTNNSRSR-NOQAJONNSA-N
norman_susdat_id: NS00070961
pubchem_cid: 10501053
smiles: CC#CC[C@H](C)[C@H](O)/C=C/[C@@H]1[C@H]2c3cccc(CCCC(=O)O)c3O[C@H]2C[C@H]1O
inchi:
InChI=1S/C24H30O5/c1-3-4-7-15(2)19(25)13-12-17-20(26)14-21-23(17)18-10-5-8-16(24(18)29-21)9-6-11-22(27)28/h5,8,10,12-13,15,17,19-21,23,25-26H,6-7,9,11,14H2,1-2H3,(H,27,28)/b13-12+/t15-,17-,19+,20+,21-,23-/m0/s1


name: 2,6-Dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylic acid
cas: 88434-68-8
chemspiderid: 2287938
dtxsid: DTXSID90237045
formula: C15H12N2O6
inchikey: QLKWNZOBTJKSCW-UHFFFAOYSA-N
norman_susdat_id: NS00039267
pubchem_cid: 3021269
smiles: Cc1nc(C)c(C(=O)O)c(c2cc(ccc2)[N+](=O)[O-])c1C(=O)O
inchi:
InChI=1S/C15H12N2O6/c1-7-11(14(18)19)13(12(15(20)21)8(2)16-7)9-4-3-5-10(6-9)17(22)23/h3-6H,1-2H3,(H,18,19)(H,20,21)


name: N-(Perfluoro-1-oxobutyl)aspartic acid 1-butyl ester
cas: 88434-83-7
dtxsid: DTXSID00897098
formula: C12H16F7NO5
inchikey: SNKIMEDNKDQKAP-UUEFVBAFSA-N
norman_susdat_id: NS00109095
smiles: CCCCOC(O)[C@H](CC(O)=O)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C12H16F7NO5/c1-2-3-4-25-8(23)6(5-7(21)22)20-9(24)10(13,14)11(15,16)12(17,18)19/h6,8,23H,2-5H2,1H3,(H,20,24)(H,21,22)/t6-,8?/s2


name: N-(Perfluoro-1-oxobutyl)aspartic acid 1-ethyl ester
cas: 88435-83-0
dtxsid: DTXSID40897052
formula: C10H10F7NO5
inchikey: GAHLLWWTAWUXEK-UHFFFAOYSA-N
norman_susdat_id: NS00110490
smiles: CCOC(=O)C(CC(O)=O)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C10H10F7NO5/c1-2-23-6(21)4(3-5(19)20)18-7(22)8(11,12)9(13,14)10(15,16)17/h4H,2-3H2,1H3,(H,18,22)(H,19,20)


name: N-(Perfluorobutanoyl)glutamic acid 1-ethyl ester
cas: 88435-87-4
dtxsid: DTXSID00897154
formula: C11H12F7NO5
inchikey: FYWCNWDCUWMVFO-RXMQYKEDSA-N
norman_susdat_id: NS00109096
smiles: CCOC(=O)[C@@H](CCC(O)=O)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H12F7NO5/c1-2-24-7(22)5(3-4-6(20)21)19-8(23)9(12,13)10(14,15)11(16,17)18/h5H,2-4H2,1H3,(H,19,23)(H,20,21)/t5-/m1/s1


name: N-(Perfluoro-1-oxobutyl)aspartic acid 1-propyl ester
cas: 88436-09-3
dtxsid: DTXSID80897096
formula: C11H12F7NO5
inchikey: CNKDXTSGYRCWFY-YFKPBYRVSA-N
norman_susdat_id: NS00111859
smiles: CCCOC(=O)[C@H](CC(O)=O)NC(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H12F7NO5/c1-2-3-24-7(22)5(4-6(20)21)19-8(23)9(12,13)10(14,15)11(16,17)18/h5H,2-4H2,1H3,(H,19,23)(H,20,21)/t5-/m0/s1


name: 17β-Hydroxy-androstano[3,2-c]isoxazole
cas: 884483-38-9
chemspiderid: 35519205
formula: C20H29N1O2
inchikey: YYWMPTGXJBPRND-YNZDMMAESA-N
norman_susdat_id: NS00018387
pubchem_cid: 102285892
smiles: CC12CCC3C(C1CCC2O)CCC4C3(CC5=CON=C5C4)C
inchi:
InChI=1S/C20H29NO2/c1-19-8-7-16-14(15(19)5-6-18(19)22)4-3-13-9-17-12(11-23-21-17)10-20(13,16)2/h11,13-16,18,22H,3-10H2,1-2H3/t13-,14-,15-,16-,18-,19-,20-/m0/s1


name: 2-Phenoxyethyl N-methyl-N-(3-methyl-4-((5-nitro-2-thiazolyl)azo)phenyl)-beta-alaninate
cas: 88470-43-3
chemspiderid: 21165316
dtxsid: DTXSID50237061
formula: C22H23N5O5S1
inchikey: MGBYXZXPDPRITM-OCOZRVBESA-N
norman_susdat_id: NS00039269
pubchem_cid: NA
smiles: CN(CCC(=O)OCCOc1ccccc1)c1cc(C)c(cc1)N=Nc1ncc(s1)[N+](=O)[O-]
inchi:
InChI=1S/C22H23N5O5S/c1-16-14-17(8-9-19(16)24-25-22-23-15-20(33-22)27(29)30)26(2)11-10-21(28)32-13-12-31-18-6-4-3-5-7-18/h3-9,14-15H,10-13H2,1-2H3/b25-24+


name: Murraxocin
cas: 88478-44-8
chemspiderid: 164032
formula: C17H20O5
inchikey: GDLSTIJVZWVVPB-UHFFFAOYNA-N
norman_susdat_id: NS00067900
pubchem_cid: 188750
inchi:
InChI=1S/C17H20O5/c1-5-21-17(15(19)10(2)3)14-12(20-4)8-6-11-7-9-13(18)22-16(11)14/h6-9,15,17,19H,2,5H2,1,3-4H3


name: Dihydrocodeine,Â 6-glucuronide
cas: 88480-40-4
chemspiderid: 8633148
formula: C24H31N1O9
inchikey: WBVBRJPPWYRNPU-HSCJLHHPSA-N
norman_susdat_id: NS00002319
pubchem_cid: 101625339
inchi:
InChI=1S/C24H31NO9/c1-25-8-7-24-11-4-6-14(32-23-18(28)16(26)17(27)20(34-23)22(29)30)21(24)33-19-13(31-2)5-3-10(15(19)24)9-12(11)25/h3,5,11-12,14,16-18,20-21,23,26-28H,4,6-9H2,1-2H3,(H,29,30)/t11-,12+,14-,16-,17-,18+,20-,21-,23+,24-/m0/s1

smiles:
COc1ccc2C[C@@H]3[C@@H]4CC[C@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)[C@@H]5Oc1c2[C@]45CCN3C


name: Fluxofenim
cas: 88485-37-4
chemspiderid: 4723342
dtxsid: DTXSID5044998
formula: C12H11Cl1F3N1O3
inchikey: UKSLKNUCVPZQCQ-GZTJUZNOSA-N
norman_susdat_id: NS00003982
pubchem_cid: 5853214
smiles: FC(F)(F)C(=NOCC1OCCO1)c1ccc(Cl)cc1
inchi:
InChI=1S/C12H11ClF3NO3/c13-9-3-1-8(2-4-9)11(12(14,15)16)17-20-7-10-18-5-6-19-10/h1-4,10H,5-7H2/b17-11+


name: Pyrrolo[3,4-c]pyrrole-1,4-dione, 3,6-bis[3-(dodecylsulfonyl)phenyl]-2,5-dihydro- .
cas: 884862-07-1
dtxsid: DTXSID20237073
formula: C42H60N2O6S2
inchikey: MWSOKXYCUANAAM-UHFFFAOYSA-N
norman_susdat_id: NS00113666
smiles: CCCCCCCCCCCCS(=O)(=O)C1=CC=CC(=C1)C1=C2C(=O)NC(=C2C(=O)N1)C1=CC(=CC=C1)S(=O)(=O)CCCCCCCCCCCC
inchi:
InChI=1S/C42H60N2O6S2/c1-3-5-7-9-11-13-15-17-19-21-29-51(47,48)35-27-23-25-33(31-35)39-37-38(42(46)43-39)40(44-41(37)45)34-26-24-28-36(32-34)52(49,50)30-22-20-18-16-14-12-10-8-6-4-2/h23-28,31-32H,3-22,29-30H2,1-2H3,(H,43,46)(H,44,45)


name: Artesunate
cas: 88495-63-0
chebiid: CHEBI:94751
chemspiderid: 59099
dtxsid: DTXSID3042681
formula: C19H28O8
inchikey: FIHJKUPKCHIPAT-NKHDUEHSSA-N
norman_susdat_id: NS00039272
pubchem_cid: 65664
smiles: C[C@H]1CC[C@H]2[C@H](C)[C@H](OC(=O)CCC(=O)O)O[C@H]3O[C@@]4(C)CC[C@@H]1[C@@]23OO4
inchi:
InChI=1S/C19H28O8/c1-10-4-5-13-11(2)16(23-15(22)7-6-14(20)21)24-17-19(13)12(10)8-9-18(3,25-17)26-27-19/h10-13,16-17H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12-,13-,16+,17-,18+,19+/m0/s1


name: Filanesib
cas: 885060-09-3
dtxsid: DTXSID50237086
formula: C20H22F2N4O2S
inchikey: LLXISKGBWFTGEI-FQEVSTJZSA-N
norman_susdat_id: NS00072562
pubchem_cid: 44224257
smiles: CON(C)C(=O)N1N=C(c2cc(F)ccc2F)S[C@@]1(CCCN)c1ccccc1
inchi:
InChI=1S/C20H22F2N4O2S/c1-25(28-2)19(27)26-20(11-6-12-23,14-7-4-3-5-8-14)29-18(24-26)16-13-15(21)9-10-17(16)22/h3-5,7-10,13H,6,11-12,23H2,1-2H3/t20-/m0/s1


name: GW-9508
cas: 885101-89-3
chebiid: CHEBI:93259
chemspiderid: 6862
dtxsid: DTXSID70237088
formula: C22H21N1O3
inchikey: DGENZVKCTGIDRZ-UHFFFAOYSA-N
norman_susdat_id: NS00018705
pubchem_cid: 11595431
smiles: C1=CC=C(C=C1)OC2=CC=CC(=C2)CNC3=CC=C(C=C3)CCC(=O)O
inchi:
InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)


name: 3,3'-((1-Methylethylidene)bis(4,1-phenyleneoxy))dipropionodihydrazide
cas: 88515-85-9
chemspiderid: NA
dtxsid: DTXSID10237103
formula: C21H28N4O4
inchikey: YKSZMVCZMGLZSJ-UHFFFAOYSA-N
norman_susdat_id: NS00039274
pubchem_cid: 23136118
smiles: CC(C)(c1ccc(OCCC(=O)NN)cc1)c1ccc(OCCC(=O)NN)cc1
inchi:
InChI=1S/C21H28N4O4/c1-21(2,15-3-7-17(8-4-15)28-13-11-19(26)24-22)16-5-9-18(10-6-16)29-14-12-20(27)25-23/h3-10H,11-14,22-23H2,1-2H3,(H,24,26)(H,25,27)


name: 3,3'-(Methylenebis(4,1-phenyleneoxy))dipropionodihydrazide
cas: 88515-86-0
chemspiderid: NA
dtxsid: DTXSID70237104
formula: C19H24N4O4
inchikey: ZCELVXIGCAYWQD-UHFFFAOYSA-N
norman_susdat_id: NS00039275
pubchem_cid: 23136088
smiles: NNC(=O)CCOc1ccc(Cc2ccc(OCCC(=O)NN)cc2)cc1
inchi:
InChI=1S/C19H24N4O4/c20-22-18(24)9-11-26-16-5-1-14(2-6-16)13-15-3-7-17(8-4-15)27-12-10-19(25)23-21/h1-8H,9-13,20-21H2,(H,22,24)(H,23,25)


cas: 885220-61-1
formula: C22H26N6O2
inchikey: VKHVAUKFLBBZFJ-SFHVURJKSA-N
norman_susdat_id: NS00072102
pubchem_cid: 11596613
smiles: CC[C@H](Nc1cc(C)nc2c(-c3ccc(OC)cc3C)c(C)nn12)c1nc(C)no1
name:
3-(4-methoxy-2-methylphenyl)-2,5-dimethyl-n-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

inchi:
InChI=1S/C22H26N6O2/c1-7-18(22-24-15(5)27-30-22)25-19-11-13(3)23-21-20(14(4)26-28(19)21)17-9-8-16(29-6)10-12(17)2/h8-11,18,25H,7H2,1-6H3/t18-/m0/s1


name: 1H,1H,2H,2H-Perfluorotetradecyltriethoxysilane
cas: 885275-56-9
dtxsid: DTXSID20382355
formula: C20H19F25O3Si
inchikey: CBZXLVMVIMSMCZ-UHFFFAOYSA-N
norman_susdat_id: NS00109517
inchi:
InChI=1S/C20H19F25O3Si/c1-4-46-49(47-5-2,48-6-3)8-7-9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)45/h4-8H2,1-3H3

smiles:
CCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCC)OCC


name: Omeprazole sulfone
cas: 88546-55-8
chebiid: CHEBI:166518
chemspiderid: 128709
dtxsid: DTXSID40237116
formula: C17H19N3O4S1
inchikey: IXEQEYRTSRFZEO-UHFFFAOYSA-N
norman_susdat_id: NS00003072
pubchem_cid: 145900
smiles: COc1ccc2nc([nH]c2c1)S(=O)(=O)Cc1ncc(C)c(OC)c1C
inchi:
InChI=1S/C17H19N3O4S/c1-10-8-18-15(11(2)16(10)24-4)9-25(21,22)17-19-13-6-5-12(23-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)


name: 4-piperidinemethanamine
cas: 885499-58-1
formula: C18H20ClN5
inchikey: QOZMRRGNAZNWDN-UHFFFAOYSA-N
norman_susdat_id: NS00099341
pubchem_cid: 24762195
smiles: NCC1(c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
inchi:
InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)18(11-20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)


name: 4-piperidinamine
cas: 885499-61-6
dtxsid: DTXSID80590818
formula: C18H20ClN5
inchikey: RZIDZIGAXXNODG-UHFFFAOYSA-N
norman_susdat_id: NS00071505
pubchem_cid: 17751819
smiles: NC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
inchi:
InChI=1S/C18H20ClN5/c19-14-3-1-13(2-4-14)11-18(20)6-9-24(10-7-18)17-15-5-8-21-16(15)22-12-23-17/h1-5,8,12H,6-7,9-11,20H2,(H,21,22,23)


name: {4-[(4-chlorophenyl)methyl]-1-{7h-pyrrolo[2,3-d]pyrimidin-4-yl}piperidin-4-yl}methanamine
cas: 885499-63-8
formula: C19H22ClN5
inchikey: KCWPSUKJCKZEAO-UHFFFAOYSA-N
norman_susdat_id: NS00071504
pubchem_cid: 11696113
smiles: NCC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1
inchi:
InChI=1S/C19H22ClN5/c20-15-3-1-14(2-4-15)11-19(12-21)6-9-25(10-7-19)18-16-5-8-22-17(16)23-13-24-18/h1-5,8,13H,6-7,9-12,21H2,(H,22,23,24)


name: Ethyl 7-chloro-6-fluoro-1-(formylamino)-1,4-dihydro-4-oxoquinoline-3-carboxylate
cas: 88569-33-9
dtxsid: DTXSID801008229
formula: C13H10ClFN2O4
inchikey: JSRUDJNKLVNSGZ-UHFFFAOYSA-N
norman_susdat_id: NS00065326
pubchem_cid: 3021289
smiles: O=CNN1C=C(C(=O)OCC)C(=O)C2=CC(F)=C(Cl)C=C21
inchi:
InChI=1/C13H10ClFN2O4/c1-2-21-13(20)8-5-17(16-6-18)11-4-9(14)10(15)3-7(11)12(8)19/h3-6H,2H2,1H3,(H,16,18)


name: Ethyl 7-chloro-6-fluoro-1-(formylmethylamino)-1,4-dihydro-4-oxoquinoline-3-carboxylate
cas: 88569-34-0
dtxsid: DTXSID101008230
formula: C14H12ClFN2O4
inchikey: TYZJYJKPICJYCW-UHFFFAOYSA-N
norman_susdat_id: NS00064865
pubchem_cid: 13387885
smiles: O=CN(N1C=C(C(=O)OCC)C(=O)C2=CC(F)=C(Cl)C=C21)C
inchi:
InChI=1/C14H12ClFN2O4/c1-3-22-14(21)9-6-18(17(2)7-19)12-5-10(15)11(16)4-8(12)13(9)20/h4-7H,3H2,1-2H3


name: 1-cyclohexyl-3-phenylurea
cas: 886-59-9
dtxsid: DTXSID90877268
formula: C13H18N2O
inchikey: WPLYTRWMCWBZEN-UHFFFAOYSA-N
norman_susdat_id: NS00067025
smiles: C1CCC(CC1)NC(=O)NC2=CC=CC=C2
inchi:
InChI=1S/C13H18N2O/c16-13(14-11-7-3-1-4-8-11)15-12-9-5-2-6-10-12/h1,3-4,7-8,12H,2,5-6,9-10H2,(H2,14,15,16)


name: Chlorphenesin carbamate
cas: 886-74-8
chemspiderid: 2623
dtxsid: DTXSID5022803
formula: C10H12Cl1N1O4
inchikey: SKPLBLUECSEIFO-UHFFFAOYNA-N
norman_susdat_id: NS00039287
pubchem_cid: NA
smiles: NC(=O)OCC(O)COc1ccc(Cl)cc1
inchi:
InChI=1S/C10H12ClNO4/c11-7-1-3-9(4-2-7)15-5-8(13)6-16-10(12)14/h1-4,8,13H,5-6H2,(H2,12,14)/t8-/m1/s1


name: 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl pentadecafluorooctanoate
cas: 886046-97-5
dtxsid: DTXSID10895984
formula: C18H4F32O2
inchikey: QYPSGGGCZLRESW-UHFFFAOYSA-N
norman_susdat_id: NS00109377
inchi:
InChI=1S/C18H4F32O2/c19-4(20,6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(48,49)50)1-2-52-3(51)5(21,22)7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)47/h1-2H2

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


name: 6-Phenyl-4-(pyridin-4-yl)-3-[4-(pyrimidin-2-yl)piperazin-1-yl]pyridazine
cas: 886208-76-0
dtxsid: DTXSID50712308
formula: C23H21N7
inchikey: ZPJGUEPHFXPAQF-UHFFFAOYSA-N
norman_susdat_id: NS00073046
smiles: c1ccc(-c2cc(-c3ccncc3)c(N3CCN(c4ncccn4)CC3)nn2)cc1
inchi:
InChI=1S/C23H21N7/c1-2-5-19(6-3-1)21-17-20(18-7-11-24-12-8-18)22(28-27-21)29-13-15-30(16-14-29)23-25-9-4-10-26-23/h1-12,17H,13-16H2


name: Diphenhydramine citrate [USP]
cas: 88637-37-0
dtxsid: DTXSID80237211
formula: C23H29NO8
inchikey: SPCKHVPPRJWQRZ-UHFFFAOYSA-N
norman_susdat_id: NS00076421
smiles: OC(=O)CC(O)(CC(O)=O)C(O)=O.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1
inchi:
InChI=1S/C17H21NO.C6H8O7/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-12,17H,13-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)


name: Retinyl heptanoate
cas: 88641-44-5
dtxsid: DTXSID901008272
formula: C27H40O3
inchikey: WOCSZWGRFOZCKT-NDTUGLLYSA-N
norman_susdat_id: NS00066111
pubchem_cid: 22315862
smiles: O=C(OC(=O)CCCCCC)C=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C
inchi:
InChI=1/C27H40O3/c1-7-8-9-10-16-25(28)30-26(29)20-22(3)14-11-13-21(2)17-18-24-23(4)15-12-19-27(24,5)6/h11,13-14,17-18,20H,7-10,12,15-16,19H2,1-6H3


name: Retinyl cyclopentanecarboxylate
cas: 88641-45-6
chemspiderid: 16439318
dtxsid: DTXSID00237213
formula: C26H38O2
inchikey: MPACCMIQWWLTLS-DBIMOSKASA-N
norman_susdat_id: NS00039283
pubchem_cid: 19816317
smiles: CC(=CCOC(=O)C1CCCC1)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
inchi:
InChI=1S/C26H38O2/c1-20(15-16-24-22(3)12-9-18-26(24,4)5)10-8-11-21(2)17-19-28-25(27)23-13-6-7-14-23/h8,10-11,15-17,23H,6-7,9,12-14,18-19H2,1-5H3/b11-8+,16-15+,20-10+,21-17+


cas: 88645-28-7
dtxsid: DTXSID30105335
norman_susdat_id: NS00109839
name:
Carbonic dichloride, reaction products with reduced ammonia-Me esters of reduced polymd. oxidized tetrafluoroethylene reaction product


name: 1-amino-4-[(3-methoxyphenyl)amino]anthraquinone
cas: 88653-15-0
formula: C21H16N2O3
inchikey: UNQABTJUSVYLOV-UHFFFAOYSA-N
norman_susdat_id: NS00066112
pubchem_cid: 33784
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(N)C13)NC=4C=CC=C(OC)C4
inchi:
InChI=1/C21H16N2O3/c1-26-13-6-4-5-12(11-13)23-17-10-9-16(22)18-19(17)21(25)15-8-3-2-7-14(15)20(18)24/h2-11,23H,22H2,1H3


name: N-[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]-9-octadecenamide
cas: 88658-04-2
formula: C24H50N4O
inchikey: WQTPDIMWAXFYPL-UHFFFAOYSA-N
norman_susdat_id: NS00092358
smiles: CCCCCCCCC=CCCCCCCCC(=O)NCCNCCNCCN
inchi:
InChI=1/C24H50N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29)28-23-22-27-21-20-26-19-18-25/h9-10,26-27H,2-8,11-23,25H2,1H3,(H,28,29)


name: Epicriptine
cas: 88660-47-3
chebiid: CHEBI:135927
dtxsid: DTXSID10869009
formula: C32H43N5O5
inchikey: SBFXHXZNBNFPHV-PXXBSISHSA-N
norman_susdat_id: NS00069851
pubchem_cid: 65667
inchi:
InChI=1S/C32H43N5O5/c1-6-18(4)27-29(39)36-12-8-11-25(36)32(41)37(27)30(40)31(42-32,17(2)3)34-28(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-24(22)35(5)16-20/h7,9-10,15,17-18,20,22,24-25,27,33,41H,6,8,11-14,16H2,1-5H3,(H,34,38)/t18-,20-,22-,24-,25+,27+,31-,32+/m1/s1

smiles:
CC[C@@H](C)[C@H]1C(=O)N2CCC[C@H]2[C@]2(O)O[C@](NC(=O)[C@@H]3C[C@@H]4c5cccc6[nH]cc(c56)C[C@H]4N(C)C3)(C(C)C)C(=O)N12


name: (S)-nicotine dicitrate
cas: 88660-51-9
formula: C10H14N2.2C6H8O7
inchikey: RLNVFOZAFUJKJH-XRIOVQLTSA-N
norman_susdat_id: NS00093093
smiles: CN1CCC[C@H]1c2cccnc2.OC(=O)CC(O)(CC(=O)O)C(=O)O.OC(=O)CC(O)(CC(=O)O)C(=O)O
inchi:
InChI=1/C10H14N2.2C6H8O7/c1-12-7-3-5-10(12)9-4-2-6-11-8-9;2*7-3(8)1-6(13,5(11)12)2-4(9)10/h2,4,6,8,10H,3,5,7H2,1H3;2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)


name: 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-propionic acid
cas: 88661-51-2
dtxsid: DTXSID201008295
formula: C14H16N2O2
inchikey: XIAYIHRUXVWWSD-UHFFFAOYSA-N
norman_susdat_id: NS00064866
pubchem_cid: 11447927
smiles: O=C(O)CCC1NCCC=2C=3C=CC=CC3NC21
inchi:
InChI=1/C14H16N2O2/c17-13(18)6-5-12-14-10(7-8-15-12)9-3-1-2-4-11(9)16-14/h1-4,12,15-16H,5-8H2,(H,17,18)


name: Myclobutanil
cas: 88671-89-0
chebiid: CHEBI:83729
chemspiderid: 6096
dtxsid: DTXSID8024315
formula: C15H17Cl1N4
inchikey: HZJKXKUJVSEEFU-UHFFFAOYSA-N
norman_susdat_id: NS00000451
pubchem_cid: 6336
smiles: Clc1ccc(cc1)C(C#N)(CCCC)Cn2ncnc2
eea_notation: CAS_88671-89-0
inchi:
InChI=1S/C15H17ClN4/c1-2-3-8-15(9-17,10-20-12-18-11-19-20)13-4-6-14(16)7-5-13/h4-7,11-12H,2-3,8,10H2,1H3


name: Pyributicarb
cas: 88678-67-5
chebiid: CHEBI:81736
chemspiderid: 84390
dtxsid: DTXSID2058209
formula: C18H22N2O2S1
inchikey: VTRWMTJQBQJKQH-UHFFFAOYSA-N
norman_susdat_id: NS00001094
pubchem_cid: 93486
smiles: COc1cccc(n1)N(C)C(=S)Oc1cccc(c1)C(C)(C)C
inchi:
InChI=1S/C18H22N2O2S/c1-18(2,3)13-8-6-9-14(12-13)22-17(23)20(4)15-10-7-11-16(19-15)21-5/h6-12H,1-5H3


name: Sodium 2-hydroxy-3-[3-(trihydroxysilyl)propoxy]propanesulphonate
cas: 88684-04-2
formula: C6H16O8SSi.Na
inchikey: FWOXFVYHZDYFCX-UHFFFAOYSA-M
norman_susdat_id: NS00092359
smiles: [Na+].OC(COCCC[Si](O)(O)O)CS(=O)(=O)[O-]
inchi:
InChI=1/C6H16O8SSi.Na/c7-6(5-15(8,9)10)4-14-2-1-3-16(11,12)13;/h6-7,11-13H,1-5H2,(H,8,9,10);/q;+1/p-1


name: (Methylimino)diethane-2,1-diyl dipalmitate
cas: 88703-86-0
chemspiderid: 26552427
dtxsid: DTXSID50237263
formula: C37H73N1O4
inchikey: CBNRTKLQURDWHP-UHFFFAOYSA-N
norman_susdat_id: NS00039289
pubchem_cid: 53421041
smiles: CCCCCCCCCCCCCCCC(=O)OCCN(C)CCOC(=O)CCCCCCCCCCCCCCC
inchi:
InChI=1S/C37H73NO4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-36(39)41-34-32-38(3)33-35-42-37(40)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h4-35H2,1-3H3


cas: 887148-70-1
formula: C20H13F6N3O2S
norman_susdat_id: NS00105975
name:
N-{(1R)-1-cyano-2-[5-cyano-2-(trifluoromethyl)phenoxy]-1-methylethyl}-4-[(trifluoromethyl)thio]benzamide


name: 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(3,5-dichloro-2-hydroxy-4-methylphenyl)hexanamide
cas: 88725-29-5
dtxsid: DTXSID801008324
formula: C29H41Cl2NO3
inchikey: VXHIWXYHLJWULK-UHFFFAOYSA-N
norman_susdat_id: NS00065328
pubchem_cid: 3021336
smiles: O=C(NC1=CC(Cl)=C(C(Cl)=C1O)C)C(OC2=CC=C(C=C2C(C)(C)CC)C(C)(C)CC)CCCC
inchi:
InChI=1/C29H41Cl2NO3/c1-9-12-13-24(27(34)32-22-17-21(30)18(4)25(31)26(22)33)35-23-15-14-19(28(5,6)10-2)16-20(23)29(7,8)11-3/h14-17,24,33H,9-13H2,1-8H3,(H,32,34)


name: JP104
cas: 887264-45-1
chemspiderid: 21467699
formula: C25H30N2O3
inchikey: BCKBOXGAYIOHDQ-UHFFFAOYSA-N
norman_susdat_id: NS00017729
pubchem_cid: 24860363
smiles: C#CCCCCCCCCCNC(=O)OC1=CC=CC(=C1)C2=CC(=CC=C2)C(=O)N
inchi:
InChI=1S/C25H30N2O3/c1-2-3-4-5-6-7-8-9-10-17-27-25(29)30-23-16-12-14-21(19-23)20-13-11-15-22(18-20)24(26)28/h1,11-16,18-19H,3-10,17H2,(H2,26,28)(H,27,29)


name: Mapracorat
cas: 887375-26-0
formula: C25H26F4N2O2
inchikey: VJGFOYBQOIPQFY-XMMPIXPASA-N
norman_susdat_id: NS00072171
pubchem_cid: 24795088
smiles: Cc1ccc2c(NC[C@](O)(CC(C)(C)c3cc(F)cc4c3OCC4)C(F)(F)F)cccc2n1
inchi:
InChI=1S/C25H26F4N2O2/c1-15-7-8-18-20(5-4-6-21(18)31-15)30-14-24(32,25(27,28)29)13-23(2,3)19-12-17(26)11-16-9-10-33-22(16)19/h4-8,11-12,30,32H,9-10,13-14H2,1-3H3/t24-/m1/s1


name: K-115
cas: 887375-67-9
chebiid: CHEBI:136046
formula: C15H18FN3O2S
inchikey: QSKQVZWVLOIIEV-NSHDSACASA-N
norman_susdat_id: NS00069625
pubchem_cid: 9863672
smiles: C[C@H]1CNCCCN1S(=O)(=O)c1cccc2cncc(F)c12
inchi:
InChI=1S/C15H18FN3O2S/c1-11-8-17-6-3-7-19(11)22(20,21)14-5-2-4-12-9-18-10-13(16)15(12)14/h2,4-5,9-11,17H,3,6-8H2,1H3/t11-/m0/s1


name: 2-chloro-4-(dimethylamino)benzaldehyde 1-naphthylphenylhydrazone
cas: 88738-63-0
formula: C25H22ClN3
inchikey: NGOFSBGITLANCF-OVVQPSECSA-N
norman_susdat_id: NS00065329
pubchem_cid: 20650331
smiles: ClC1=CC(=CC=C1C=NN(C=2C=CC=CC2)C3=CC=CC=4C=CC=CC43)N(C)C
inchi:
InChI=1/C25H22ClN3/c1-28(2)22-16-15-20(24(26)17-22)18-27-29(21-11-4-3-5-12-21)25-14-8-10-19-9-6-7-13-23(19)25/h3-18H,1-2H3


name: 4-(1-pyrrolidinyl)benzaldehyde 1-naphthylphenylhydrazone
cas: 88738-70-9
formula: C27H25N3
inchikey: WDLSFCHWUWCFMD-SGWCAAJKSA-N
norman_susdat_id: NS00065330
pubchem_cid: 57355318
smiles: N(=CC1=CC=C(C=C1)N2CCCC2)N(C=3C=CC=CC3)C4=CC=CC=5C=CC=CC54
inchi:
InChI=1/C27H25N3/c1-2-11-25(12-3-1)30(27-14-8-10-23-9-4-5-13-26(23)27)28-21-22-15-17-24(18-16-22)29-19-6-7-20-29/h1-5,8-18,21H,6-7,19-20H2


name: Rifaximin
cas: 88747-56-2
chebiid: CHEBI:75246
chemspiderid: 23975968
dtxsid: DTXSID7045998
formula: C43H51N3O11
inchikey: NZCRJKRKKOLAOJ-XRCRFVBUSA-N
norman_susdat_id: NS00000024
pubchem_cid: 6436173
inchi:
InChI=1S/C43H51N3O11/c1-19-14-16-46-28(18-19)44-32-29-30-37(50)25(7)40-31(29)41(52)43(9,57-40)55-17-15-27(54-10)22(4)39(56-26(8)47)24(6)36(49)23(5)35(48)20(2)12-11-13-21(3)42(53)45-33(34(32)46)38(30)51/h11-18,20,22-24,27,35-36,39,48-51H,1-10H3,(H,45,53)/b12-11+,17-15+,21-13-/t20-,22+,23+,24+,27-,35-,36+,39+,43-/m0/s1

smiles:
C[C@H]1/C=C/C=C(C(=O)NC2=C(C3=C(C4=C(C(=C3O)C)O[C@@](C4=O)(O/C=C/[C@@H]([C@H]([C@H]([C@@H]([C@@H]([C@@H]([C@H]1O)C)O)C)OC(=O)C)C)OC)C)C5=C2N6C=CC(=CC6=N5)C)O)/C


name: (Perfluoro-7-methyloctyl)-2-hydroxypropyl 2-methylprop-2-enoate
cas: 88752-37-8
chemspiderid: 2056556
dtxsid: DTXSID10379911
formula: C16H11F19O3
inchikey: WNVNMSONKCMAPU-UHFFFAOYSA-N
norman_susdat_id: NS00019298
pubchem_cid: 2776235
smiles: CC(=C)C(=O)OCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C16H11F19O3/c1-5(2)7(37)38-4-6(36)3-8(17,18)10(20,21)12(24,25)14(28,29)13(26,27)11(22,23)9(19,15(30,31)32)16(33,34)35/h6,36H,1,3-4H2,2H3


name: Cilazapril
cas: 88768-40-5
chemspiderid: 2649
dtxsid: DTXSID00274385
formula: C22H31N3O5
inchikey: HHHKFGXWKKUNCY-UHFFFAOYSA-N
norman_susdat_id: NS00100931
pubchem_cid: 2751
smiles: CCOC(=O)C(CCc1ccccc1)NC2CCCN3CCCC(N3C2=O)C(=O)O
inchi:
InChI=1S/C22H31N3O5/c1-2-30-22(29)18(13-12-16-8-4-3-5-9-16)23-17-10-6-14-24-15-7-11-19(21(27)28)25(24)20(17)26/h3-5,8-9,17-19,23H,2,6-7,10-15H2,1H3,(H,27,28)


name: N-(p-nitrophenyl)-N-(p-tolylsulphonyl)glycyl-L-prolyl-L-lysinamide, monoacetate
cas: 88793-79-7
formula: C26H35N6O7S
inchikey: XBTWIAVOYHVACN-SJEIDVEUSA-N
norman_susdat_id: NS00065331
pubchem_cid: 56843893
smiles: O=C(O)C.O=C(N)C(NC(=O)C1N(C(=O)CN(C2=CC=C(C=C2)[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)C)CCC1)CCCCN
inchi:
InChI=1/C26H34N6O7S.C2H4O2/c1-18-7-13-21(14-8-18)40(38,39)31(19-9-11-20(12-10-19)32(36)37)17-24(33)30-16-4-6-23(30)26(35)29-22(25(28)34)5-2-3-15-27;1-2(3)4/h7-14,22-23H,2-6,15-17,27H2,1H3,(H2,28,34)(H,29,35);1H3,(H,3,4)


name: N-[(benzyloxy)carbonyl]glycyl-L-prolyl-N-(p-nitrophenyl)-L-argininamide monoacetate
cas: 88793-80-0
dtxsid: DTXSID10237320
formula: C27H35N8O7
inchikey: FPMAXHHYPVIJMC-VROPFNGYSA-N
norman_susdat_id: NS00064810
pubchem_cid: 71308547
smiles: O=C(OCC=1C=CC=CC1)NCC(=O)N2CCCC2C(=O)NC(C(=O)NC3=CC=C(C=C3)[N+](=O)[O-])CCCNC(=N)N.O=C(O)C
inchi:
InChI=1/C27H34N8O7.C2H4O2/c28-26(29)30-14-4-8-21(24(37)32-19-10-12-20(13-11-19)35(40)41)33-25(38)22-9-5-15-34(22)23(36)16-31-27(39)42-17-18-6-2-1-3-7-18;1-2(3)4/h1-3,6-7,10-13,21-22H,4-5,8-9,14-17H2,(H,31,39)(H,32,37)(H,33,38)(H4,28,29,30);1H3,(H,3,4)


cas: 888072-47-7
formula: C14H10F6N4O
inchikey: RYBKPGYFXRNMMU-LBPRGKRZSA-N
norman_susdat_id: NS00071839
pubchem_cid: 11703306
smiles: C[C@@]1(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC(C(F)(F)F)=NN1
name:
N-[4-cyano-3-(trifluoromethyl)phenyl]-5-methyl-3-(trifluoromethyl)-4,5-dihydro-1h-pyrazole-5-carboxamide

inchi:
InChI=1S/C14H10F6N4O/c1-12(5-10(23-24-12)14(18,19)20)11(25)22-8-3-2-7(6-21)9(4-8)13(15,16)17/h2-4,24H,5H2,1H3,(H,22,25)/t12-/m0/s1


name: Ganetespib
cas: 888216-25-9
formula: C20H20N4O3
inchikey: RVAQIUULWULRNW-UHFFFAOYSA-N
norman_susdat_id: NS00072503
smiles: CC(C)c1cc(-c2n[nH]c(=O)n2-c2ccc3c(ccn3C)c2)c(O)cc1O
inchi:
InChI=1S/C20H20N4O3/c1-11(2)14-9-15(18(26)10-17(14)25)19-21-22-20(27)24(19)13-4-5-16-12(8-13)6-7-23(16)3/h4-11,25-26H,1-3H3,(H,22,27)


name: 8-Hydroxy-2'-deoxyguanosine
cas: 88847-89-6
chebiid: CHEBI:40304
dtxsid: DTXSID60904338
formula: C10H13N5O5
inchikey: HCAJQHYUCKICQH-VPENINKCSA-N
norman_susdat_id: NS00071333
smiles: Nc1nc2c([nH]c(=O)n2[C@H]2C[C@H](O)[C@@H](CO)O2)c(=O)[nH]1
inchi:
InChI=1S/C10H13N5O5/c11-9-13-7-6(8(18)14-9)12-10(19)15(7)5-1-3(17)4(2-16)20-5/h3-5,16-17H,1-2H2,(H,12,19)(H3,11,13,14,18)/t3-,4+,5+/m0/s1


name: Trospectomycin
cas: 88851-61-0
chebiid: CHEBI:135577
chemspiderid: 50466
dtxsid: DTXSID20869010
formula: C17H30N2O7
inchikey: KHAUBYTYGDOYRU-IRXASZMISA-N
norman_susdat_id: NS00011761
pubchem_cid: 55886
smiles: CCCC[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O
inchi:
InChI=1S/C17H30N2O7/c1-4-5-6-8-7-9(20)17(23)16(24-8)25-15-13(22)10(18-2)12(21)11(19-3)14(15)26-17/h8,10-16,18-19,21-23H,4-7H2,1-3H3/t8-,10-,11+,12+,13+,14-,15-,16+,17+/m1/s1


name: Mafosfamide
cas: 88859-04-5
dtxsid: DTXSID90905075
formula: C9H19Cl2N2O5PS2
inchikey: PBUUPFTVAPUWDE-UGZDLDLSSA-N
norman_susdat_id: NS00071775
pubchem_cid: 76968809
smiles: O=[P@@]1(N(CCCl)CCCl)N[C@@H](SCCS(=O)(=O)O)CCO1
inchi:
InChI=1S/C9H19Cl2N2O5PS2/c10-2-4-13(5-3-11)19(14)12-9(1-6-18-19)20-7-8-21(15,16)17/h9H,1-8H2,(H,12,14)(H,15,16,17)/t9-,19-/m0/s1


name: Bms-2
cas: 888719-03-7
dtxsid: DTXSID50610618
formula: C25H16F2N4O3
inchikey: OBSFXHDOLBYWRJ-UHFFFAOYSA-N
norman_susdat_id: NS00071621
pubchem_cid: 21081761
smiles: O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O
inchi:
InChI=1S/C25H16F2N4O3/c26-15-3-6-17(7-4-15)31-13-1-2-19(25(31)33)24(32)30-16-5-8-22(20(27)14-16)34-21-10-12-29-23-18(21)9-11-28-23/h1-14H,(H,28,29)(H,30,32)


name: Bafilomycin A1
cas: 88899-55-2
chemspiderid: 2200
formula: C35H58O9
inchikey: XDHNQDDQEHDUTM-UHFFFAOYSA-N
norman_susdat_id: NS00011695
pubchem_cid: 2287
smiles: CC1CC(=CC=CC(C(OC(=O)C(=CC(=CC(C1O)C)C)OC)C(C)C(C(C)C2(CC(C(C(O2)C(C)C)C)O)O)O)OC)C
inchi:
InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3


name: Bafilomycin B1
cas: 88899-56-3
chemspiderid: 4945153
formula: C44H65N1O13
inchikey: KFUFLYSBMNNJTF-NCGQFCKNSA-N
norman_susdat_id: NS00011693
pubchem_cid: 23305242
inchi:
InChI=1S/C44H65NO13/c1-23(2)41-28(7)35(56-37(49)18-17-36(48)45-38-31(46)15-16-32(38)47)22-44(53,58-41)30(9)40(51)29(8)42-33(54-10)14-12-13-24(3)19-26(5)39(50)27(6)20-25(4)21-34(55-11)43(52)57-42/h12-14,17-18,20-21,23,26-30,33,35,39-42,46,50-51,53H,15-16,19,22H2,1-11H3,(H,45,48)/b14-12-,18-17+,24-13-,25-20-,34-21-/t26-,27+,28-,29-,30-,33-,35+,39-,40+,41+,42?,44+/m0/s1

smiles:
C[C@H]1C/C(=CC=C/[C@@H](C(OC(=O)/C(=C/C(=C[C@H]([C@H]1O)C)/C)/OC)[C@@H](C)[C@H]([C@H](C)[C@]2(C[C@H]([C@@H]([C@H](O2)C(C)C)C)OC(=O)/C=C/C(=O)NC3=C(CCC3=O)O)O)O)OC)/C


name: Cabenoside D
cas: 88901-40-0
chemspiderid: 44584114
formula: C36H60O9
inchikey: XMWIWVZEGGOMAU-CDPRDXQRSA-N
norman_susdat_id: NS00094090
pubchem_cid: 24713254
smiles:
C[C@H](CC[C@H](C(C)(C)O)O)[C@H]1CC[C@@]2([C@@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3CC[C@@H](C4(C)C)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)C)C)C


name: Didesmethyl sumatriptan
cas: 88919-22-6
chemspiderid: 7989738
dtxsid: DTXSID90237424
formula: C12H17N3O2S1
inchikey: MURZXKIEJFJMPP-UHFFFAOYSA-N
norman_susdat_id: NS00039298
pubchem_cid: 9813988
smiles: Cn1cc(CCN)c2cc(CS(=O)(=O)N)ccc12
inchi:
InChI=1S/C12H17N3O2S/c1-15-7-10(4-5-13)11-6-9(2-3-12(11)15)8-18(14,16)17/h2-3,6-7H,4-5,8,13H2,1H3,(H2,14,16,17)


name: 6β-Hydroxyfluoxymesterone
cas: 88936-08-7
chemspiderid: 9177852
formula: C20H29F1O4
inchikey: SAMKMXPGYNTUIZ-UHFFFAOYSA-N
norman_susdat_id: NS00014905
pubchem_cid: 537089
smiles: O=C1CCC2(C(=C1)C(O)CC1C2(F)C(O)CC2(C1CCC2(C)O)C)C
inchi:
InChI=1S/C20H29FO4/c1-17-6-4-11(22)8-14(17)15(23)9-13-12-5-7-19(3,25)18(12,2)10-16(24)20(13,17)21/h8,12-13,15-16,23-25H,4-7,9-10H2,1-3H3


cas: 88938-35-6
formula: C25H24N4O6
inchikey: HXWRZPWVMDQIFO-UHFFFAOYSA-N
norman_susdat_id: NS00064867
pubchem_cid: NA
smiles: N#CC=1C(=O)N(C(O)=C(N=NC2=CC=C(C=C2)C(=O)OCCOCCOC=3C=CC=CC3)C1C)C
name:
2-(2-phenoxyethoxy)ethyl 4-[(5-cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxopyridin-3-yl)azo]benzoate

inchi:
InChI=1/C25H24N4O6/c1-17-21(16-26)23(30)29(2)24(31)22(17)28-27-19-10-8-18(9-11-19)25(32)35-15-13-33-12-14-34-20-6-4-3-5-7-20/h3-11,31H,12-15H2,1-2H3


cas: 88938-37-8
chemspiderid: 23353533
dtxsid: DTXSID70888216
formula: C23H20N4O5
inchikey: YKAFVGVUDLQIBB-UHFFFAOYSA-N
norman_susdat_id: NS00009295
pubchem_cid: NA
smiles: Cc1c(N=Nc2ccc(cc2)C(=O)OCCOc2ccccc2)c(O)n(C)c(=O)c1C#N
name:
Benzoic acid, 4-[2-(5-cyano-1,6-dihydro-2-hydroxy-1,4-dimethyl-6-oxo-3-pyridinyl)diazenyl]-, 2-phenoxyethyl ester

inchi:
InChI=1S/C23H20N4O5/c1-15-19(14-24)21(28)27(2)22(29)20(15)26-25-17-10-8-16(9-11-17)23(30)32-13-12-31-18-6-4-3-5-7-18/h3-11,29H,12-13H2,1-2H3


cas: 88938-51-6
chemspiderid: 35308433
formula: C21H21Br1N6O10
inchikey: TWMVKFBKKKQSHA-UHFFFAOYSA-N
norman_susdat_id: NS00005882
pubchem_cid: 90289624
smiles: COC(=O)CN(CC(=O)OC)c1cc(NC(C)=O)c(cc1OC)N=Nc1c(Br)cc(cc1[N+]([O-])=O)[N+]([O-])=O
name:
methyl 2â€({4â€[2â€(2â€bromoâ€4,6â€dinitrophenyl)diazenâ€1â€yl]â€5â€acetamidoâ€2â€methoxyphenyl}(2â€methoxyâ€2â€oxoethyl)amino)acetate

inchi:
InChI=1S/C21H21BrN6O10/c1-11(29)23-14-7-16(26(9-19(30)37-3)10-20(31)38-4)18(36-2)8-15(14)24-25-21-13(22)5-12(27(32)33)6-17(21)28(34)35/h5-8H,9-10H2,1-4H3,(H,23,29)


name: ((5-Acetamido-4-((5-nitrothiazol-2-yl)azo)-2-methoxyphenyl)imino)diethyl dipropionate
cas: 88938-56-1
chemspiderid: 21165326
dtxsid: DTXSID20237432
formula: C22H28N6O8S1
inchikey: FRCAJBYHCIPLTD-OCEACIFDSA-N
norman_susdat_id: NS00039299
pubchem_cid: NA
smiles: CCC(=O)OCCN(CCOC(=O)CC)c1c(OC)cc(N=Nc2ncc(s2)[N+](=O)[O-])c(NC(=O)C)c1
inchi:
InChI=1S/C22H28N6O8S/c1-5-20(30)35-9-7-27(8-10-36-21(31)6-2)17-11-15(24-14(3)29)16(12-18(17)34-4)25-26-22-23-13-19(37-22)28(32)33/h11-13H,5-10H2,1-4H3,(H,24,29)/b26-25+


cas: 88949-22-8
chemspiderid: 23353534
dtxsid: DTXSID60237436
formula: C60H63N12
inchikey: KNBISBCBPCETQE-UHFFFAOYSA-N
norman_susdat_id: NS00039300
pubchem_cid: 56843896
name:
2,2',2''-(1,3,5-Triazine-2,4,6-triyltris(imino-p-phenyleneiminovinylene))tris(1,3,3-trimethyl-3H-indolium) triformate

inchi:
InChI=1S/C60H60N12/c1-58(2)46-16-10-13-19-49(46)70(7)52(58)34-37-61-40-22-28-43(29-23-40)64-55-67-56(65-44-30-24-41(25-31-44)62-38-35-53-59(3,4)47-17-11-14-20-50(47)71(53)8)69-57(68-55)66-45-32-26-42(27-33-45)63-39-36-54-60(5,6)48-18-12-15-21-51(48)72(54)9/h10-39H,1-9H3,(H3,64,65,66,67,68,69)/p+3

smiles:
[O-]C=O.[O-]C=O.[O-]C=O.C[N+]1=C(C=CNc2ccc(Nc3nc(Nc4ccc(NC=CC5=[N+](C)c6ccccc6C5(C)C)cc4)nc(Nc4ccc(NC=CC5=[N+](C)c6ccccc6C5(C)C)cc4)n3)cc2)C(C)(C)c2ccccc12


name: 3,6-bis-biphenyl-4-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-1,4-dione
cas: 88949-33-1
chemspiderid: 13081971
formula: C30H20N2O2
inchikey: YLGDYASRRVBIRS-UHFFFAOYSA-N
norman_susdat_id: NS00007840
pubchem_cid: 15883807
smiles: O=C1NC(=C2C(=O)NC(=C12)c1ccc(cc1)-c1ccccc1)c1ccc(cc1)-c1ccccc1
inchi:
InChI=1S/C30H20N2O2/c33-29-25-26(28(32-29)24-17-13-22(14-18-24)20-9-5-2-6-10-20)30(34)31-27(25)23-15-11-21(12-16-23)19-7-3-1-4-8-19/h1-18H,(H,31,34)(H,32,33)


name: Methyl 4-(undecafluoropentyl)cyclohexane-1-carboxylate
cas: 88951-15-9
dtxsid: DTXSID40750739
formula: C13H13F11O2
inchikey: HAROAHMBILCWPT-UHFFFAOYSA-N
norman_susdat_id: NS00110240
smiles: COC(=O)C1CCC(CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C13H13F11O2/c1-26-8(25)6-2-4-7(5-3-6)9(14,15)10(16,17)11(18,19)12(20,21)13(22,23)24/h6-7H,2-5H2,1H3


name: Methyl 4-(tridecafluorohexyl)cyclohexane-1-carboxylate
cas: 88951-16-0
dtxsid: DTXSID50750740
formula: C14H13F13O2
inchikey: ZCZKRXXSTCAKRS-UHFFFAOYSA-N
norman_susdat_id: NS00110579
smiles: COC(=O)C1CCC(CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14H13F13O2/c1-29-8(28)6-2-4-7(5-3-6)9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h6-7H,2-5H2,1H3


name: Methyl 4-(pentadecafluoroheptyl)cyclohexane-1-carboxylate
cas: 88951-17-1
dtxsid: DTXSID10750741
formula: C15H13F15O2
inchikey: QMBKVVQPTHZMIX-UHFFFAOYSA-N
norman_susdat_id: NS00109198
smiles: COC(=O)C1CCC(CC1)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/C15H13F15O2/c1-32-8(31)6-2-4-7(5-3-6)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h6-7H,2-5H2,1H3


name: (1s,4s)-4-(Nonafluorobutyl)cyclohexane-1-carboxamide
cas: 88951-20-6
dtxsid: DTXSID10896714
formula: C11H12F9NO
inchikey: GCSSQLSSPUPLPE-OLQVQODUSA-N
norman_susdat_id: NS00109448
smiles: NC(=O)[C@H]1CC[C@H](CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C11H12F9NO/c12-8(13,6-3-1-5(2-4-6)7(21)22)9(14,15)10(16,17)11(18,19)20/h5-6H,1-4H2,(H2,21,22)/t5-,6+


name: (1r,4r)-4-(Nonafluorobutyl)cyclohexane-1-carboxamide
cas: 88951-21-7
dtxsid: DTXSID70896715
formula: C11H12F9NO
inchikey: GCSSQLSSPUPLPE-IZLXSQMJSA-N
norman_susdat_id: NS00111514
smiles: NC(=O)[C@H]1CC[C@@H](CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C11H12F9NO/c12-8(13,6-3-1-5(2-4-6)7(21)22)9(14,15)10(16,17)11(18,19)20/h5-6H,1-4H2,(H2,21,22)/t5-,6-


name: (1s,4s)-4-(Nonafluorobutyl)cyclohexane-1-carboxylic acid
cas: 88951-24-0
dtxsid: DTXSID90896712
formula: C11H11F9O2
inchikey: IVISRMWAKRCKHH-OLQVQODUSA-N
norman_susdat_id: NS00112199
smiles: OC(=O)[C@H]1CC[C@H](CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C11H11F9O2/c12-8(13,6-3-1-5(2-4-6)7(21)22)9(14,15)10(16,17)11(18,19)20/h5-6H,1-4H2,(H,21,22)/t5-,6+


name: (1r,4r)-4-(Nonafluorobutyl)cyclohexane-1-carboxylic acid
cas: 88951-25-1
dtxsid: DTXSID30896711
formula: C11H11F9O2
inchikey: IVISRMWAKRCKHH-IZLXSQMJSA-N
norman_susdat_id: NS00110137
smiles: OC(=O)[C@H]1CC[C@@H](CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C11H11F9O2/c12-8(13,6-3-1-5(2-4-6)7(21)22)9(14,15)10(16,17)11(18,19)20/h5-6H,1-4H2,(H,21,22)/t5-,6-


name: 4-(Undecafluoropentyl)cyclohexane-1-carboxylic acid
cas: 88951-26-2
dtxsid: DTXSID70720561
formula: C12H11F11O2
inchikey: BLCCCCKQIIVTLU-UHFFFAOYSA-N
norman_susdat_id: NS00111264
smiles: OC(=O)C1CCC(CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H11F11O2/c13-8(14,6-3-1-5(2-4-6)7(24)25)9(15,16)10(17,18)11(19,20)12(21,22)23/h5-6H,1-4H2,(H,24,25)


name: 4-(Tridecafluorohexyl)cyclohexane-1-carboxylic acid
cas: 88951-27-3
dtxsid: DTXSID10720484
formula: C13H11F13O2
inchikey: OYZREMJZZYHBTI-UHFFFAOYSA-N
norman_susdat_id: NS00109192
smiles: OC(=O)C1CCC(CC1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C13H11F13O2/c14-8(15,6-3-1-5(2-4-6)7(27)28)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h5-6H,1-4H2,(H,27,28)


name: 4-(Pentadecafluoroheptyl)cyclohexane-1-carboxylic acid
cas: 88951-28-4
dtxsid: DTXSID20595367
formula: C14H11F15O2
inchikey: RSWLJPUDHSYLBQ-UHFFFAOYSA-N
norman_susdat_id: NS00109538
smiles: OC(=O)C1CCC(CC1)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/C14H11F15O2/c15-8(16,6-3-1-5(2-4-6)7(30)31)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)29/h5-6H,1-4H2,(H,30,31)


name: N-(2-Amino-5-benzoylphenyl)propane-1-sulphonamide
cas: 88965-53-1
chemspiderid: 2288023
dtxsid: DTXSID90237449
formula: C16H18N2O3S1
inchikey: ANPFMRPEXKODMN-UHFFFAOYSA-N
norman_susdat_id: NS00039302
pubchem_cid: 3021369
smiles: CCCS(=O)(=O)Nc1c(N)ccc(c1)C(=O)c1ccccc1
inchi:
InChI=1S/C16H18N2O3S/c1-2-10-22(20,21)18-15-11-13(8-9-14(15)17)16(19)12-6-4-3-5-7-12/h3-9,11,18H,2,10,17H2,1H3


name: Heptaethylene glycol perfluoro-2-isopropyl-1,3-dimethylbut-1-enyl methyl ether
cas: 88987-13-7
dtxsid: DTXSID70893300
formula: C24H31F17O8
inchikey: AJMIZAKQWZPWEH-UHFFFAOYSA-N
norman_susdat_id: NS00111364
smiles: COCCOCCOCCOCCOCCOCCOCCOC(=C(C(F)(C(F)(F)F)C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C24H31F17O8/c1-42-2-3-43-4-5-44-6-7-45-8-9-46-10-11-47-12-13-48-14-15-49-17(20(27,28)29)16(18(25,21(30,31)32)22(33,34)35)19(26,23(36,37)38)24(39,40)41/h2-15H2,1H3


name: 6:2 Fluorotelomer thiohydroxy ammonium chloride
cas: 88992-45-4
dtxsid: DTXSID50892533
formula: C14H19ClF13NOS
inchikey: AATYNBPIINGGLV-UHFFFAOYSA-M
norman_susdat_id: NS00110675
smiles: [Cl-].C[N+](C)(C)CC(O)CSCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C14H19F13NOS.ClH/c1-28(2,3)6-8(29)7-30-5-4-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27;/h8,29H,4-7H2,1-3H3;1H/q+1;/p-1


name: Trioctyl trimellitate
cas: 89-04-3
chemspiderid: 6694
dtxsid: DTXSID0047533
formula: C33H54O6
inchikey: JNXDCMUUZNIWPQ-UHFFFAOYSA-N
norman_susdat_id: NS00005471
pubchem_cid: 6960
smiles: CCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC)c(c1)C(=O)OCCCCCCCC
inchi:
InChI=1S/C33H54O6/c1-4-7-10-13-16-19-24-37-31(34)28-22-23-29(32(35)38-25-20-17-14-11-8-5-2)30(27-28)33(36)39-26-21-18-15-12-9-6-3/h22-23,27H,4-21,24-26H2,1-3H3


name: Pyromellitic acid
cas: 89-05-4
chebiid: CHEBI:45165
chemspiderid: 6695
dtxsid: DTXSID8044466
formula: C10H6O8
inchikey: CYIDZMCFTVVTJO-UHFFFAOYSA-N
norman_susdat_id: NS00007494
pubchem_cid: 6961
smiles: OC(=O)c1cc(C(O)=O)c(cc1C(O)=O)C(O)=O
inchi:
InChI=1S/C10H6O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18)


name: 4,4'-Methylenebis(N,N-dimethyl-2-nitroaniline)
cas: 89-09-8
chemspiderid: 59997
dtxsid: DTXSID30237468
formula: C17H20N4O4
inchikey: MQXGBQVYQQCHSM-UHFFFAOYSA-N
norman_susdat_id: NS00039305
pubchem_cid: 66630
smiles: CN(C)c1c(cc(Cc2cc(c(cc2)N(C)C)[N+](=O)[O-])cc1)[N+](=O)[O-]
inchi:
InChI=1S/C17H20N4O4/c1-18(2)14-7-5-12(10-16(14)20(22)23)9-13-6-8-15(19(3)4)17(11-13)21(24)25/h5-8,10-11H,9H2,1-4H3


name: 2-ethylhexyl 8-methylnonyl phthalate
cas: 89-13-4
dtxsid: DTXSID70883266
formula: C26H42O4
inchikey: KRVAUPJDDLBZBB-UHFFFAOYSA-N
norman_susdat_id: NS00041243
pubchem_cid: 103767
smiles: O=C(OCCCCCCCC(C)C)C=1C=CC=CC1C(=O)OCC(CC)CCCC
inchi:
InChI=1/C26H42O4/c1-5-7-16-22(6-2)20-30-26(28)24-18-13-12-17-23(24)25(27)29-19-14-10-8-9-11-15-21(3)4/h12-13,17-18,21-22H,5-11,14-16,19-20H2,1-4H3


name: Bis(8-methylnonyl) phthalate
cas: 89-16-7
chemspiderid: 21258010
dtxsid: DTXSID50274032
formula: C26H47O3P1
inchikey: PYBIVQKGIABWHF-UHFFFAOYSA-N
norman_susdat_id: NS00005632
pubchem_cid: 14251984
smiles: CC(C)CCCCCCCOP(=O)(OCCCCCCCC(C)C)c1ccccc1
inchi:
InChI=1S/C26H47O3P/c1-24(2)18-12-7-5-9-16-22-28-30(27,26-20-14-11-15-21-26)29-23-17-10-6-8-13-19-25(3)4/h11,14-15,20-21,24-25H,5-10,12-13,16-19,22-23H2,1-4H3


name: Butyl decyl phthalate
cas: 89-19-0
chemspiderid: 6697
dtxsid: DTXSID7052600
formula: C22H34O4
inchikey: NJMAFLHPUNGKOD-UHFFFAOYSA-N
norman_susdat_id: NS00039310
pubchem_cid: 6963
smiles: CCCCCCCCCCOC(=O)c1c(cccc1)C(=O)OCCCC
inchi:
InChI=1S/C22H34O4/c1-3-5-7-8-9-10-11-14-18-26-22(24)20-16-13-12-15-19(20)21(23)25-17-6-4-2/h12-13,15-16H,3-11,14,17-18H2,1-2H3


name: 6-Dodecyl-1,2-dihydro-2,2,4-trimethylquinoline
cas: 89-28-1
chemspiderid: 6699
dtxsid: DTXSID2052601
formula: C24H39N1
inchikey: DOFLWDGGNKBGSL-UHFFFAOYSA-N
norman_susdat_id: NS00039318
pubchem_cid: 6965
smiles: CCCCCCCCCCCCc1cc2c(NC(C)(C)C=C2C)cc1
inchi:
InChI=1S/C24H39N/c1-5-6-7-8-9-10-11-12-13-14-15-21-16-17-23-22(18-21)20(2)19-24(3,4)25-23/h16-19,25H,5-15H2,1-4H3


name: Methyl 2-[(7-hydroxy-3,7-dimethyloctylidene)amino]benzoate
cas: 89-43-0
chemspiderid: 88590
dtxsid: DTXSID0044579
formula: C18H27N1O3
inchikey: BFBPISPWJZMWJN-CPNJWEJPSA-N
norman_susdat_id: NS00012634
pubchem_cid: NA
smiles: COC(=O)c1ccccc1N=CCC(C)CCCC(C)(C)O
inchi:
InChI=1S/C18H27NO3/c1-14(8-7-12-18(2,3)21)11-13-19-16-10-6-5-9-15(16)17(20)22-4/h5-6,9-10,13-14,21H,7-8,11-12H2,1-4H3


name: MENTHYL SALICYLATE
cas: 89-46-3
chemspiderid: 6704
formula: C17H24O3
inchikey: SJOXEWUZWQYCGL-UHFFFAOYSA-N
norman_susdat_id: NS00013846
pubchem_cid: 6970
smiles: CC(C)C1CCC(C)CC1OC(=O)c2ccccc2O
inchi:
InChI=1S/C17H24O3/c1-11(2)13-9-8-12(3)10-16(13)20-17(19)14-6-4-5-7-15(14)18/h4-7,11-13,16,18H,8-10H2,1-3H3


name: 2'-Deoxyinosin
cas: 890-38-0
chemspiderid: 619
formula: C10H12N4O4
inchikey: VGONTNSXDCQUGY-UHFFFAOYSA-N
norman_susdat_id: NS00003445
pubchem_cid: 639
smiles: OCC1OC(CC1O)n1cnc2c1[nH]cnc2=O
inchi:
InChI=1S/C10H12N4O4/c15-2-6-5(16)1-7(18-6)14-4-13-8-9(14)11-3-12-10(8)17/h3-7,15-16H,1-2H2,(H,11,12,17)


name: Territrem C
cas: 89020-33-7
dtxsid: DTXSID60897216
formula: C28H32O9
inchikey: FTTNXWIFPFEOQT-JUDWXZBOSA-N
norman_susdat_id: NS00075491
smiles: COC1=CC(=CC(OC)=C1O)C1=CC2=C(C[C@@]3(O)[C@@](C)(CC[C@@]4(O)C(C)(C)C=CC(=O)[C@]34C)O2)C(=O)O1
inchi:
InChI=1S/C28H32O9/c1-24(2)8-7-21(29)26(4)27(24,32)10-9-25(3)28(26,33)14-16-18(37-25)13-17(36-23(16)31)15-11-19(34-5)22(30)20(12-15)35-6/h7-8,11-13,30,32-33H,9-10,14H2,1-6H3/t25-,26+,27-,28-/m1/s1


name: Tris(2-hydroxyethyl)ammonium (2-naphthyloxy)acetate
cas: 89026-22-2
formula: C12H10O3.C6H15NO3
inchikey: ZWGDPPZBIBCVLL-UHFFFAOYSA-N
norman_susdat_id: NS00092636
smiles: OCC[NH+](CCO)CCO.[O-]C(=O)COc1ccc2ccccc2c1
inchi:
InChI=1/C12H10O3.C6H15NO3/c13-12(14)8-15-11-6-5-9-3-1-2-4-10(9)7-11;8-4-1-7(2-5-9)3-6-10/h1-7H,8H2,(H,13,14);8-10H,1-6H2


name: Fluvoxamine, (Z)-
cas: 89035-92-7
dtxsid: DTXSID60237496
formula: C15H21F3N2O2
inchikey: CJOFXWAVKWHTFT-ZHZULCJRSA-N
norman_susdat_id: NS00076355
smiles: COCCCCC(=NOCCN)C1=CC=C(C=C1)C(F)(F)F
inchi:
InChI=1S/C15H21F3N2O2/c1-21-10-3-2-4-14(20-22-11-9-19)12-5-7-13(8-6-12)15(16,17)18/h5-8H,2-4,9-11,19H2,1H3/b20-14-


name: [13C12] 2,3,7,8-TCDF
cas: 89059-46-1
chemspiderid: 160773
dtxsid: DTXSID001008637
formula: C12H4Cl4O
inchikey: KSMVNVHUTQZITP-WCGVKTIYSA-N
norman_susdat_id: NS00066916
pubchem_cid: 184928
smiles: [13cH]1[13c]2[13c]3[13cH][13c]([13c]([13cH][13c]3o[13c]2[13cH][13c]([13c]1Cl)Cl)Cl)Cl
inchi:
InChI=1S/C12H4Cl4O/c13-7-1-5-6-2-8(14)10(16)4-12(6)17-11(5)3-9(7)15/h1-4H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1


name: 4-hydroxy-1-[2-(propan-2-yloxy)ethyl]-1h,2h,5h-pyrrolo[3,2-d]pyrimidine-2-thione
cas: 890655-80-8
formula: C11H15N3O2S
inchikey: FVJCUZCRPIMVLB-UHFFFAOYSA-N
norman_susdat_id: NS00072090
pubchem_cid: 11528958
smiles: CC(C)OCCn1c(=S)nc(O)c2[nH]ccc21
inchi:
InChI=1S/C11H15N3O2S/c1-7(2)16-6-5-14-8-3-4-12-9(8)10(15)13-11(14)17/h3-4,7,12H,5-6H2,1-2H3,(H,13,15,17)


name: [2-[[4-(aminosulphonyl)phenyl]amino]-1,4-dihydro-4-oxo-5-pyrimidinyl]carbamoyl chloride
cas: 89074-09-9
dtxsid: DTXSID30237529
formula: C11H10ClN5O4S
inchikey: QOYFQJMEOJHGAS-UHFFFAOYSA-N
norman_susdat_id: NS00064868
pubchem_cid: 3021398
smiles: O=C(Cl)NC1=CNC(=NC1=O)NC2=CC=C(C=C2)S(=O)(=O)N
inchi:
InChI=1/C11H10ClN5O4S/c12-10(19)16-8-5-14-11(17-9(8)18)15-6-1-3-7(4-2-6)22(13,20)21/h1-5H,(H,16,19)(H2,13,20,21)(H2,14,15,17,18)


name: 1-Oxaspiro[4.5]deca-3,6-diene, 2,7-dimethyl-10-(1-methylethyl)-
cas: 89079-92-5
chemspiderid: 14964823
dtxsid: DTXSID4051407
formula: C14H22O1
inchikey: QQLMXACDDRGTPU-UHFFFAOYNA-N
norman_susdat_id: NS00020455
pubchem_cid: NA
smiles: CC(C)C1CCC(C)=CC11OC(C)C=C1
inchi:
InChI=1S/C14H22O/c1-10(2)13-6-5-11(3)9-14(13)8-7-12(4)15-14/h7-10,12-13H,5-6H2,1-4H3/t12-,13-,14+/m1/s1


name: Declopramide
cas: 891-60-1
dtxsid: DTXSID20862460
formula: C13H20ClN3O
inchikey: YEYAKZXEBSVURO-UHFFFAOYSA-N
norman_susdat_id: NS00068630
pubchem_cid: 70177
smiles: CCN(CC)CCNC(=O)c1ccc(N)c(Cl)c1
inchi:
InChI=1S/C13H20ClN3O/c1-3-17(4-2)8-7-16-13(18)10-5-6-12(15)11(14)9-10/h5-6,9H,3-4,7-8,15H2,1-2H3,(H,16,18)


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-Pentacosafluorotetradecane
cas: 89109-68-2
dtxsid: DTXSID30895289
formula: C14H5F25
inchikey: NMZHRKYJNDJFQW-UHFFFAOYSA-N
norman_susdat_id: NS00110016
smiles: CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14H5F25/c1-2-3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)39/h2H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-Pentacosafluorohexadecane
cas: 89109-69-3
dtxsid: DTXSID80895330
formula: C16H9F25
inchikey: ADCGKSAFZSUUER-UHFFFAOYSA-N
norman_susdat_id: NS00111725
smiles: CCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C16H9F25/c1-2-3-4-5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)13(33,34)14(35,36)15(37,38)16(39,40)41/h2-4H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-Pentacosafluorooctadecane
cas: 89109-70-6
dtxsid: DTXSID20895354
formula: C18H13F25
inchikey: JJGNXYKBILNAHA-UHFFFAOYSA-N
norman_susdat_id: NS00109673
smiles: CCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C18H13F25/c1-2-3-4-5-6-7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)12(29,30)13(31,32)14(33,34)15(35,36)16(37,38)17(39,40)18(41,42)43/h2-6H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-Pentacosafluorotetracosane
cas: 89109-71-7
dtxsid: DTXSID30895380
formula: C24H25F25
inchikey: CNQSTXRQMOWWFI-UHFFFAOYSA-N
norman_susdat_id: NS00110025
smiles: CCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C24H25F25/c1-2-3-4-5-6-7-8-9-10-11-12-13(25,26)14(27,28)15(29,30)16(31,32)17(33,34)18(35,36)19(37,38)20(39,40)21(41,42)22(43,44)23(45,46)24(47,48)49/h2-12H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-Pentacosafluorodotriacontane
cas: 89109-72-8
dtxsid: DTXSID00895453
formula: C32H41F25
inchikey: PVFJLWHOPPXJMD-UHFFFAOYSA-N
norman_susdat_id: NS00108974
inchi:
InChI=1S/C32H41F25/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(33,34)22(35,36)23(37,38)24(39,40)25(41,42)26(43,44)27(45,46)28(47,48)29(49,50)30(51,52)31(53,54)32(55,56)57/h2-20H2,1H3

smiles:
CCCCCCCCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: 4'-Butyl[1,1'-bi(cyclohexane)]-4-carboxylic acid
cas: 89111-63-7
chemspiderid: 283057
dtxsid: DTXSID90364825
formula: C17H30O2
inchikey: XYKCCZSKCZRZST-UHFFFAOYSA-N
norman_susdat_id: NS00039306
pubchem_cid: 1712162
smiles: CCCCC1CCC(CC1)C1CCC(CC1)C(O)=O
inchi:
InChI=1S/C17H30O2/c1-2-3-4-13-5-7-14(8-6-13)15-9-11-16(12-10-15)17(18)19/h13-16H,2-12H2,1H3,(H,18,19)/t13-,14-,15-,16-


name: 4-(2,2-Diphenylethenyl)-N,N-diphenylaniline
cas: 89114-90-9
chemspiderid: 3086065
dtxsid: DTXSID20397500
formula: C32H25N1
inchikey: NIZIGUQDQIALBQ-UHFFFAOYSA-N
norman_susdat_id: NS00002109
pubchem_cid: 3861111
smiles: C(=C(c1ccccc1)c1ccccc1)c1ccc(cc1)N(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C32H25N/c1-5-13-27(14-6-1)32(28-15-7-2-8-16-28)25-26-21-23-31(24-22-26)33(29-17-9-3-10-18-29)30-19-11-4-12-20-30/h1-25H


name: N,N'-(4-Hydroxy-1,3-phenylene)bis(4-(dodecyloxy)benzenesulphonamide)
cas: 89131-33-9
chemspiderid: 2342952
dtxsid: DTXSID10237542
formula: C42H64N2O7S2
inchikey: CSQXGPMRNVVHDI-UHFFFAOYSA-N
norman_susdat_id: NS00039308
pubchem_cid: 3086291
smiles: CCCCCCCCCCCCOc1ccc(cc1)S(=O)(=O)Nc1cc(NS(=O)(=O)c2ccc(OCCCCCCCCCCCC)cc2)c(O)cc1
inchi:
InChI=1S/C42H64N2O7S2/c1-3-5-7-9-11-13-15-17-19-21-33-50-37-24-28-39(29-25-37)52(46,47)43-36-23-32-42(45)41(35-36)44-53(48,49)40-30-26-38(27-31-40)51-34-22-20-18-16-14-12-10-8-6-4-2/h23-32,35,43-45H,3-22,33-34H2,1-2H3


name: 2-(allyloxy)ethyl 3,5-dicyano-4-[[4-[ethyl(3-methoxy-3-oxopropyl)amino]phenyl]azo]benzoate
cas: 89138-27-2
formula: C26H27N5O5
inchikey: SMYWZSKDBBOBMU-UHFFFAOYSA-N
norman_susdat_id: NS00065348
pubchem_cid: 3021405
smiles: N#CC=1C=C(C=C(C#N)C1N=NC2=CC=C(C=C2)N(CC)CCC(=O)OC)C(=O)OCCOCC=C
inchi:
InChI=1/C26H27N5O5/c1-4-12-35-13-14-36-26(33)19-15-20(17-27)25(21(16-19)18-28)30-29-22-6-8-23(9-7-22)31(5-2)11-10-24(32)34-3/h4,6-9,15-16H,1,5,10-14H2,2-3H3


name: SCH-900776
cas: 891494-63-6
dtxsid: DTXSID00237551
formula: C15H18BrN7
inchikey: GMIZZEXBPRLVIV-SECBINFHSA-N
norman_susdat_id: NS00072861
pubchem_cid: 46239015
smiles: Cn1cc(-c2cnn3c(N)c(Br)c([C@@H]4CCCNC4)nc23)cn1
inchi:
InChI=1S/C15H18BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3/t9-/m1/s1


name: 9-ß-D-arabinofuranosyl-1,9-dihydro-6H-purine-6-thione
cas: 892-49-9
formula: C10H12N4O4S
inchikey: NKGPJODWTZCHGF-UHTZMRCNSA-N
norman_susdat_id: NS00079533
smiles: OC[C@H]1O[C@H]([C@@H](O)[C@@H]1O)n2cnc3C(=S)NC=Nc23
inchi:
InChI=1/C10H12N4O4S/c15-1-4-6(16)7(17)10(18-4)14-3-13-5-8(14)11-2-12-9(5)19/h2-4,6-7,10,15-17H,1H2,(H,11,12,19)


name: Ly2334737
cas: 892128-60-8
formula: C17H25F2N3O5
inchikey: MEOYFIHNRBNEPI-UXIGCNINSA-N
norman_susdat_id: NS00072176
pubchem_cid: 11646777
smiles: CCCC(CCC)C(=O)Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)C2(F)F)c(=O)n1
inchi:
InChI=1S/C17H25F2N3O5/c1-3-5-10(6-4-2)14(25)20-12-7-8-22(16(26)21-12)15-17(18,19)13(24)11(9-23)27-15/h7-8,10-11,13,15,23-24H,3-6,9H2,1-2H3,(H,20,21,25,26)/t11-,13-,15-/m1/s1


name: 4-[3-(Perfluorobutyl)-1-propyloxy]benzylÂ alcohol
cas: 892154-51-7
chemspiderid: 17339085
dtxsid: DTXSID40583342
formula: C14H13F9O2
inchikey: FVFREHJGVAWXEQ-UHFFFAOYSA-N
norman_susdat_id: NS00019300
pubchem_cid: 16211017
smiles: OCC1=CC=C(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1
inchi:
InChI=1S/C14H13F9O2/c15-11(16,12(17,18)13(19,20)14(21,22)23)6-1-7-25-10-4-2-9(8-24)3-5-10/h2-5,24H,1,6-8H2


name: Bis[4-(1H,1H,2H,2H-perfluorodecyl)phenyl]phenylphosphine
cas: 892154-91-5
dtxsid: DTXSID60475159
formula: C38H21F34P
inchikey: GMHNZJNJORCMQJ-UHFFFAOYSA-N
norman_susdat_id: NS00110884
inchi:
InChI=1S/C38H21F34P/c39-23(40,25(43,44)27(47,48)29(51,52)31(55,56)33(59,60)35(63,64)37(67,68)69)16-14-18-6-10-21(11-7-18)73(20-4-2-1-3-5-20)22-12-8-19(9-13-22)15-17-24(41,42)26(45,46)28(49,50)30(53,54)32(57,58)34(61,62)36(65,66)38(70,71)72/h1-13H,14-17H2

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)CCC1=CC=C(C=C1)P(C1=CC=CC=C1)C1=CC=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1


name: 4-[(3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl)sulfanyl]phenol
cas: 892155-19-0
dtxsid: DTXSID10583713
formula: C14H9F13OS
inchikey: CFPZGZWDWLUKFW-UHFFFAOYSA-N
norman_susdat_id: NS00109177
smiles: OC1=CC=C(SCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1
inchi:
InChI=1S/C14H9F13OS/c15-9(16,5-6-29-8-3-1-7(28)2-4-8)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h1-4,28H,5-6H2


name: {4-[(4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-Heptadecafluoroundecyl)oxy]phenyl}methanol
cas: 892155-69-0
dtxsid: DTXSID80585047
formula: C18H13F17O2
inchikey: PCXONXLXJULKDJ-UHFFFAOYSA-N
norman_susdat_id: NS00111600
smiles: OCC1=CC=C(OCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1
inchi:
InChI=1S/C18H13F17O2/c19-11(20,6-1-7-37-10-4-2-9(8-36)3-5-10)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h2-5,36H,1,6-8H2


name: 4-[(1-oxo-3-phenylallyl)amino]benzenesulphonic acid
cas: 89217-68-5
formula: C15H13NO4S
inchikey: WRSKRHBACBNALX-IZZDOVSWSA-N
norman_susdat_id: NS00066116
pubchem_cid: 6366150
smiles: O=C(C=CC=1C=CC=CC1)NC2=CC=C(C=C2)S(=O)(=O)O
inchi:
InChI=1/C15H13NO4S/c17-15(11-6-12-4-2-1-3-5-12)16-13-7-9-14(10-8-13)21(18,19)20/h1-11H,(H,16,17)(H,18,19,20)


name: Ferimzone
cas: 89269-64-7
chebiid: CHEBI:81844
chemspiderid: 7304099
dtxsid: DTXSID1058210
formula: C15H18N4
inchikey: GOWLARCWZRESHU-AQTBWJFISA-N
norman_susdat_id: NS00022867
pubchem_cid: 9013425
smiles: CC(=NNc1nc(C)cc(C)n1)c1c(C)cccc1
inchi:
InChI=1S/C15H18N4/c1-10-7-5-6-8-14(10)13(4)18-19-15-16-11(2)9-12(3)17-15/h5-9H,1-4H3,(H,16,17,19)/b18-13+


name: M17
cas: 89270-28-0
chemspiderid: NA
formula: C25H34N2O7S1
inchikey: MFJSKKBTUFRPMK-UHFFFAOYSA-N
norman_susdat_id: NS00008641
pubchem_cid: NA
smiles: COc1cc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OS(O)(=O)=O)c(OC)c2)ccc1O
inchi:
InChI=1S/C25H34N2O7S/c1-18(2)25(17-26,20-8-10-22(24(16-20)33-5)34-35(29,30)31)12-6-13-27(3)14-11-19-7-9-21(28)23(15-19)32-4/h7-10,15-16,18,28H,6,11-14H2,1-5H3,(H,29,30,31)


name: 1-[2-(acetoxy)ethyl]-2-oxopropyl [(4-amino-2-methyl-5-pyrimidinyl)methyl]dithiocarbamate
cas: 89285-03-0
formula: C14H20N4O3S2
inchikey: KGQSETSDUBYCAU-UHFFFAOYSA-N
norman_susdat_id: NS00065350
pubchem_cid: 56843577
smiles: O=C(OCCC(SC(=S)NCC1=CN=C(N=C1N)C)C(=O)C)C
inchi:
InChI=1/C14H20N4O3S2/c1-8(19)12(4-5-21-10(3)20)23-14(22)17-7-11-6-16-9(2)18-13(11)15/h6,12H,4-5,7H2,1-3H3,(H,17,22)(H2,15,16,18)


name: 6-[2-(1h-Indol-6-Yl)ethyl]pyridin-2-Amine
cas: 892873-16-4
formula: C15H15N3
inchikey: OSHSZKRWKLQZBV-UHFFFAOYSA-N
norman_susdat_id: NS00070502
pubchem_cid: 11586735
smiles: Nc1cccc(CCc2ccc3cc[nH]c3c2)n1
inchi:
InChI=1S/C15H15N3/c16-15-3-1-2-13(18-15)7-5-11-4-6-12-8-9-17-14(12)10-11/h1-4,6,8-10,17H,5,7H2,(H2,16,18)


name: Tenylidone
cas: 893-01-6
chemspiderid: 65054
dtxsid: DTXSID2046254
formula: C16H14O1S2
inchikey: KHXBULXCCPIELT-UHFFFAOYSA-N
norman_susdat_id: NS00039320
pubchem_cid: 72068
smiles: O=C1/C(=C/c2cccs2)/CCC/C/1=Cc1cccs1
inchi:
InChI=1S/C16H14OS2/c17-16-12(10-14-6-2-8-18-14)4-1-5-13(16)11-15-7-3-9-19-15/h2-3,6-11H,1,4-5H2/b12-10+,13-11+


name: N,N''-Hexane-1,6-diylbis(N'-hexylurea)
cas: 89307-23-3
chemspiderid: 2851798
dtxsid: DTXSID80237610
formula: C20H42N4O2
inchikey: RIQWMBYGUHQQOS-UHFFFAOYSA-N
norman_susdat_id: NS00022868
pubchem_cid: 3616616
smiles: CCCCCCNC(=O)NCCCCCCNC(=O)NCCCCCC
inchi:
InChI=1S/C20H42N4O2/c1-3-5-7-11-15-21-19(25)23-17-13-9-10-14-18-24-20(26)22-16-12-8-6-4-2/h3-18H2,1-2H3,(H2,21,23,25)(H2,22,24,26)


name: (2R-trans)-2-[2,2-bis(4-fluorophenyl)-1,3-benzodioxol-5-yl]-3,4-dihydro-2H-1-benzopyran-3,5,7-triol
cas: 89329-09-9
dtxsid: DTXSID00237617
formula: C28H20F2O6
inchikey: PLNCZRAUVTYXPB-WNCULLNHSA-N
norman_susdat_id: NS00064892
pubchem_cid: 13279083
smiles: FC1=CC=C(C=C1)C2(OC3=CC=C(C=C3O2)C4OC=5C=C(O)C=C(O)C5CC4O)C6=CC=C(F)C=C6
inchi:
InChI=1/C28H20F2O6/c29-18-6-2-16(3-7-18)28(17-4-8-19(30)9-5-17)35-24-10-1-15(11-26(24)36-28)27-23(33)14-21-22(32)12-20(31)13-25(21)34-27/h1-13,23,27,31-33H,14H2


name: (2R-trans)-3,4-dihydro-2-spiro[1,3-benzodioxole-2,9'-[9H]fluoren]-5-yl-2H-1-benzopyran-3,5,7-triol
cas: 89329-10-2
dtxsid: DTXSID201008752
formula: C28H20O6
inchikey: ZOSNYNDCXWZWPF-WNCULLNHSA-N
norman_susdat_id: NS00064893
pubchem_cid: 13279098
smiles: OC=1C=C(O)C2=C(OC(C3=CC=C4OC5(OC4=C3)C=6C=CC=CC6C=7C=CC=CC75)C(O)C2)C1
inchi:
InChI=1/C28H20O6/c29-16-12-22(30)19-14-23(31)27(32-25(19)13-16)15-9-10-24-26(11-15)34-28(33-24)20-7-3-1-5-17(20)18-6-2-4-8-21(18)28/h1-13,23,27,29-31H,14H2


cas: 89329-11-3
chemspiderid: 21165332
dtxsid: DTXSID60237618
formula: C32H26O10
inchikey: LFPLGZNEEHJDAC-JTSJOTPCSA-N
norman_susdat_id: NS00039322
pubchem_cid: 13279085
smiles: CC(=O)Oc1ccc(cc1)C1(Oc2c(O1)cc(cc2)C1Oc2cc(O)cc(O)c2CC1O)c1ccc(OC(=O)C)cc1
name:
(2R-trans)-2-(2,2-Bis(4-(acetoxy)phenyl)-1,3-benzodioxol-5-yl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

inchi:
InChI=1S/C32H26O10/c1-17(33)38-23-8-4-20(5-9-23)32(21-6-10-24(11-7-21)39-18(2)34)41-28-12-3-19(13-30(28)42-32)31-27(37)16-25-26(36)14-22(35)15-29(25)40-31/h3-15,27,31,35-37H,16H2,1-2H3/t27-,31+/m0/s1


cas: 89329-12-4
chemspiderid: 21165333
dtxsid: DTXSID20237619
formula: C28H21N1O8
inchikey: TZIOWTSBLLCTJO-QFIHXRDCSA-N
norman_susdat_id: NS00039323
pubchem_cid: 13279087
smiles: OC1Cc2c(O)cc(O)cc2OC1c1cc2c(OC(O2)(c2ccccc2)c2ccc(cc2)[N+](=O)[O-])cc1
name:
(2R-trans)-3,4-Dihydro-2-(2-(4-nitrophenyl)-2-phenyl-1,3-benzodioxol-5-yl)-2H-1-benzopyran-3,5,7-triol

inchi:
InChI=1S/C28H21NO8/c30-20-13-22(31)21-15-23(32)27(35-25(21)14-20)16-6-11-24-26(12-16)37-28(36-24,17-4-2-1-3-5-17)18-7-9-19(10-8-18)29(33)34/h1-14,23,27,30-32H,15H2/t23-,27+,28+/m1/s1


name: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one-6'-(dibutylamino)-3'-methyl-2'-(phenylamino)-
cas: 89331-94-2
chemspiderid: 2773193
dtxsid: DTXSID3029817
formula: C35H36N2O3
inchikey: XAAILNNJDMIMON-UHFFFAOYNA-N
norman_susdat_id: NS00019924
pubchem_cid: NA
smiles: CCCCN(CCCC)c1ccc2c(Oc3cc(C)c(Nc4ccccc4)cc3C32OC(=O)c2ccccc32)c1
inchi:
InChI=1S/C35H36N2O3/c1-4-6-19-37(20-7-5-2)26-17-18-29-33(22-26)39-32-21-24(3)31(36-25-13-9-8-10-14-25)23-30(32)35(29)28-16-12-11-15-27(28)34(38)40-35/h8-18,21-23,36H,4-7,19-20H2,1-3H3/t35-/m0/s1


name: 1,3,4-Thiadiazole, 2,5-bis(tert-nonyldithio)-
cas: 89347-09-1
chemspiderid: 17215538
dtxsid: DTXSID9029063
formula: C20H38N2S5
inchikey: RHKLIWUUEYGKQK-UHFFFAOYSA-N
norman_susdat_id: NS00019397
pubchem_cid: 22833380
smiles: CCCCCC(C)(C)CSSc1nnc(SSCC(C)(C)CCCCC)s1
inchi:
InChI=1S/C20H38N2S5/c1-7-9-11-13-19(3,4)15-23-26-17-21-22-18(25-17)27-24-16-20(5,6)14-12-10-8-2/h7-16H2,1-6H3


name: 4,4'-(Dichloromethylene)bisphenyl diacetate
cas: 89347-16-0
chemspiderid: 14992618
dtxsid: DTXSID70237624
formula: C17H14Cl2O4
inchikey: OMKRDBYMAHIWNV-UHFFFAOYSA-N
norman_susdat_id: NS00039324
pubchem_cid: 20401922
smiles: CC(=O)Oc1ccc(cc1)C(Cl)(Cl)c1ccc(OC(=O)C)cc1
inchi:
InChI=1S/C17H14Cl2O4/c1-11(20)22-15-7-3-13(4-8-15)17(18,19)14-5-9-16(10-6-14)23-12(2)21/h3-10H,1-2H3


name: Salmeterol
cas: 89365-50-4
chebiid: CHEBI:64064
chemspiderid: 4968
dtxsid: DTXSID6023571
formula: C25H37N1O4
inchikey: GIIZNNXWQWCKIB-UHFFFAOYSA-N
norman_susdat_id: NS00010340
pubchem_cid: 5152
smiles: c1ccc(cc1)CCCCOCCCCCCNCC(c2ccc(c(c2)CO)O)O
inchi:
InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2


name: Ethyl 2-((2-((methylsulphonyl)amino)benzoyl)amino)benzoate
cas: 89369-45-9
chemspiderid: 1063732
dtxsid: DTXSID60237633
formula: C17H18N2O5S1
inchikey: MHDUPYHBAPIONE-UHFFFAOYSA-N
norman_susdat_id: NS00039325
pubchem_cid: 1266830
smiles: CCOC(=O)c1c(NC(=O)c2c(NS(=O)(=O)C)cccc2)cccc1
inchi:
InChI=1S/C17H18N2O5S/c1-3-24-17(21)13-9-5-6-10-14(13)18-16(20)12-8-4-7-11-15(12)19-25(2,22)23/h4-11,19H,3H2,1-2H3,(H,18,20)


name: Imidapril
cas: 89371-37-9
chebiid: CHEBI:135654
chemspiderid: 4576628
dtxsid: DTXSID2048242
formula: C20H27N3O6
inchikey: KLZWOWYOHUKJIG-BPUTZDHNSA-N
norman_susdat_id: NS00007217
pubchem_cid: 40466903
smiles: CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@@H](CN(C)C1=O)C(O)=O
inchi:
InChI=1S/C20H27N3O6/c1-4-29-19(27)15(11-10-14-8-6-5-7-9-14)21-13(2)17(24)23-16(18(25)26)12-22(3)20(23)28/h5-9,13,15-16,21H,4,10-12H2,1-3H3,(H,25,26)/t13-,15-,16-/m0/s1


name: (Perfluorooctyl)propanoyl chloride
cas: 89373-67-1
chemspiderid: 9039422
dtxsid: DTXSID90446276
formula: C11H4Cl1F17O1
inchikey: QYLZAPXXSYDKKB-UHFFFAOYSA-N
norman_susdat_id: NS00019302
pubchem_cid: 10864135
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC(Cl)=O
inchi:
InChI=1S/C11H4ClF17O/c12-3(30)1-2-4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)11(27,28)29/h1-2H2


name: Carbamic acid, N-(4,6-dimethoxy-2-pyrimidinyl)-, phenyl ester
cas: 89392-03-0
chemspiderid: 9120893
dtxsid: DTXSID10888694
formula: C13H13N3O4
inchikey: MESPVSMSORHLAX-UHFFFAOYSA-N
norman_susdat_id: NS00003451
pubchem_cid: 10945667
smiles: COc1cc(OC)nc(NC(=O)Oc2ccccc2)n1
inchi:
InChI=1S/C13H13N3O4/c1-18-10-8-11(19-2)15-12(14-10)16-13(17)20-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15,16,17)


name: N-(3-Aminopropyl)stearamide, N-(3-(stearoylamino)propyl) derivative
cas: 89394-72-9
chemspiderid: 34996479
dtxsid: DTXSID40237636
formula: C42H85N3O2
inchikey: DLGIIVIYELBMDJ-UHFFFAOYSA-N
norman_susdat_id: NS00039327
pubchem_cid: 56843782
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCCN(CCCN)C(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C42H85N3O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-41(46)44-38-34-40-45(39-33-37-43)42(47)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40,43H2,1-2H3,(H,44,46)


name: 1-[(4-chlorophenyl)benzyl]piperazinium chloride
cas: 894-56-4
formula: C17H19ClN2
inchikey: FHRKBDUKXOMPMW-UHFFFAOYSA-N
norman_susdat_id: NS00041952
pubchem_cid: 17834423
smiles: [Cl-].ClC1=CC=C(C=C1)C=2C=CC=CC2C[NH+]3CCNCC3
inchi:
InChI=1/C17H19ClN2.ClH/c18-16-7-5-14(6-8-16)17-4-2-1-3-15(17)13-20-11-9-19-10-12-20;/h1-8,19H,9-13H2;1H


name: Nortriptyline hydrochloride
cas: 894-71-3
chebiid: CHEBI:7641
dtxsid: DTXSID2045109
formula: C19H22ClN
inchikey: SHAYBENGXDALFF-UHFFFAOYSA-N
norman_susdat_id: NS00076235
smiles: Cl.CNCCC=C1C2=C(CCC3=C1C=CC=C3)C=CC=C2
inchi:
InChI=1S/C19H21N.ClH/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19;/h2-5,7-11,20H,6,12-14H2,1H3;1H


name: 7-Aminodesmethylflunitrazepam
cas: 894-76-8
chemspiderid: 141082
dtxsid: DTXSID90237641
formula: C15H12F1N3O1
inchikey: IWZVUERQZJRRPL-UHFFFAOYSA-N
norman_susdat_id: NS00001184
pubchem_cid: 160551
smiles: Nc1ccc2NC(=O)CN=C(c3ccccc3F)c2c1
inchi:
InChI=1S/C15H12FN3O/c16-12-4-2-1-3-10(12)15-11-7-9(17)5-6-13(11)19-14(20)8-18-15/h1-7H,8,17H2,(H,19,20)


name: Disodium [2,2'-bi-1H-indole]-3,3'-diolate
cas: 894-86-0
dtxsid: DTXSID3061269
formula: C16H10N2O2
inchikey: BXCVMYVBSBSDGY-UHFFFAOYSA-L
norman_susdat_id: NS00041944
pubchem_cid: NA
smiles: [Na+].[Na+].[O-]C=1C(N=C2C=CC=CC21)=C3N=C4C=CC=CC4=C3[O-]
inchi:
InChI=1/C16H10N2O2.2Na/c19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14;;/h1-8,19-20H;;/q;2*+1/p-2


name: 9-Deazainosine
cas: 89458-19-5
dtxsid: DTXSID90237727
formula: C11H13N3O5
inchikey: WKDMPDYUJKSXBW-KBHCAIDQSA-N
norman_susdat_id: NS00072992
smiles: O=c1[nH]cnc2c([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12
inchi:
InChI=1S/C11H13N3O5/c15-2-5-8(16)9(17)10(19-5)4-1-12-7-6(4)13-3-14-11(7)18/h1,3,5,8-10,12,15-17H,2H2,(H,13,14,18)/t5-,8-,9-,10+/m1/s1


name: N-(2'-(Dimethylamino)ethyl)acridine-4-carboxamide
cas: 89459-25-6
dtxsid: DTXSID60237739
formula: C18H19N3O
inchikey: XBGNERSKEKDZDS-UHFFFAOYSA-N
norman_susdat_id: NS00069196
pubchem_cid: 107805
smiles: CN(C)CCNC(=O)c1cccc2cc3ccccc3nc12
inchi:
InChI=1S/C18H19N3O/c1-21(2)11-10-19-18(22)15-8-5-7-14-12-13-6-3-4-9-16(13)20-17(14)15/h3-9,12H,10-11H2,1-2H3,(H,19,22)


name: Aminacrine
cas: 89459-44-9
dtxsid: DTXSID90237742
formula: C19H22N4O
inchikey: VNWAULKXOPRJEL-UHFFFAOYSA-N
norman_susdat_id: NS00070122
pubchem_cid: 150238
smiles: CN(C)CCCNC(=O)c1cccc2c(N)c3ccccc3nc12
inchi:
InChI=1S/C19H22N4O/c1-23(2)12-6-11-21-19(24)15-9-5-8-14-17(20)13-7-3-4-10-16(13)22-18(14)15/h3-5,7-10H,6,11-12H2,1-2H3,(H2,20,22)(H,21,24)


cas: 89504-75-6
formula: C34H30N8O14S4
inchikey: SJKCTFXYPDUNNP-UHFFFAOYSA-J
norman_susdat_id: NS00064895
pubchem_cid: 57355534
name:
Tetrasodium 4,4'-bis[[4,5-dihydro-3-methyl-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]azo]-5,5'-dimethyl[1,1'-biphenyl]-2,2'-disulphonate

inchi:
InChI=1/C34H30N8O14S4.4Na/c1-17-13-25(29(59(51,52)53)15-27(17)35-37-31-19(3)39-41(33(31)43)21-5-9-23(10-6-21)57(45,46)47)26-14-18(2)28(16-30(26)60(54,55)56)36-38-32-20(4)40-42(34(32)44)22-7-11-24(12-8-22)58(48,49)50;;;;/h5-16,31-32H,1-4H3,(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C1N(N=C(C)C1N=NC=2C=C(C(=CC2C)C3=CC(=C(N=NC4C(=O)N(N=C4C)C5=CC=C(C=C5)S(=O)(=O)[O-])C=C3S(=O)(=O)[O-])C)S(=O)(=O)[O-])C6=CC=C(C=C6)S(=O)(=O)[O-]


name: AB-005
cas: 895155-25-6
chemspiderid: 9712433
formula: C23H32N2O1
inchikey: MOBWRRIAIHYXLB-UHFFFAOYSA-N
norman_susdat_id: NS00017427
pubchem_cid: 11537652
smiles: CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CC4CCCCN4C)C
inchi:
InChI=1S/C23H32N2O/c1-22(2)21(23(22,3)4)20(26)18-15-25(19-12-7-6-11-17(18)19)14-16-10-8-9-13-24(16)5/h6-7,11-12,15-16,21H,8-10,13-14H2,1-5H3


name: A-796260
cas: 895155-26-7
chemspiderid: 9759290
formula: C22H30N2O2
inchikey: ZCFHOMLAFTWDFM-UHFFFAOYSA-N
norman_susdat_id: NS00017551
pubchem_cid: 11584525
smiles: CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CCN4CCOCC4)C
inchi:
InChI=1S/C22H30N2O2/c1-21(2)20(22(21,3)4)19(25)17-15-24(18-8-6-5-7-16(17)18)10-9-23-11-13-26-14-12-23/h5-8,15,20H,9-14H2,1-4H3


name: {1-[(Oxan-4-yl)methyl]-1H-indol-3-yl}(2,2,3,3-tetramethylcyclopropyl)methanone
cas: 895155-57-4
chemspiderid: 9719418
dtxsid: DTXSID60468349
formula: C22H29N1O2
inchikey: NQTMRZNYLIGQCF-UHFFFAOYSA-N
norman_susdat_id: NS00017616
pubchem_cid: 11544639
smiles: CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CC4CCOCC4)C
inchi:
InChI=1S/C22H29NO2/c1-21(2)20(22(21,3)4)19(24)17-14-23(13-15-9-11-25-12-10-15)18-8-6-5-7-16(17)18/h5-8,14-15,20H,9-13H2,1-4H3


name: XLR12
cas: 895155-78-9
chemspiderid: 9734160
formula: C20H24F3N1O1
inchikey: PEXYKZYTXIEEOB-UHFFFAOYSA-N
norman_susdat_id: NS00017662
pubchem_cid: 11559386
smiles: CC1(C(C1(C)C)C(=O)C2=CN(C3=CC=CC=C32)CCCC(F)(F)F)C
inchi:
InChI=1S/C20H24F3NO/c1-18(2)17(19(18,3)4)16(25)14-12-24(11-7-10-20(21,22)23)15-9-6-5-8-13(14)15/h5-6,8-9,12,17H,7,10-11H2,1-4H3


name: Flumatinib
cas: 895519-90-1
dtxsid: DTXSID60237779
formula: C29H29F3N8O
inchikey: BJCJYEYYYGBROF-UHFFFAOYSA-N
norman_susdat_id: NS00072911
smiles: Cc1ncc(NC(=O)c2ccc(CN3CCN(C)CC3)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1
inchi:
InChI=1S/C29H29F3N8O/c1-19-26(38-28-34-9-7-25(37-28)21-4-3-8-33-16-21)15-23(17-35-19)36-27(41)20-5-6-22(24(14-20)29(30,31)32)18-40-12-10-39(2)11-13-40/h3-9,14-17H,10-13,18H2,1-2H3,(H,36,41)(H,34,37,38)


cas: 895525-76-5
chemspiderid: NA
formula: C20H15Cl1F6N2O5
inchikey: OJDVSCNYYIJNDZ-UHFFFAOYSA-N
norman_susdat_id: NS00003259
pubchem_cid: NA
smiles: COC(=O)C(CNC(=O)c1ccccc1C(F)(F)F)(C(=O)OC)c1ncc(cc1Cl)C(F)(F)F
name:
dimethyl [3-chloro-5-(trifluoromethyl)pyridin-2-yl]({[2-(trifluoromethyl)benzoyl]amino}methyl)malonate

inchi:
InChI=1S/C20H15ClF6N2O5/c1-33-16(31)18(17(32)34-2,14-13(21)7-10(8-28-14)19(22,23)24)9-29-15(30)11-5-3-4-6-12(11)20(25,26)27/h3-8H,9H2,1-2H3,(H,29,30)


cas: 895533-09-2
formula: C33H38N8O4S
inchikey: MAFACRSJGNJHCF-UHFFFAOYSA-N
norman_susdat_id: NS00073470
pubchem_cid: 44467821
smiles: COc1ccc(C)cc1NC(=O)Nc1nc2ccc(Nc3ncnc4cc(OCCCN5CCN(C)CC5)c(OC)cc34)cc2s1
name:
1-(2-methoxy-5-methylphenyl)-3-[6-({6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl}amino)-1,3-benzothiazol-2-yl]urea

inchi:
InChI=1S/C33H38N8O4S/c1-21-6-9-27(43-3)26(16-21)37-32(42)39-33-38-24-8-7-22(17-30(24)46-33)36-31-23-18-28(44-4)29(19-25(23)34-20-35-31)45-15-5-10-41-13-11-40(2)12-14-41/h6-9,16-20H,5,10-15H2,1-4H3,(H,34,35,36)(H2,37,38,39,42)


name: Trifarotene
cas: 895542-09-3
dtxsid: DTXSID30237781
formula: C29H33NO4
inchikey: MFBCDACCJCDGBA-UHFFFAOYSA-N
norman_susdat_id: NS00073363
smiles: CC(C)(C)c1cc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2OCCO)ccc1N1CCCC1
inchi:
InChI=1S/C29H33NO4/c1-29(2,3)25-19-23(10-12-26(25)30-14-4-5-15-30)24-18-22(11-13-27(24)34-17-16-31)20-6-8-21(9-7-20)28(32)33/h6-13,18-19,31H,4-5,14-17H2,1-3H3,(H,32,33)


name: Oleic acid, compound with tributylamine (1:1)
cas: 89560-81-6
formula: C18H34O2.C12H27N
inchikey: PHFYGNBGKAPJBV-KVVVOXFISA-N
norman_susdat_id: NS00092380
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.CCCCN(CCCC)CCCC
inchi:
InChI=1/C18H34O2.C12H27N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-4-7-10-13(11-8-5-2)12-9-6-3/h9-10H,2-8,11-17H2,1H3,(H,19,20);4-12H2,1-3H3


name: Tropisetron
cas: 89565-68-4
chebiid: CHEBI:94647
chemspiderid: 571010
dtxsid: DTXSID2044137
formula: C17H20N2O2
inchikey: ZNRGQMMCGHDTEI-FUNVUKJBSA-N
norman_susdat_id: NS00006001
pubchem_cid: 656665
smiles: CN1[C@H]2CC[C@@H]1CC(C2)OC(=O)c1c[nH]c2ccccc12
inchi:
InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13?


name: Dihydroxytriphenylantimony
cas: 896-29-7
formula: C18H17O2Sb
inchikey: HHIOPTIWLTZAEF-UHFFFAOYSA-L
norman_susdat_id: NS00079534
smiles: O[Sb](O)(c1ccccc1)(c2ccccc2)c3ccccc3
inchi:
InChI=1/3C6H5.2H2O.Sb/c3*1-2-4-6-5-3-1;;;/h3*1-5H;2*1H2;/q;;;;;+2/p-2/rC18H17O2Sb/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15,19-20H


name: 14-(2,4-dichloro-5-methylphenoxy)-3,6,9,12-tetraoxatetradecan-1-ol
cas: 89636-94-2
dtxsid: DTXSID601008904
formula: C17H26Cl2O6
inchikey: YVLPQTXZSBBSHF-UHFFFAOYSA-N
norman_susdat_id: NS00064897
pubchem_cid: 158965
smiles: ClC=1C=C(Cl)C(=CC1OCCOCCOCCOCCOCCO)C
inchi:
InChI=1/C17H26Cl2O6/c1-14-12-17(16(19)13-15(14)18)25-11-10-24-9-8-23-7-6-22-5-4-21-3-2-20/h12-13,20H,2-11H2,1H3


name: At9283
cas: 896466-04-9
formula: C19H23N7O2
inchikey: LOLPPWBBNUVNQZ-UHFFFAOYSA-N
norman_susdat_id: NS00072317
smiles: O=C(Nc1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1)NC1CC1
inchi:
InChI=1S/C19H23N7O2/c27-19(21-13-2-3-13)24-16-10-20-25-17(16)18-22-14-4-1-12(9-15(14)23-18)11-26-5-7-28-8-6-26/h1,4,9-10,13H,2-3,5-8,11H2,(H,20,25)(H,22,23)(H2,21,24,27)


name: 3-[[4-(pentyloxy)phenyl]methylene]phthalide
cas: 89673-52-9
formula: C20H20O3
inchikey: UEZGZBJAHOFZAQ-UHFFFAOYSA-N
norman_susdat_id: NS00065352
pubchem_cid: 54349890
smiles: O=C1OC(=CC2=CC=C(OCCCCC)C=C2)C=3C=CC=CC13
inchi:
InChI=1/C20H20O3/c1-2-3-6-13-22-16-11-9-15(10-12-16)14-19-17-7-4-5-8-18(17)20(21)23-19/h4-5,7-12,14H,2-3,6,13H2,1H3


name: 3-[Ethyl(perfluoro-1-oxooctyl)amino]-1-propanesulfonic acid sodium salt
cas: 89685-61-0
dtxsid: DTXSID30893301
formula: C13H11F15NNaO4S
inchikey: RXJIIPMAZRURMG-UHFFFAOYSA-M
norman_susdat_id: NS00109991
smiles: [Na+].CCN(CCCS([O-])(=O)=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/C13H12F15NO4S.Na/c1-2-29(4-3-5-34(31,32)33)6(30)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)12(24,25)13(26,27)28;/h2-5H2,1H3,(H,31,32,33);/q;+1/p-1


name: Androsta-1,4-diene-3,17-dione
cas: 897-06-3
chemspiderid: 2107
dtxsid: DTXSID00862463
formula: C19H24O2
inchikey: LUJVUUWNAPIQQI-UHFFFAOYSA-N
norman_susdat_id: NS00008175
pubchem_cid: 2192
smiles: CC12CCC3C(CCC4=CC(=O)C=CC34C)C1CCC2=O
inchi:
InChI=1S/C19H24O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h7,9,11,14-16H,3-6,8,10H2,1-2H3


name: Dothiepin hydrochloride
cas: 897-15-4
chebiid: CHEBI:31519
dtxsid: DTXSID7047778
formula: C19H22ClNS
inchikey: XUPZAARQDNSRJB-UHFFFAOYSA-N
norman_susdat_id: NS00076396
smiles: Cl.CN(C)CCC=C1C2=C(CSC3=C1C=CC=C3)C=CC=C2
inchi:
InChI=1S/C19H21NS.ClH/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19;/h3-6,8-12H,7,13-14H2,1-2H3;1H


name: 2,6-dibenzylidenecyclohexan-1-one
cas: 897-78-9
formula: C20H18O
inchikey: CTKKGXDAWIAYSA-UHFFFAOYSA-N
norman_susdat_id: NS00042401
pubchem_cid: 95336
smiles: O=C1C(=CC=2C=CC=CC2)CCCC1=CC=3C=CC=CC3
inchi:
InChI=1/C20H18O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,14-15H,7,12-13H2


name: KX-01
cas: 897016-82-9
dtxsid: DTXSID30237862
formula: C26H29N3O3
inchikey: HUNGUWOZPQBXGX-UHFFFAOYSA-N
norman_susdat_id: NS00072513
pubchem_cid: 23635314
smiles: O=C(Cc1ccc(-c2ccc(OCCN3CCOCC3)cc2)cn1)NCc1ccccc1
inchi:
InChI=1S/C26H29N3O3/c30-26(28-19-21-4-2-1-3-5-21)18-24-9-6-23(20-27-24)22-7-10-25(11-8-22)32-17-14-29-12-15-31-16-13-29/h1-11,20H,12-19H2,(H,28,30)


name: Bis[(carboxymethyl)trimethylammonium] adipate
cas: 89713-95-1
formula: C6H8O4.2C5H12NO2
inchikey: YHWGCHQULBISHJ-UHFFFAOYSA-N
norman_susdat_id: NS00092381
smiles: C[N+](C)(C)CC(=O)O.C[N+](C)(C)CC(=O)O.[O-]C(=O)CCCCC(=O)[O-]
inchi:
InChI=1/C6H10O4.2C5H11NO2/c7-5(8)3-1-2-4-6(9)10;2*1-6(2,3)4-5(7)8/h1-4H2,(H,7,8)(H,9,10);2*4H2,1-3H3


name: 2-Methoxy-N'-[4-(trifluoromethyl)pyridin-2-yl]benzohydrazide
cas: 89728-59-6
formula: C14H12F3N3O2
inchikey: GHLXYRMPNVWKCI-UHFFFAOYSA-N
norman_susdat_id: NS00096909
smiles: COC1=CC=CC=C1C(=O)NNC2=NC=CC(=C2)C(F)(F)F
inchi:
InChI=1S/C14H12F3N3O2/c1-22-11-5-3-2-4-10(11)13(21)20-19-12-8-9(6-7-18-12)14(15,16)17/h2-8H,1H3,(H,18,19)(H,20,21)


name: Nonanedioic acid, 1,9-bis(2-octyldodecyl) ester
cas: 897626-46-9
chemspiderid: 23353547
dtxsid: DTXSID40889235
formula: C49H96O4
inchikey: NSYFALGTRQFICU-UHFFFAOYSA-N
norman_susdat_id: NS00009923
pubchem_cid: 92035452
smiles: CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC
inchi:
InChI=1S/C49H96O4/c1-5-9-13-17-21-23-28-34-40-46(38-32-26-19-15-11-7-3)44-52-48(50)42-36-30-25-31-37-43-49(51)53-45-47(39-33-27-20-16-12-8-4)41-35-29-24-22-18-14-10-6-2/h46-47H,5-45H2,1-4H3


cas: 89766-86-9
dtxsid: DTXSID501008963
formula: C10H12N4O6S2
inchikey: IUJIIGDQUMEJDT-XMLTWROESA-M
norman_susdat_id: NS00064898
pubchem_cid: NA
smiles: [K+].O=CNC1=NC(=CS1)CC(=O)NC2C(=O)N(C2C)S(=O)(=O)[O-]
name:
Potassium (2S-trans)-3-[[[2-(formylamino)thiazol-4-yl]acetyl]amino]-2-methyl-4-oxoazetidine-1-sulphonate

inchi:
InChI=1/C10H12N4O6S2.K/c1-5-8(9(17)14(5)22(18,19)20)13-7(16)2-6-3-21-10(12-6)11-4-15;/h3-5,8H,2H2,1H3,(H,13,16)(H,11,12,15)(H,18,19,20);/q;+1/p-1


name: ADP-597
cas: 897732-93-3
dtxsid: DTXSID10237885
formula: C21H29N5O6S
inchikey: WPDCHTSXOPUOII-UHFFFAOYSA-N
norman_susdat_id: NS00072236
smiles: COc1c(Nc2ccc(S(C)(=O)=O)nc2C)ncnc1OC1CCN(C(=O)OC(C)C)CC1
inchi:
InChI=1S/C21H29N5O6S/c1-13(2)31-21(27)26-10-8-15(9-11-26)32-20-18(30-4)19(22-12-23-20)25-16-6-7-17(24-14(16)3)33(5,28)29/h6-7,12-13,15H,8-11H2,1-5H3,(H,22,23,25)


name: Toremifene
cas: 89778-26-7
chebiid: CHEBI:9635
chemspiderid: 2275722
dtxsid: DTXSID3023689
formula: C26H28Cl1N1O1
inchikey: XFCLJVABOIYOMF-QPLCGJKRSA-N
norman_susdat_id: NS00002900
pubchem_cid: 3005573
smiles: CN(C)CCOc1ccc(cc1)C(=C(CCCl)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C26H28ClNO/c1-28(2)19-20-29-24-15-13-23(14-16-24)26(22-11-7-4-8-12-22)25(17-18-27)21-9-5-3-6-10-21/h3-16H,17-20H2,1-2H3/b26-25-


name: 5-(Perfluorooctyl)-1,3-bis(bis(trifluoromethyl)hydroxymethyl)benzene
cas: 89780-02-9
dtxsid: DTXSID60897534
formula: C20H5F29O2
inchikey: DSFNQPNFWJQALF-UHFFFAOYSA-N
norman_susdat_id: NS00111178
inchi:
InChI=1S/C20H5F29O2/c21-9(22,10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)20(47,48)49)6-2-4(7(50,16(35,36)37)17(38,39)40)1-5(3-6)8(51,18(41,42)43)19(44,45)46/h1-3,50-51H

smiles:
OC(C1=CC(=CC(=C1)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)C(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F


name: Ethyl 2-((5,6-dihydro-7-(1H-imidazol-1-yl)-2-naphthalenyl)oxy)-2-methylpropanoate
cas: 89781-84-0
chemspiderid: 16617374
dtxsid: DTXSID00237894
formula: C19H31N5O10
inchikey: VGUYHHRYNLVQAV-DMZJWBPISA-N
norman_susdat_id: NS00005109
pubchem_cid: NA
smiles: CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](N)CCC(O)=O)C(=O)N[C@@H](CC(N)=O)C(O)=O
inchi:
InChI=1S/C19H31N5O10/c1-3-8(2)15(18(32)23-11(19(33)34)6-12(21)25)24-17(31)10(7-14(28)29)22-16(30)9(20)4-5-13(26)27/h8-11,15H,3-7,20H2,1-2H3,(H2,21,25)(H,22,30)(H,23,32)(H,24,31)(H,26,27)(H,28,29)(H,33,34)/t8-,9-,10-,11-,15-/m0/s1


name: 9,10-dihydroxy-5-methoxy-2H-pyrano[2,3,4-kl]xanthen-2-one
cas: 89783-74-4
dtxsid: DTXSID801008974
formula: C16H10O6
inchikey: KOCNWAKMXCTCIO-UHFFFAOYSA-N
norman_susdat_id: NS00066146
pubchem_cid: NA
smiles: O=C1OC2=CC(OC)=CC=3OC=4C=C(O)C(O)=CC4C(=C1)C23
inchi:
InChI=1/C16H10O6/c1-20-7-2-13-16-9(5-15(19)22-14(16)3-7)8-4-10(17)11(18)6-12(8)21-13/h2-6,17-18H,1H3


name: Pyraclofos
cas: 89784-60-1
chebiid: CHEBI:38876
chemspiderid: 84364
dtxsid: DTXSID4058493
formula: C14H18Cl1N2O3P1S1
inchikey: QHGVXILFMXYDRS-UHFFFAOYSA-N
norman_susdat_id: NS00005916
pubchem_cid: 93460
smiles: CCCSP(=O)(OCC)Oc1cnn(c1)-c1ccc(Cl)cc1
inchi:
InChI=1S/C14H18ClN2O3PS/c1-3-9-22-21(18,19-4-2)20-14-10-16-17(11-14)13-7-5-12(15)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3


name: Tazobactam
cas: 89786-04-9
chebiid: CHEBI:9421
chemspiderid: 110216
dtxsid: DTXSID8023634
formula: C10H12N4O5S1
inchikey: LPQZKKCYTLCDGQ-WEDXCCLWSA-N
norman_susdat_id: NS00006778
pubchem_cid: 123630
smiles: C[C@]1(Cn2ccnn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
inchi:
InChI=1S/C10H12N4O5S/c1-10(5-13-3-2-11-12-13)8(9(16)17)14-6(15)4-7(14)20(10,18)19/h2-3,7-8H,4-5H2,1H3,(H,16,17)/t7-,8+,10+/m1/s1


name: Pf-3758309
cas: 898044-15-0
chebiid: CHEBI:93751
dtxsid: DTXSID70649389
formula: C25H30N8OS
inchikey: AYCPARAPKDAOEN-LJQANCHMSA-N
norman_susdat_id: NS00072558
pubchem_cid: 25227462
smiles: Cc1nc(Nc2[nH]nc3c2CN(C(=O)N[C@H](CN(C)C)c2ccccc2)C3(C)C)c2sccc2n1
inchi:
InChI=1S/C25H30N8OS/c1-15-26-18-11-12-35-20(18)23(27-15)29-22-17-13-33(25(2,3)21(17)30-31-22)24(34)28-19(14-32(4)5)16-9-7-6-8-10-16/h6-12,19H,13-14H2,1-5H3,(H,28,34)(H2,26,27,29,30,31)/t19-/m1/s1


name: Sodium 4-[(4-aminophenyl)azo]benzoate
cas: 89835-07-4
formula: C13H11N3O2.Na
inchikey: JZNZMGCDZWJGLX-UHFFFAOYSA-M
norman_susdat_id: NS00092396
smiles: [Na+].[O-]C(=O)c2ccc(N=Nc1ccc(N)cc1)cc2
inchi:
InChI=1/C13H11N3O2.Na/c14-10-3-7-12(8-4-10)16-15-11-5-1-9(2-6-11)13(17)18;/h1-8H,14H2,(H,17,18);/q;+1/p-1


name: Luseogliflozin
cas: 898537-18-3
chebiid: CHEBI:134725
dtxsid: DTXSID10237921
formula: C23H30O6S
inchikey: WHSOLWOTCHFFBK-ZQGJOIPISA-N
norman_susdat_id: NS00072606
pubchem_cid: 11988953
smiles: CCOc1ccc(Cc2cc([C@@H]3S[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(OC)cc2C)cc1
inchi:
InChI=1S/C23H30O6S/c1-4-29-16-7-5-14(6-8-16)10-15-11-17(18(28-3)9-13(15)2)23-22(27)21(26)20(25)19(12-24)30-23/h5-9,11,19-27H,4,10,12H2,1-3H3/t19-,20-,21+,22-,23+/m1/s1


cas: 89888-64-2
dtxsid: DTXSID501009030
formula: C16H26O5
inchikey: PEKUEEVJHLWEGH-AHMZDQRSSA-N
norman_susdat_id: NS00065354
pubchem_cid: NA
smiles: OCC1OC2(OC1)CC3CC(OC4OCCCC4)CC3C2
name:
(3'aa,4'a,5'ß,6'aa)-hexahydro-5'-[(tetrahydro-2H-pyran-2-yl)oxy]spiro[1,3-dioxolane-2,2'(1'H)-pentalene]-4-methanol

inchi:
InChI=1/C16H26O5/c17-9-14-10-19-16(21-14)7-11-5-13(6-12(11)8-16)20-15-3-1-2-4-18-15/h11-15,17H,1-10H2


name: (2E)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Pentadecafluorodec-2-ene
cas: 89889-22-5
dtxsid: DTXSID60896668
formula: C10H5F15
inchikey: MIEYGLYKERILQG-NSCUHMNNSA-N
norman_susdat_id: NS00111149
smiles: CC=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10H5F15/c1-2-3-4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)25/h2-3H,1H3/b3-2+


name: 2-[2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-2-methylcyclopentane-1,3-dione
cas: 899-79-6
chemspiderid: 4524649
dtxsid: DTXSID50345438
formula: C19H22O3
inchikey: PHYRXYUDHILFBN-UHFFFAOYSA-N
norman_susdat_id: NS00001797
pubchem_cid: 604515
smiles: COc1ccc2C(CCCc2c1)=CCC1(C)C(=O)CCC1=O
inchi:
InChI=1S/C19H22O3/c1-19(17(20)8-9-18(19)21)11-10-13-4-3-5-14-12-15(22-2)6-7-16(13)14/h6-7,10,12H,3-5,8-9,11H2,1-2H3


cas: 89923-42-2
formula: C26H18Cl3N9O12S3.4Na
inchikey: PBBABYGTFMOYLX-UHFFFAOYSA-J
norman_susdat_id: NS00092397
name:
Tetrasodium 2-[[4-chloro-6-[[3-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]-4-sulphonatophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulphonatobenzoate

inchi:
InChI=1/C26H18Cl3N9O12S3.4Na/c1-10-21(22(39)38(37-10)18-8-15(28)20(9-14(18)27)53(48,49)50)36-35-17-6-11(2-5-19(17)52(45,46)47)30-25-32-24(29)33-26(34-25)31-16-4-3-12(51(42,43)44)7-13(16)23(40)41;;;;/h2-9,21H,1H3,(H,40,41)(H,42,43,44)(H,45,46,47)(H,48,49,50)(H2,30,31,32,33,34);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)c5ccc(Nc1nc(nc(Cl)n1)Nc4cc(N=NC3C(\C)=N/N(c2cc(Cl)c(cc2Cl)S([O-])(=O)=O)C3=O)c(cc4)S([O-])(=O)=O)c(c5)C([O-])=O


cas: 89923-44-4
formula: C31H24FN7O10S3.3Na
inchikey: HUBCJMNHXBJUAT-UHFFFAOYSA-K
norman_susdat_id: NS00092658
name:
Trisodium 2-[[6-[[4-(ethylphenylamino)-6-fluoro-1,3,5-triazin-2-yl]amino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate

inchi:
InChI=1/C31H24FN7O10S3.3Na/c1-2-39(19-7-4-3-5-8-19)31-35-29(32)34-30(36-31)33-18-11-12-20-17(15-18)16-25(51(44,45)46)26(27(20)40)38-37-23-14-13-21-22(28(23)52(47,48)49)9-6-10-24(21)50(41,42)43;;;/h3-16,40H,2H2,1H3,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H,33,34,35,36);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].CCN(c1ccccc1)c6nc(F)nc(Nc4cc5cc(c(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)c(O)c5cc4)S([O-])(=O)=O)n6


cas: 89923-45-5
formula: C34H25Cl3N10O11S3.3Na
inchikey: PMRNHRMWEMZZIP-UHFFFAOYSA-K
norman_susdat_id: NS00092659
name:
Trisodium 2-[4,5-dihydro-3-methyl-4-[[4-[[4-[[2-methyl-4-[(2,5,6-trichloropyrimidin-4-yl)amino]phenyl]azo]benzoyl]amino]-2-sulphonatophenyl]azo]-5-oxo-1H-pyrazol-1-yl]benzene-1,4-disulphonate

inchi:
InChI=1/C34H25Cl3N10O11S3.3Na/c1-16-13-20(38-31-28(35)30(36)40-34(37)41-31)7-10-23(16)43-42-19-5-3-18(4-6-19)32(48)39-21-8-11-24(27(14-21)61(56,57)58)44-45-29-17(2)46-47(33(29)49)25-15-22(59(50,51)52)9-12-26(25)60(53,54)55;;;/h3-15,29H,1-2H3,(H,39,48)(H,38,40,41)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].Clc6c(Cl)nc(Cl)nc6Nc5ccc(N=Nc1ccc(cc1)C(=O)Nc4ccc(N=NC3C(\C)=N/N(c2cc(ccc2S([O-])(=O)=O)S([O-])(=O)=O)C3=O)c(c4)S([O-])(=O)=O)c(C)c5


cas: 89923-46-6
formula: C45H28N8O6
inchikey: ODWPLMDIBUMCHK-UHFFFAOYSA-N
norman_susdat_id: NS00066170
pubchem_cid: NA
name:
N,N'-[(6-amino-1,3,5-triazine-2,4-diyl)bis[imino(9,10-dihydro-9,10-dioxoanthracene-4,1-diyl)]]bis(benzamide)

inchi:
InChI=1/C45H28N8O6/c46-43-51-44(49-31-21-19-29(47-41(58)23-11-3-1-4-12-23)33-35(31)39(56)27-17-9-7-15-25(27)37(33)54)53-45(52-43)50-32-22-20-30(48-42(59)24-13-5-2-6-14-24)34-36(32)40(57)28-18-10-8-16-26(28)38(34)55/h1-22H,(H,47,58)(H,48,59)(H4,46,49,50,51,52,53)

smiles:
O=C(NC1=CC=C(NC2=NC(=NC(=N2)NC3=CC=C(NC(=O)C=4C=CC=CC4)C=5C(=O)C=6C=CC=CC6C(=O)C35)N)C=7C(=O)C=8C=CC=CC8C(=O)C17)C=9C=CC=CC9


name: N,N'-bis[5-(benzoylamino)anthraquinon-1-yl]thiophene-2,5-dicarboxamide
cas: 89923-47-7
formula: C48H28N4O8S
inchikey: RNDNNQUALPYABR-UHFFFAOYSA-N
norman_susdat_id: NS00064846
pubchem_cid: NA
inchi:
InChI=1/C48H28N4O8S/c53-41-29-17-9-21-33(39(29)43(55)27-15-7-19-31(37(27)41)49-45(57)25-11-3-1-4-12-25)51-47(59)35-23-24-36(61-35)48(60)52-34-22-10-18-30-40(34)44(56)28-16-8-20-32(38(28)42(30)54)50-46(58)26-13-5-2-6-14-26/h1-24H,(H,49,57)(H,50,58)(H,51,59)(H,52,60)

smiles:
O=C(NC1=CC=CC=2C(=O)C=3C(=CC=CC3C(=O)C12)NC(=O)C=4C=CC=CC4)C=5SC(=CC5)C(=O)NC6=CC=CC=7C(=O)C=8C(=CC=CC8C(=O)C67)NC(=O)C=9C=CC=CC9


cas: 89923-50-2
formula: C23H22Cl2N8O5S.Na
inchikey: UUNHWKOZITUDQI-UHFFFAOYSA-M
norman_susdat_id: NS00092660
smiles: [Na+].CC(C)Oc1nc(Cl)nc(n1)Nc4cc(N=NC3C(\C)=N/N(c2c(Cl)cccc2C)C3=O)c(cc4)S([O-])(=O)=O
name:
Sodium 4-[[4-chloro-6-isopropoxy-1,3,5-triazin-2-yl]amino]-2-[[1-(2-chloro-6-methylphenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonate

inchi:
InChI=1/C23H22Cl2N8O5S.Na/c1-11(2)38-23-28-21(25)27-22(29-23)26-14-8-9-17(39(35,36)37)16(10-14)30-31-18-13(4)32-33(20(18)34)19-12(3)6-5-7-15(19)24;/h5-11,18H,1-4H3,(H,35,36,37)(H,26,27,28,29);/q;+1/p-1


cas: 89923-51-3
formula: C20H17Br2N5O8S2.2Na
inchikey: TTXZUJSNYRJQLZ-UHFFFAOYSA-L
norman_susdat_id: NS00092421
smiles: [Na+].[Na+].BrC(CBr)C(=O)Nc3ccc(N=Nc1cc2c(cc(cc2cc1)S([O-])(=O)=O)S([O-])(=O)=O)c(c3)NC(N)=O
name:
Disodium 7-[[2-[(aminocarbonyl)amino]-4-[(2,3-dibromo-1-oxopropyl)amino]phenyl]azo]naphthalene-1,3-disulphonate

inchi:
InChI=1/C20H17Br2N5O8S2.2Na/c21-9-15(22)19(28)24-11-3-4-16(17(7-11)25-20(23)29)27-26-12-2-1-10-5-13(36(30,31)32)8-18(14(10)6-12)37(33,34)35;;/h1-8,15H,9H2,(H,24,28)(H3,23,25,29)(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2


name: 6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)triazen-1-yl]benzothiazolium methyl sulphate
cas: 89923-57-9
formula: C16H16N5O3S.CH3O4S
inchikey: MXKBRGRWDGSFHA-UHFFFAOYSA-M
norman_susdat_id: NS00092480
smiles: [O-]S(=O)(=O)OC.[O-][N+](=O)c1ccc(cc1)N(C)N=Nc3sc2cc(ccc2[n+]3C)OC
inchi:
InChI=1/C16H16N5O3S.CH4O4S/c1-19-14-9-8-13(24-3)10-15(14)25-16(19)17-18-20(2)11-4-6-12(7-5-11)21(22)23;1-5-6(2,3)4/h4-10H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


name: Bis[6-methoxy-3-methyl-2-[3-methyl-3-(4-nitrophenyl)triazen-1-yl]benzothiazolium] sulphate
cas: 89923-58-0
formula: C16H16N5O3S.1/2O4S
inchikey: OPWUSWFYSMOOAW-UHFFFAOYSA-L
norman_susdat_id: NS00092940
inchi:
InChI=1/2C16H16N5O3S.H2O4S/c2*1-19-14-9-8-13(24-3)10-15(14)25-16(19)17-18-20(2)11-4-6-12(7-5-11)21(22)23;1-5(2,3)4/h2*4-10H,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
[O-]S([O-])(=O)=O.[O-][N+](=O)c1ccc(cc1)N(C)N=Nc3sc2cc(OC)ccc2[n+]3C.[O-][N+](=O)c1ccc(cc1)N(C)N=Nc3sc2cc(ccc2[n+]3C)OC


cas: 89923-60-4
dtxsid: DTXSID901009056
formula: C34H28Cl2N8O8S2
inchikey: BLZZLGFKNHZOGL-UHFFFAOYSA-L
norman_susdat_id: NS00064552
pubchem_cid: 57355571
name:
Disodium 3,3'-[(2,2'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[azo(4,5-dihydro-3-methyl-5-oxo-1H-pyrazole-4,1-diyl)]]bis[4-chlorobenzenesulphonate]

inchi:
InChI=1/C34H28Cl2N8O8S2.2Na/c1-17-13-21(37-39-31-19(3)41-43(33(31)45)29-15-23(53(47,48)49)7-11-27(29)35)5-9-25(17)26-10-6-22(14-18(26)2)38-40-32-20(4)42-44(34(32)46)30-16-24(54(50,51)52)8-12-28(30)36;;/h5-16,31-32H,1-4H3,(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1N(N=C(C)C1N=NC=2C=CC(C3=CC=C(N=NC4C(=O)N(N=C4C)C5=CC(=CC=C5Cl)S(=O)(=O)[O-])C=C3C)=C(C2)C)C6=CC(=CC=C6Cl)S(=O)(=O)[O-]


cas: 89923-62-6
formula: C23H19N3O6S.Na
inchikey: XYOLLVHQNKFTLW-UHFFFAOYSA-M
norman_susdat_id: NS00092481
smiles: [Na+].CCC(=O)Nc1cc(ccc1)Nc4cc(c(N)c3c4C(=O)c2ccccc2C3=O)S([O-])(=O)=O
name:
Sodium 1-amino-9,10-dihydro-9,10-dioxo-4-[[3-[(1-oxopropyl)amino]phenyl]amino]anthracene-2-sulphonate

inchi:
InChI=1/C23H19N3O6S.Na/c1-2-18(27)26-13-7-5-6-12(10-13)25-16-11-17(33(30,31)32)21(24)20-19(16)22(28)14-8-3-4-9-15(14)23(20)29;/h3-11,25H,2,24H2,1H3,(H,26,27)(H,30,31,32);/q;+1/p-1


name: 4-(Heptadecafluorooctyl)-N-methylbenzamide
cas: 89932-69-4
dtxsid: DTXSID80756058
formula: C16H8F17NO
inchikey: SWTPFYIUUFAQGT-UHFFFAOYSA-N
norman_susdat_id: NS00111613
smiles: CNC(=O)C1=CC=C(C=C1)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/C16H8F17NO/c1-34-8(35)6-2-4-7(5-3-6)9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h2-5H,1H3,(H,34,35)


name: 4-[(Heptadecafluorooctyl)oxy]benzene-1-sulfonamide
cas: 89932-76-3
dtxsid: DTXSID40756059
formula: C14H6F17NO3S
inchikey: BFTJXBHBMFIPTG-UHFFFAOYSA-N
norman_susdat_id: NS00110242
smiles: NS(=O)(=O)C1=CC=C(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1
inchi:
InChI=1S/C14H6F17NO3S/c15-7(16,9(19,20)11(23,24)13(27,28)29)8(17,18)10(21,22)12(25,26)14(30,31)35-5-1-3-6(4-2-5)36(32,33)34/h1-4H,(H2,32,33,34)


name: Quercetagetin
cas: 90-18-6
chebiid: CHEBI:8695
chemspiderid: 4444999
dtxsid: DTXSID80237978
formula: C15H10O8
inchikey: ZVOLCUVKHLEPEV-UHFFFAOYSA-N
norman_susdat_id: NS00039353
pubchem_cid: 5281680
smiles: Oc1ccc(cc1O)c1c(O)c(=O)c2c(o1)cc(O)c(O)c2O
inchi:
InChI=1S/C15H10O8/c16-6-2-1-5(3-7(6)17)15-14(22)13(21)10-9(23-15)4-8(18)11(19)12(10)20/h1-4,16-20,22H


name: Rhamnetin
cas: 90-19-7
chebiid: CHEBI:74992
chemspiderid: 4445008
dtxsid: DTXSID40237979
formula: C16H12O7
inchikey: JGUZGNYPMHHYRK-UHFFFAOYSA-N
norman_susdat_id: NS00015848
pubchem_cid: 5281691
smiles: COC1=CC(=C2C(=C1)OC(=C(C2=O)O)C3=CC(=C(C=C3)O)O)O
inchi:
InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3


name: 4-Chloro-5-hydroxynaphthalene-2,7-disulphonic acid
cas: 90-21-1
chemspiderid: 60020
dtxsid: DTXSID50237980
formula: C10H7Cl1O7S2
inchikey: PGAVDCUYQQGYAK-UHFFFAOYSA-N
norman_susdat_id: NS00039354
pubchem_cid: 66653
smiles: Oc1c2c(Cl)cc(cc2cc(c1)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C10H7ClO7S2/c11-8-3-6(19(13,14)15)1-5-2-7(20(16,17)18)4-9(12)10(5)8/h1-4,12H,(H,13,14,15)(H,16,17,18)


name: Diethylmethyl(2-3-methyl-2-phenylvaleryloxy)-ethyl)ammonium bromide
cas: 90-22-2
chebiid: CHEBI:135303
chemspiderid: 5446
dtxsid: DTXSID5049027
formula: C19H32N1O2
inchikey: UPPMZCXMQRVMME-UHFFFAOYSA-N
norman_susdat_id: NS00008564
pubchem_cid: 5648
smiles: CCC(C)C(C(=O)OCC[N+](C)(CC)CC)c1ccccc1
inchi:
InChI=1S/C19H32NO2/c1-6-16(4)18(17-12-10-9-11-13-17)19(21)22-15-14-20(5,7-2)8-3/h9-13,16,18H,6-8,14-15H2,1-5H3/q+1


name: Primaquine
cas: 90-34-6
chebiid: CHEBI:8405
chemspiderid: 4739
dtxsid: DTXSID8023509
formula: C15H21N3O1
inchikey: INDBQLZJXZLFIT-UHFFFAOYSA-N
norman_susdat_id: NS00000469
pubchem_cid: 4908
smiles: O(c1cc(NC(C)CCCN)c2ncccc2c1)C
inchi:
InChI=1S/C15H21N3O/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14/h4,6,8-11,18H,3,5,7,16H2,1-2H3


name: Sparteine
cas: 90-39-1
chebiid: CHEBI:28827
chemspiderid: 559096
dtxsid: DTXSID4023591
formula: C15H26N2
inchikey: SLRCCWJSBJZJBV-ZQDZILKHSA-N
norman_susdat_id: NS00008083
pubchem_cid: 644020
smiles: C1CCN2C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]2C1
inchi:
InChI=1S/C15H26N2/c1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17/h12-15H,1-11H2/t12-,13-,14-,15+/m0/s1


name: 2,7-Naphthalenedisulfonic acid, 3-amino-5-hydroxy-
cas: 90-40-4
chemspiderid: 60025
dtxsid: DTXSID3059008
formula: C10H9N1O7S2
inchikey: VNWVMZDJPMCAKD-UHFFFAOYSA-N
norman_susdat_id: NS00039359
pubchem_cid: 66658
smiles: Nc1cc2c(O)cc(cc2cc1S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C10H9NO7S2/c11-8-4-7-5(2-10(8)20(16,17)18)1-6(3-9(7)12)19(13,14)15/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18)


name: Ethylphenylacetylurea
cas: 90-49-3
chemspiderid: 58459
dtxsid: DTXSID4020612
formula: C11H14N2O2
inchikey: AJOQSQHYDOFIOX-UHFFFAOYNA-N
norman_susdat_id: NS00039361
pubchem_cid: NA
smiles: CCC(C(=O)NC(=O)N)c1ccccc1
inchi:
InChI=1S/C11H14N2O2/c1-2-9(10(14)13-11(12)15)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H3,12,13,14,15)/t9-/m0/s1


name: Etafenone
cas: 90-54-0
chebiid: CHEBI:135389
chemspiderid: 3160
dtxsid: DTXSID6046181
formula: C21H27N1O2
inchikey: OEGDFSLNGABBKJ-UHFFFAOYSA-N
norman_susdat_id: NS00004902
pubchem_cid: 3275
smiles: CCN(CC)CCOc1ccccc1C(=O)CCc1ccccc1
inchi:
InChI=1S/C21H27NO2/c1-3-22(4-2)16-17-24-21-13-9-8-12-19(21)20(23)15-14-18-10-6-5-7-11-18/h5-13H,3-4,14-17H2,1-2H3


name: 2,2'-Thiobis[6-tert-butyl-p-cresol]
cas: 90-66-4
chemspiderid: 60028
dtxsid: DTXSID7059012
formula: C22H30O2S1
inchikey: MQWCQFCZUNBTCM-UHFFFAOYSA-N
norman_susdat_id: NS00020548
pubchem_cid: 66661
smiles: Cc1cc(Sc2cc(C)cc(c2O)C(C)(C)C)c(O)c(c1)C(C)(C)C
inchi:
InChI=1S/C22H30O2S/c1-13-9-15(21(3,4)5)19(23)17(11-13)25-18-12-14(2)10-16(20(18)24)22(6,7)8/h9-12,23-24H,1-8H3


name: 2,2'-thiobis(4,6-di-sec-pentylphenol)
cas: 90-67-5
dtxsid: DTXSID801009089
formula: C32H50O2S
inchikey: FLLOPEDWTVKHRZ-UHFFFAOYSA-N
norman_susdat_id: NS00041409
pubchem_cid: 101551
smiles: OC1=C(SC=2C=C(C=C(C2O)C(C)CCC)C(C)CCC)C=C(C=C1C(C)CCC)C(C)CCC
inchi:
InChI=1/C32H50O2S/c1-9-13-21(5)25-17-27(23(7)15-11-3)31(33)29(19-25)35-30-20-26(22(6)14-10-2)18-28(32(30)34)24(8)16-12-4/h17-24,33-34H,9-16H2,1-8H3


name: Phenol, 2,6-bis[[3-(1,1-dimethylethyl)-2-hydroxy-5-methylphenyl]methyl]-4-methyl-
cas: 90-68-6
chemspiderid: 60029
dtxsid: DTXSID2059013
formula: C31H40O3
inchikey: LKALLEFLBKHPTQ-UHFFFAOYSA-N
norman_susdat_id: NS00039373
pubchem_cid: 66662
smiles: Cc1cc(Cc2cc(C)cc(c2O)C(C)(C)C)c(O)c(Cc2c(O)c(cc(C)c2)C(C)(C)C)c1
inchi:
InChI=1S/C31H40O3/c1-18-10-21(16-23-12-19(2)14-25(28(23)33)30(4,5)6)27(32)22(11-18)17-24-13-20(3)15-26(29(24)34)31(7,8)9/h10-15,32-34H,16-17H2,1-9H3


name: Lobeline
cas: 90-69-7
chebiid: CHEBI:48723
chemspiderid: 91814
dtxsid: DTXSID3023219
formula: C22H27N1O2
inchikey: MXYUKLILVYORSK-HBMCJLEFSA-N
norman_susdat_id: NS00001152
pubchem_cid: 101616
smiles: CN1[C@H](C[C@H](O)c2ccccc2)CCC[C@@H]1CC(=O)c1ccccc1
inchi:
InChI=1S/C22H27NO2/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18/h2-7,9-12,19-21,24H,8,13-16H2,1H3/t19-,20+,21-/m0/s1


name: 6-O-(6-deoxy-a-L-mannopyranosyl)-D-glucose
cas: 90-74-4
dtxsid: DTXSID70896972
formula: C12H22O10
inchikey: CPYCUQCIDSHOHI-IFLAJBTPSA-N
norman_susdat_id: NS00041254
pubchem_cid: 5460038
smiles: O=CC(O)C(O)C(O)C(O)COC1OC(C)C(O)C(O)C1O
inchi:
InChI=1/C12H22O10/c1-4-7(16)10(19)11(20)12(22-4)21-3-6(15)9(18)8(17)5(14)2-13/h2,4-12,14-20H,3H2,1H3


name: Cinnamedrine
cas: 90-86-8
chemspiderid: 4521391
dtxsid: DTXSID8057851
formula: C19H23N1O1
inchikey: YMJMZFPZRVMNCH-FMIVXFBMNA-N
norman_susdat_id: NS00039376
pubchem_cid: NA
smiles: CC(C(O)c1ccccc1)N(C)C/C=C/c1ccccc1
inchi:
InChI=1S/C19H23NO/c1-16(19(21)18-13-7-4-8-14-18)20(2)15-9-12-17-10-5-3-6-11-17/h3-14,16,19,21H,15H2,1-2H3/b12-9+/t16-,19-/m1/s1


name: Methanone, bis[4-(diethylamino)phenyl]-
cas: 90-93-7
chemspiderid: 60030
dtxsid: DTXSID7059014
formula: C21H28N2O1
inchikey: VYHBFRJRBHMIQZ-UHFFFAOYSA-N
norman_susdat_id: NS00020039
pubchem_cid: 66663
smiles: CCN(CC)c1ccc(cc1)C(=O)c1ccc(cc1)N(CC)CC
inchi:
InChI=1S/C21H28N2O/c1-5-22(6-2)19-13-9-17(10-14-19)21(24)18-11-15-20(16-12-18)23(7-3)8-4/h9-16H,5-8H2,1-4H3


name: Fentin acetate
cas: 900-95-8
chebiid: CHEBI:81918
dtxsid: DTXSID6021408
formula: C20H18O2Sn
inchikey: WDQNIWFZKXZFAY-UHFFFAOYSA-M
norman_susdat_id: NS00042402
pubchem_cid: NA
smiles: O=C(O[Sn](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3)C
inchi:
InChI=1/3C6H5.C2H4O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1/rC20H18O2Sn/c1-17(21)22-23(18-11-5-2-6-12-18,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3


name: Kava
cas: 9000-38-8
dtxsid: DTXSID5031505
formula: C14H16O3
inchikey: OMNGEVNATYFZGG-ABZNLYFFSA-N
norman_susdat_id: NS00069808
smiles: COC1=CC(=O)O[C@H](/C=C/C2=CCCC=C2)C1
inchi:
InChI=1S/C14H16O3/c1-16-13-9-12(17-14(15)10-13)8-7-11-5-3-2-4-6-11/h3,5-8,10,12H,2,4,9H2,1H3/b8-7+/t12-/m1/s1


name: Disodium methylenebis(salicylate)
cas: 90009-35-1
formula: C15H12O6.2Na
inchikey: IGHFVKIBHWMEFC-UHFFFAOYSA-L
norman_susdat_id: NS00092203
smiles: [Na+].[Na+].[O-]C(=O)c2ccccc2OCOc1ccccc1C([O-])=O
inchi:
InChI=1/C15H12O6.2Na/c16-14(17)10-5-1-3-7-12(10)20-9-21-13-8-4-2-6-11(13)15(18)19;;/h1-8H,9H2,(H,16,17)(H,18,19);;/q;2*+1/p-2


name: Papain
cas: 9001-73-4
chemspiderid: 3544
dtxsid: DTXSID7044184
formula: C19H29N7O6
inchikey: FJPHHBGPPJXISY-UONOGXRCSA-N
norman_susdat_id: NS00019500
pubchem_cid: 71464370
smiles: c1cc(ccc1C[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)O)NC(=O)CNC(=O)CN)O
inchi:
InChI=1S/C19H29N7O6/c20-9-15(28)24-10-16(29)25-14(8-11-3-5-12(27)6-4-11)17(30)26-13(18(31)32)2-1-7-23-19(21)22/h3-6,13-14,27H,1-2,7-10,20H2,(H,24,28)(H,25,29)(H,26,30)(H,31,32)(H4,21,22,23)/t13-,14+/m0/s1


name: Flocoumafen
cas: 90035-08-8
chebiid: CHEBI:81894
chemspiderid: 82846
dtxsid: DTXSID1058212
formula: C33H25F3O4
inchikey: KKBGNYHHEIAGOH-UHFFFAOYNA-N
norman_susdat_id: NS00019925
pubchem_cid: 54698175
smiles: Oc1c(C2CC(Cc3c2cccc3)c2ccc(OCc3ccc(cc3)C(F)(F)F)cc2)c(=O)oc2ccccc12
inchi:
InChI=1S/C33H25F3O4/c34-33(35,36)24-13-9-20(10-14-24)19-39-25-15-11-21(12-16-25)23-17-22-5-1-2-6-26(22)28(18-23)30-31(37)27-7-3-4-8-29(27)40-32(30)38/h1-16,23,28,37H,17-19H2/t23-,28+/m0/s1


name: CELLULOSE ACETATE PROPIONATE
cas: 9004-39-1
chemspiderid: 2341164
formula: C36H54O19
inchikey: DQEFEBPAPFSJLV-UHFFFAOYSA-N
norman_susdat_id: NS00013437
pubchem_cid: 3084040
inchi:
InChI=1S/C36H54O19.C28H38O19.C12H22O11/c1-9-21(37)45-17-19-29(49-23(39)11-3)31(50-24(40)12-4)34(53-27(43)15-7)36(48-19)55-30-20(18-46-22(38)10-2)47-35(54-28(44)16-8)33(52-26(42)14-6)32(30)51-25(41)13-5;1-11(29)37-9-19-21(39-13(3)31)23(40-14(4)32)26(43-17(7)35)28(46-19)47-22-20(10-38-12(2)30)45-27(44-18(8)36)25(42-16(6)34)24(22)41-15(5)33;13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h19-20,29-36H,9-18H2,1-8H3;19-28H,9-10H2,1-8H3;3-20H,1-2H2

smiles:
CCC(=O)OCC1OC(OC(=O)CC)C(OC(=O)CC)C(OC(=O)CC)C1OC2OC(COC(=O)CC)C(OC(=O)CC)C(OC(=O)CC)C2OC(=O)CC.CC(=O)OCC3OC(OC(C)=O)C(OC(C)=O)C(OC(C)=O)C3OC4OC(COC(C)=O)C(OC(C)=O)C(OC(C)=O)C4OC(C)=O.OCC5OC(OC6C(O)C(O)C(O)OC6CO)C(O)C(O)C5O


name: DEXTRIN
cas: 9004-53-9
chebiid: CHEBI:173277
chemspiderid: 21239184
formula: C18H32O16
inchikey: FYGDTMLNYKFZSV-UHFFFAOYSA-N
norman_susdat_id: NS00013554
pubchem_cid: 871
inchi:
InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17?,18?/m1/s1

smiles:
OC[C@H]1OC(O[C@H]2[C@H](O)[C@@H](O)C(O[C@@H]2CO)O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]1O


name: Ethylcellulose
cas: 9004-57-3
chemspiderid: 145595
dtxsid: DTXSID0049608
formula: C19H36O11
inchikey: GJQHNBFXPPDVQM-KSQRYXQLSA-N
norman_susdat_id: NS00019475
pubchem_cid: NA
smiles: CCOC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](OCC)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](COCC)[C@@H]1O
inchi:
InChI=1S/C19H36O11/c1-4-25-8-10-13(21)12(9-26-5-2)29-19(14(10)22)30-16-11(7-20)28-18(24)17(15(16)23)27-6-3/h10-24H,4-9H2,1-3H3/t10-,11+,12+,13-,14+,15?,16+,17?,18+,19?/m0/s1


name: Hyaluronic acid
cas: 9004-61-9
chebiid: CHEBI:151449
chemspiderid: 2341173
dtxsid: DTXSID7046750
formula: C28H44N2O23
inchikey: KIUKXJAPPMFGSW-DNGZLQJQSA-N
norman_susdat_id: NS00004618
pubchem_cid: 3084050
inchi:
InChI=1S/C28H44N2O23/c1-5(33)29-9-18(11(35)7(3-31)47-25(9)46)49-28-17(41)15(39)20(22(53-28)24(44)45)51-26-10(30-6(2)34)19(12(36)8(4-32)48-26)50-27-16(40)13(37)14(38)21(52-27)23(42)43/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45)/t7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20+,21+,22+,25-,26+,27-,28-/m1/s1

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


name: hydroxyethyl cellulose
cas: 9004-62-0
chemspiderid: 21270039
formula: C29H52O21
inchikey: CWSZBVAUYPTXTG-UHFFFAOYSA-N
norman_susdat_id: NS00007183
pubchem_cid: 24846132
smiles: COC1C(O)C(O)C(OCC2OC(OC3C(O)C(O)C(C)OC3CO)C(O)C(O)C2OC2OC(CO)C(OC)C(O)C2OCCO)OC1CO
inchi:
InChI=1S/C29H52O21/c1-10-15(34)16(35)24(13(8-33)45-10)49-28-20(39)18(37)25(50-29-26(43-5-4-30)21(40)23(42-3)12(7-32)47-29)14(48-28)9-44-27-19(38)17(36)22(41-2)11(6-31)46-27/h10-40H,4-9H2,1-3H3


name: 2,3,6-Tris-O-(2-hydroxypropyl)-beta-D-glucopyranose
cas: 9004-64-2
chemspiderid: 5549
formula: C15H30O9
inchikey: UJVWTHKJVRJAOZ-KUDUMFAVSA-N
norman_susdat_id: NS00019692
pubchem_cid: NA
smiles: CC(O)COC[C@H]1O[C@@H](O)[C@H](OCC(C)O)[C@@H](OCC(C)O)[C@@H]1O
inchi:
InChI=1S/C15H30O9/c1-8(16)4-21-7-11-12(19)13(22-5-9(2)17)14(15(20)24-11)23-6-10(3)18/h8-20H,4-7H2,1-3H3/t8-,9-,10+,11+,12+,13-,14+,15+/m0/s1


name: (Z)-a-9-Octadecenyl-?-hydroxy-poly(oxy-1,2-ethanediyl).
cas: 9004-98-2
chemspiderid: 4516857
formula: C20H40O2
inchikey: KWVPFECTOKLOBL-KTKRTIGZSA-N
norman_susdat_id: NS00013099
pubchem_cid: 5364713
smiles: CCCCCCCCC=C/CCCCCCCCOCCO
inchi:
InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-20-18-21/h9-10,21H,2-8,11-20H2,1H3/b10-9-


name: C18 Alcohol, predominately linear, 8 EO
cas: 9004-99-3
chemspiderid: 23983
dtxsid: DTXSID70157070
formula: C34H70O9
inchikey: WPXCYCTVMORDCF-UHFFFAOYSA-N
norman_susdat_id: NS00095681
pubchem_cid: 25743
smiles: OCCOCCOCCOCCOCCOCCOCCOCCOCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C34H70O9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-36-21-23-38-25-27-40-29-31-42-33-34-43-32-30-41-28-26-39-24-22-37-20-18-35/h35H,2-34H2,1H3


name: Sambucinol
cas: 90044-33-0
chemspiderid: 10212194
dtxsid: DTXSID30891842
formula: C15H22O4
inchikey: GFLMBFRNOPTZDK-CMBQYIQPSA-N
norman_susdat_id: NS00094914
pubchem_cid: 5459101
smiles: CC1=C[C@]23[C@](CC1)([C@]4(C[C@@H]([C@H]([C@]4(O2)CO)O3)O)C)C
inchi:
InChI=1S/C15H22O4/c1-9-4-5-12(2)13(3)7-10(17)11-14(13,8-16)19-15(12,6-9)18-11/h6,10-11,16-17H,4-5,7-8H2,1-3H3/t10-,11+,12+,13+,14+,15+/m0/s1


cas: 9005-07-6
formula: C36H66O3
norman_susdat_id: NS00101788
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[(9Z)-1-oxo-9-octadecenyl]-.omega.-[[(9Z)-1-oxo-9-octadecenyl]oxy]-


name: ALGINIC ACID
cas: 9005-32-7
chemspiderid: 11563
formula: C14H22O12
inchikey: XJKJWTWGDGIQRH-UHFFFAOYSA-N
norman_susdat_id: NS00014314
pubchem_cid: 3369091
smiles: C[C@H]1[C@H]([C@H]([C@@H]([C@H](O1)C(=O)O)O[C@H]2[C@H]([C@H]([C@@H]([C@@H](O2)C(=O)O)OC)O)O)O)O
inchi:
InChI=1S/C14H22O12/c1-3-4(15)5(16)9(11(24-3)13(21)22)25-14-7(18)6(17)8(23-2)10(26-14)12(19)20/h3-11,14-18H,1-2H3,(H,19,20)(H,21,22)/t3-,4+,5+,6+,7-,8-,9-,10+,11-,14+/m0/s1


name: heparin
cas: 9005-49-6
chemspiderid: 57530711
formula: C26H42N2O37S5
inchikey: HTTJABKRGRZYRN-UHFFFAOYSA-N
norman_susdat_id: NS00003059
pubchem_cid: 772
inchi:
InChI=1S/C26H42N2O37S5/c1-4(30)27-7-9(31)13(6(56-23(7)39)3-55-67(43,44)45)58-26-19(65-70(52,53)54)12(34)16(20(62-26)22(37)38)60-24-8(28-66(40,41)42)15(63-68(46,47)48)14(5(2-29)57-24)59-25-18(64-69(49,50)51)11(33)10(32)17(61-25)21(35)36/h5-20,23-26,28-29,31-34,39H,2-3H2,1H3,(H,27,30)(H,35,36)(H,37,38)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54)

smiles:
CC(=O)NC1C(O)OC(COS(O)(=O)=O)C(OC2OC(C(OC3OC(CO)C(OC4OC(C(O)C(O)C4OS(O)(=O)=O)C(O)=O)C(OS(O)(=O)=O)C3NS(O)(=O)=O)C(O)C2OS(O)(=O)=O)C(O)=O)C1O


name: Polysorbate 80
cas: 9005-65-6
chemspiderid: 4447515
dtxsid: DTXSID0021175
formula: C32H60O10
inchikey: RGPBUVUVZKQNHD-KTKRTIGZSA-N
norman_susdat_id: NS00013949
pubchem_cid: NA
smiles: CCCCCCCC/C=C/CCCCCCCC(=O)OCCOCC(OCCO)C1OC(CC1OCCO)OCCO
inchi:
InChI=1S/C32H60O10/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-30(36)40-25-24-37-27-29(39-22-19-34)32-28(38-21-18-33)26-31(42-32)41-23-20-35/h9-10,28-29,31-35H,2-8,11-27H2,1H3/b10-9+


name: Polysorbate 60
cas: 9005-67-8
chemspiderid: 391555
dtxsid: DTXSID9029300
formula: C26H50O10
inchikey: HMFKFHLTUCJZJO-UHFFFAOYSA-N
norman_susdat_id: NS00013950
pubchem_cid: 443314
smiles: CCCCCCCCCCCC(=O)OCCOCC(OCCO)C1OCC(OCCO)C1OCCO
inchi:
InChI=1S/C26H50O10/c1-2-3-4-5-6-7-8-9-10-11-24(30)34-19-18-31-20-22(32-15-12-27)26-25(35-17-14-29)23(21-36-26)33-16-13-28/h22-23,25-29H,2-21H2,1H3


name: Glycogen
cas: 9005-79-2
chemspiderid: 3669873
dtxsid: DTXSID3093812
formula: C24H42O21
inchikey: BYSGBSNPRWKUQH-UHFFFAOYSA-N
norman_susdat_id: NS00013711
pubchem_cid: 4471484
inchi:
InChI=1S/C24H42O21/c25-1-5-9(28)11(30)16(35)22(41-5)39-4-8-20(45-23-17(36)12(31)10(29)6(2-26)42-23)14(33)18(37)24(43-8)44-19-7(3-27)40-21(38)15(34)13(19)32/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15-,16-,17-,18-,19-,20-,21+,22+,23-,24-/m1/s1

smiles:
OC[C@H]1O[C@H](OC[C@H]2O[C@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O)O[C@@H]3CO)[C@H](O)[C@@H](O)[C@@H]2O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@@H](O)[C@@H]1O


name: Octadecanoic acid, 12-[(1-oxooctadecyl)oxy]-, 2-octyldodecyl ester
cas: 90052-75-8
chemspiderid: 152414
dtxsid: DTXSID90869042
formula: C56H110O4
inchikey: XMFXBMLFOSSELI-UHFFFAOYSA-N
norman_susdat_id: NS00013915
pubchem_cid: 174782
smiles: CCCCCCCCCCCCCCCCCC(=O)OC(CCCCCC)CCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC
inchi:
InChI=1S/C56H110O4/c1-5-9-13-17-20-22-23-24-25-26-27-28-34-39-45-51-56(58)60-54(48-42-16-12-8-4)49-43-37-32-29-30-33-38-44-50-55(57)59-52-53(46-40-35-19-15-11-7-3)47-41-36-31-21-18-14-10-6-2/h53-54H,5-52H2,1-4H3


name: Carbazole butanoic acid
cas: 90053-09-1
dtxsid: DTXSID50332287
formula: C16H15NO2
inchikey: HQAKVYGASUTQHH-UHFFFAOYSA-N
norman_susdat_id: NS00070113
pubchem_cid: 448769
smiles: O=C(O)CCCn1c2ccccc2c2ccccc21
inchi:
InChI=1S/C16H15NO2/c18-16(19)10-5-11-17-14-8-3-1-6-12(14)13-7-2-4-9-15(13)17/h1-4,6-9H,5,10-11H2,(H,18,19)


name: Clopidogrel
cas: 90055-48-4
chebiid: CHEBI:103977
chemspiderid: 2704
dtxsid: DTXSID6022848
formula: C16H16Cl1N1O2S1
inchikey: GKTWGGQPFAXNFI-UHFFFAOYSA-N
norman_susdat_id: NS00008954
pubchem_cid: 2806
smiles: COC(=O)C(N1CCc2sccc2C1)c1ccccc1Cl
inchi:
InChI=1S/C16H16ClNO2S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14/h2-5,7,9,15H,6,8,10H2,1H3


name: 3-{1-[(2-aminopyridin-4-yl)methyl]-1h-indol-4-yl}-1-(5-bromo-2-methoxyphenyl)urea
cas: 900573-88-8
formula: C22H20BrN5O2
inchikey: ZXBFYBLSJMEBEP-UHFFFAOYSA-N
norman_susdat_id: NS00072234
pubchem_cid: 11691242
smiles: COc1ccc(Br)cc1NC(=O)Nc1cccc2c1ccn2Cc1ccnc(N)c1
inchi:
InChI=1S/C22H20BrN5O2/c1-30-20-6-5-15(23)12-18(20)27-22(29)26-17-3-2-4-19-16(17)8-10-28(19)13-14-7-9-25-21(24)11-14/h2-12H,13H2,1H3,(H2,24,25)(H2,26,27,29)


name: bis((N(1)-methyl-N(2)-methylsulfonyl)guanidinylethyl)disulfide
cas: 90060-06-3
chemspiderid: 128900
dtxsid: DTXSID20238020
formula: C10H24N6O4S4
inchikey: FLOFMJRPUSLRKL-UHFFFAOYSA-N
norman_susdat_id: NS00039349
pubchem_cid: 146127
smiles: CN=C(NCCSSCCNC(=NC)NS(=O)(=O)C)NS(=O)(=O)C
inchi:
InChI=1S/C10H24N6O4S4/c1-11-9(15-23(3,17)18)13-5-7-21-22-8-6-14-10(12-2)16-24(4,19)20/h5-8H2,1-4H3,(H2,11,13,15)(H2,12,14,16)


cas: 90062-89-8
dtxsid: DTXSID10882879
norman_susdat_id: NS00109275
name:
2-Propenoic acid, 2-methyl-, 2-(acetyloxy)-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-octadecafluoro-11-(trifluoromethyl)dodecyl ester, homopolymer


name: Chondroitin sulfate
cas: 9007-28-7
chemspiderid: 10619318
dtxsid: DTXSID8031021
formula: C13H21N1O15S1
inchikey: KXKPYJOVDUMHGS-UHFFFAOYSA-N
norman_susdat_id: NS00014054
pubchem_cid: 21873177
inchi:
InChI=1S/C13H21NO15S/c1-2(15)14-3-8(7(19)13(28-11(3)22)29-30(23,24)25)26-12-6(18)4(16)5(17)9(27-12)10(20)21/h3-9,11-13,16-19,22H,1H3,(H,14,15)(H,20,21)(H,23,24,25)/t3-,4+,5+,6-,7-,8-,9+,11-,12-,13-/m1/s1

smiles:
CC(=O)N[C@H]1[C@H](O)O[C@H](O[S](O)(=O)=O)[C@H](O)[C@@H]1O[C@@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2O)C(O)=O


name: POLYGLYCERYL-4 OLEATE
cas: 9007-48-1
chemspiderid: 4940594
formula: C36H70O14
inchikey: RAIRMBHOCCUQAG-ALCCZGGFSA-N
norman_susdat_id: NS00013986
pubchem_cid: 6435909
smiles: OCC(O)CCCCCCCCCC=C/CCCC(CC(O)CO)C(CC(O)CO)C(CC(O)CO)C(CC(O)CO)C(=O)OCC(O)CO
inchi:
InChI=1S/C36H70O14/c37-19-27(43)14-12-10-8-6-4-2-1-3-5-7-9-11-13-26(15-28(44)20-38)33(16-29(45)21-39)34(17-30(46)22-40)35(18-31(47)23-41)36(49)50-25-32(48)24-42/h5,7,26-35,37-48H,1-4,6,8-25H2/b7-5-


name: ELASTIN
cas: 9007-58-3
chemspiderid: 3670708
formula: C27H48N6O6
inchikey: DPUYCSDGMSDKKV-UHFFFAOYSA-N
norman_susdat_id: NS00013654
pubchem_cid: 4472335
smiles: CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(C)=O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)NC
inchi:
InChI=1S/C27H48N6O6/c1-9-17(6)23(32-24(36)19(13-15(2)3)30-18(7)34)26(38)29-14-21(35)31-22(16(4)5)27(39)33-12-10-11-20(33)25(37)28-8/h15-17,19-20,22-23H,9-14H2,1-8H3,(H,28,37)(H,29,38)(H,30,34)(H,31,35)(H,32,36)/t17-,19-,20-,22-,23-/m0/s1


name: Laminaran
cas: 9008-22-4
chemspiderid: 388438
dtxsid: DTXSID2093823
formula: C18H32O16
inchikey: DBTMGCOVALSLOR-DTWDJNCBSA-N
norman_susdat_id: NS00014295
pubchem_cid: NA
inchi:
InChI=1S/C18H32O16/c19-1-4-7(22)10(25)11(26)17(31-4)34-15-9(24)6(3-21)32-18(13(15)28)33-14-8(23)5(2-20)30-16(29)12(14)27/h4-29H,1-3H2/t4-,5-,6-,7-,8-,9-,10+,11-,12-,13-,14+,15+,16?,17?,18?/m1/s1

smiles:
OC[C@H]1OC(O[C@H]2[C@H](O)[C@@H](CO)OC(O[C@@H]3[C@@H](O)C(O)O[C@H](CO)[C@H]3O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O


name: Cefminox
cas: 90085-12-4
chebiid: CHEBI:135817
chemspiderid: 64286
formula: C16H21N7O7S3
inchikey: JSDXOWVAHXDYCU-VXSYNFHWSA-N
norman_susdat_id: NS00011867
pubchem_cid: 71141
smiles: Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@](C3=O)(NC(=O)CSC[C@H](C(=O)O)N)OC)SC2)C(=O)O
inchi:
InChI=1S/C16H21N7O7S3/c1-22-15(19-20-21-22)33-4-7-3-32-14-16(30-2,13(29)23(14)10(7)12(27)28)18-9(24)6-31-5-8(17)11(25)26/h8,14H,3-6,17H2,1-2H3,(H,18,24)(H,25,26)(H,27,28)/t8-,14-,16+/m1/s1


name: Ethanol, 2,2'-[(1-methylethylidene)bis(4,1-phenyleneoxy)]bis-
cas: 901-44-0
chebiid: CHEBI:34577
chemspiderid: 55770
dtxsid: DTXSID6029204
formula: C19H24O4
inchikey: UUAGPGQUHZVJBQ-UHFFFAOYSA-N
norman_susdat_id: NS00007830
pubchem_cid: 61909
smiles: CC(C)(c1ccc(OCCO)cc1)c1ccc(OCCO)cc1
inchi:
InChI=1S/C19H24O4/c1-19(2,15-3-7-17(8-4-15)22-13-11-20)16-5-9-18(10-6-16)23-14-12-21/h3-10,20-21H,11-14H2,1-2H3


name: (20R)-pregn-5-ene-3ß,20-diol
cas: 901-57-5
chebiid: CHEBI:166782
formula: C21H34O2
inchikey: QAAQQTDJEXMIMF-NFJVIFTASA-N
norman_susdat_id: NS00041953
pubchem_cid: 101898
smiles: OC1CC2=CCC3C(CCC4(C)C(CCC34)C(O)C)C2(C)CC1
inchi:
InChI=1/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,13,15-19,22-23H,5-12H2,1-3H3


name: Trisodium 8-aminonaphthalene-1,3,6-trisulphonate
cas: 901-79-1
formula: C10H9NO9S3.3Na
inchikey: VSPFLROIRRUCBX-UHFFFAOYSA-K
norman_susdat_id: NS00079535
smiles: [Na+].[Na+].[Na+].Nc1cc(cc2cc(cc(c12)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H9NO9S3.3Na/c11-8-3-6(21(12,13)14)1-5-2-7(22(15,16)17)4-9(10(5)8)23(18,19)20;;;/h1-4H,11H2,(H,12,13,14)(H,15,16,17)(H,18,19,20);;;/q;3*+1/p-3


name: Droxicam
cas: 90101-16-9
chebiid: CHEBI:76133
dtxsid: DTXSID70238035
formula: C16H11N3O5S
inchikey: OEHFRZLKGRKFAS-UHFFFAOYSA-N
norman_susdat_id: NS00068342
pubchem_cid: 65679
smiles: CN1c2c(oc(=O)n(-c3ccccn3)c2=O)-c2ccccc2S1(=O)=O
inchi:
InChI=1S/C16H11N3O5S/c1-18-13-14(10-6-2-3-7-11(10)25(18,22)23)24-16(21)19(15(13)20)12-8-4-5-9-17-12/h2-9H,1H3


cas: 9011-19-2
dtxsid: DTXSID6049771
norman_susdat_id: NS00113529
name:
Poly[oxy(dimethylsilylene)], ?-hydro-?-hydroxy-, polymer with ?-hydro-?-hydroxypoly[oxy[methyl(2-phenylethyl)silylene]]


name: Fostamatinib
cas: 901119-35-5
formula: C23H26FN6O9P
inchikey: GKDRMWXFWHEQQT-UHFFFAOYSA-N
norman_susdat_id: NS00072506
pubchem_cid: 11671467
smiles: COc1cc(Nc2ncc(F)c(Nc3ccc4c(n3)N(COP(=O)(O)O)C(=O)C(C)(C)O4)n2)cc(OC)c1OC
inchi:
InChI=1S/C23H26FN6O9P/c1-23(2)21(31)30(11-38-40(32,33)34)20-14(39-23)6-7-17(28-20)27-19-13(24)10-25-22(29-19)26-12-8-15(35-3)18(37-5)16(9-12)36-4/h6-10H,11H2,1-5H3,(H2,32,33,34)(H2,25,26,27,28,29)


name: AGAROSE
cas: 9012-36-6
chemspiderid: 3795689
formula: C24H38O19
inchikey: MJQHZNBUODTQTK-UHFFFAOYSA-N
norman_susdat_id: NS00013347
pubchem_cid: 4604180
inchi:
InChI=1S/C24H38O19/c25-1-5-9(27)11(29)12(30)22(38-5)41-17-8-4-36-20(17)15(33)24(40-8)43-18-10(28)6(2-26)39-23(14(18)32)42-16-7-3-35-19(16)13(31)21(34)37-7/h5-34H,1-4H2/t5-,6-,7+,8+,9+,10+,11+,12-,13+,14-,15+,16-,17-,18+,19+,20+,21-,22+,23+,24+/m1/s1

smiles:
OC[C@H]1O[C@@H](O[C@@H]2[C@@H]3CO[C@H]2[C@H](O)[C@@H](O3)O[C@H]4[C@@H](O)[C@@H](CO)O[C@@H](O[C@@H]5[C@@H]6CO[C@H]5[C@H](O)[C@H](O)O6)[C@@H]4O)[C@H](O)[C@@H](O)[C@H]1O


name: Chitosan
cas: 9012-76-4
chemspiderid: 21239055
dtxsid: DTXSID6030992
formula: C56H103N9O39
inchikey: FLASNYPZGWUPSU-UHFFFAOYSA-N
norman_susdat_id: NS00013452
pubchem_cid: 21896651
inchi:
InChI=1S/C56H103N9O39/c1-87-56(86)65-28-38(84)46(19(10-74)96-55(28)104-45-18(9-73)95-49(27(64)37(45)83)97-39-12(3-67)88-47(85)20(57)31(39)77)103-54-26(63)36(82)44(17(8-72)94-54)102-53-25(62)35(81)43(16(7-71)93-53)101-52-24(61)34(80)42(15(6-70)92-52)100-51-23(60)33(79)41(14(5-69)91-51)99-50-22(59)32(78)40(13(4-68)90-50)98-48-21(58)30(76)29(75)11(2-66)89-48/h11-55,66-85H,2-10,57-64H2,1H3,(H,65,86)/t11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48+,49+,50+,51+,52+,53+,54+,55+/m1/s1

smiles:
COC(=O)N[C@@H]1[C@@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O[C@@H]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@@H](O[C@@H]7O[C@H](CO)[C@@H](O)[C@H](O)[C@H]7N)[C@H](O)[C@H]6N)[C@H](O)[C@H]5N)[C@H](O)[C@H]4N)[C@H](O)[C@H]3N)[C@H](O)[C@H]2N)[C@@H](CO)O[C@H]1O[C@H]8[C@H](O)[C@@H](N)[C@@H](O[C@@H]8CO)O[C@H]9[C@H](O)[C@@H](N)[C@H](O)O[C@@H]9CO


cas: 9014-85-1
dtxsid: DTXSID20895132
norman_susdat_id: NS00075761
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[1,4-dimethyl-1,4-bis(2-methylpropyl)-2-butyne-1,4-diyl]bis[.omega.-hydroxy-


name: Polyethylene glycol nonylphenyl ether sulfate sodium salt
cas: 9014-90-8
chemspiderid: 4576439
dtxsid: DTXSID1042310
formula: C30H46O1
inchikey: BALXAMAFSGBZFN-UHFFFAOYSA-N
norman_susdat_id: NS00014079
pubchem_cid: 5463921
smiles: [Na+].CCCCCCCCCc1ccccc1Oc2ccccc2CCCCCCCCC.[O-][S]([O-])(=O)=O
inchi:
InChI=1S/C30H46O.Na.H2O4S/c1-3-5-7-9-11-13-15-21-27-23-17-19-25-29(27)31-30-26-20-18-24-28(30)22-16-14-12-10-8-6-4-2;;1-5(2,3)4/h17-20,23-26H,3-16,21-22H2,1-2H3;;(H2,1,2,3,4)/q;+1;/p-2


name: Acetamide, 2-[(2,2-dimethoxyethyl)amino]-N-(2-phenylethyl)-
cas: 90142-14-6
chemspiderid: 9099925
dtxsid: DTXSID00448569
formula: C14H22N2O3
inchikey: KOMKLFDEPKFXBU-UHFFFAOYSA-N
norman_susdat_id: NS00040838
pubchem_cid: 10924680
smiles: COC(CNCC(=O)NCCc1ccccc1)OC
inchi:
InChI=1S/C14H22N2O3/c1-18-14(19-2)11-15-10-13(17)16-9-8-12-6-4-3-5-7-12/h3-7,14-15H,8-11H2,1-2H3,(H,16,17)


name: 7-methoxy-3-(6-methoxybenzothiazol-2-yl)-2-oxo-2H-1-benzopyran-4-carbonitrile
cas: 90146-03-5
dtxsid: DTXSID701009179
formula: C19H12N2O4S
inchikey: IENYPDXEIIYLQZ-UHFFFAOYSA-N
norman_susdat_id: NS00065685
pubchem_cid: 16205672
smiles: N#CC=1C2=CC=C(OC)C=C2OC(=O)C1C3=NC=4C=CC(OC)=CC4S3
inchi:
InChI=1/C19H12N2O4S/c1-23-10-3-5-12-13(9-20)17(19(22)25-15(12)7-10)18-21-14-6-4-11(24-2)8-16(14)26-18/h3-8H,1-2H3


name: 3-(6-ethoxybenzothiazol-2-yl)-7-methoxy-2-oxo-2H-1-benzopyran-4-carbonitrile
cas: 90146-05-7
dtxsid: DTXSID40888703
formula: C20H14N2O4S
inchikey: RLIOSGKNGRNYPS-UHFFFAOYSA-N
norman_susdat_id: NS00065237
pubchem_cid: 163585
smiles: N#CC=1C2=CC=C(OC)C=C2OC(=O)C1C3=NC=4C=CC(OCC)=CC4S3
inchi:
InChI=1/C20H14N2O4S/c1-3-25-12-5-7-15-17(9-12)27-19(22-15)18-14(10-21)13-6-4-11(24-2)8-16(13)26-20(18)23/h4-9H,3H2,1-2H3


name: diethyl 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecylphosphonate
cas: 90146-96-6
dtxsid: DTXSID00479232
formula: C14H14F17O3P
inchikey: GYIWCCQPZCEECI-UHFFFAOYSA-N
norman_susdat_id: NS00108807
smiles: CCOP(=O)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCC
inchi:
InChI=1S/C14H14F17O3P/c1-3-33-35(32,34-4-2)6-5-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h3-6H2,1-2H3


cas: 90146-97-7
dtxsid: DTXSID40883031
norman_susdat_id: NS00110322
name:
Phosphonic acid, (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-, compd. with N,N-diethylethanamine


name: N2,N2-dimethyl-N6-(1-oxooctadecyl)-L-lysine
cas: 90147-01-6
dtxsid: DTXSID701009181
formula: C26H52N2O3
inchikey: XVIVXOVYFNKPJB-DEOSSOPVSA-N
norman_susdat_id: NS00065686
pubchem_cid: 57355586
smiles: O=C(NCCCCC(C(=O)O)N(C)C)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C26H52N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25(29)27-23-20-19-21-24(26(30)31)28(2)3/h24H,4-23H2,1-3H3,(H,27,29)(H,30,31)


name: Perfluorooctaneamide betaine
cas: 90179-39-8
dtxsid: DTXSID70892590
formula: C15H15F15N2O3
inchikey: FTAFFTSOJBRORR-UHFFFAOYSA-N
norman_susdat_id: NS00111363
smiles: C[N+](C)(CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC([O-])=O
inchi:
InChI=1S/C15H15F15N2O3/c1-32(2,6-7(33)34)5-3-4-31-8(35)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)14(26,27)15(28,29)30/h3-6H2,1-2H3,(H-,31,33,34,35)


cas: 9018-04-6
norman_susdat_id: NS00075765
name:
1,4-Butanediol, polymer with .alpha.-hydro-.omega.-hydroxypoly(oxy-1,4-butanediyl) and 1,1'-methylenebis[4-isocyanatobenzene]


name: Dipropan-2-yl (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phosphonate
cas: 90183-56-5
dtxsid: DTXSID60896709
formula: C16H18F17O3P
inchikey: NUHXZXDKWWVPIK-UHFFFAOYSA-N
norman_susdat_id: NS00111153
smiles: CC(C)OP(=O)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(C)C
inchi:
InChI=1S/C16H18F17O3P/c1-7(2)35-37(34,36-8(3)4)6-5-9(17,18)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h7-8H,5-6H2,1-4H3


name: Brominated diphenyl ethers
cas: 90193-67-2
dtxsid: DTXSID70107595
norman_susdat_id: NS00075494
smiles:
[*]C1=C([*])C([*])=C(OC2=C([*])C([*])=C([*])C([*])=C2[*])C([*])=C1[*] |$_R1;;;_R1;;_R1;;;;;_R1;;_R1;;_R1;;_R1;;_R1;;_R1;;_R1$,c:1,8,16,21,t:5,12,lp:7:2,RG:_R1={Br* |$;_AP1$,lp:0:3|},LOG={_R1:;H;>0}|


name: triphenyltetrazolium
cas: 902-00-1
chebiid: CHEBI:78021
chemspiderid: 8927
formula: C19H15N4
inchikey: LNOBZXNCABUBKK-UHFFFAOYSA-N
norman_susdat_id: NS00007572
pubchem_cid: 9284
smiles: c1ccc(cc1)-c1nn(-c2ccccc2)[n+](n1)-c1ccccc1
inchi:
InChI=1S/C19H15N4/c1-4-10-16(11-5-1)19-20-22(17-12-6-2-7-13-17)23(21-19)18-14-8-3-9-15-18/h1-15H/q+1


name: 2'-deoxy-5'-guanylic acid
cas: 902-04-5
formula: C10H14N5O7P
inchikey: LTFMZDNNPPEQNG-UHFFFAOYSA-N
norman_susdat_id: NS00079334
smiles: NC1=Nc2c(ncn2C3CC(O)C(COP(=O)(O)O)O3)C(=O)N1
inchi:
InChI=1/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)


name: 2-(diethylamino)ethyl chlorodiphenylacetate hydrochloride
cas: 902-83-0
dtxsid: DTXSID601009245
formula: C20H24ClNO2
inchikey: UFSBFMDTWVPCIA-UHFFFAOYSA-N
norman_susdat_id: NS00041945
pubchem_cid: 13483
smiles: Cl.O=C(OCCN(CC)CC)C(Cl)(C=1C=CC=CC1)C=2C=CC=CC2
inchi:
InChI=1/C20H24ClNO2.ClH/c1-3-22(4-2)15-16-24-19(23)20(21,17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14H,3-4,15-16H2,1-2H3;1H


name: 1,3-dibutyl-2-[3-(triethoxysilyl)propyl]isothiouronium chloride
cas: 90210-34-7
formula: C18H40N2O3SSi
inchikey: FCOFMTYCHMIOMN-UHFFFAOYSA-N
norman_susdat_id: NS00064805
pubchem_cid: 91997714
smiles: [Cl-].O(CC)[Si](OCC)(OCC)CCCSC(NCCCC)=[NH+]CCCC
inchi:
InChI=1/C18H40N2O3SSi.ClH/c1-6-11-14-19-18(20-15-12-7-2)24-16-13-17-25(21-8-3,22-9-4)23-10-5;/h6-17H2,1-5H3,(H,19,20);1H


name: 1,3-diphenyl-2-[3-(triethoxysilyl)propyl]isothiourea, monohydrochloride
cas: 90210-35-8
formula: C22H32N2O3SSi
inchikey: XPKLMMUQSDXPMQ-UHFFFAOYSA-N
norman_susdat_id: NS00064806
pubchem_cid: 91997823
smiles: Cl.N(C=1C=CC=CC1)=C(SCCC[Si](OCC)(OCC)OCC)NC=2C=CC=CC2
inchi:
InChI=1/C22H32N2O3SSi.ClH/c1-4-25-29(26-5-2,27-6-3)19-13-18-28-22(23-20-14-9-7-10-15-20)24-21-16-11-8-12-17-21;/h7-12,14-17H,4-6,13,18-19H2,1-3H3,(H,23,24);1H


name: 4,5-dihydro-2-[[3-(triethoxysilyl)propyl]thio]-1H-imidazole monohydrochloride
cas: 90210-36-9
formula: C12H26N2O3SSi.ClH
inchikey: RLUSMNPPDDEDGS-UHFFFAOYSA-N
norman_susdat_id: NS00093071
smiles: Cl.CCO[Si](CCCSC1=NCCN1)(OCC)OCC
inchi:
InChI=1/C12H26N2O3SSi.ClH/c1-4-15-19(16-5-2,17-6-3)11-7-10-18-12-13-8-9-14-12;/h4-11H2,1-3H3,(H,13,14);1H


cas: 90211-01-1
chemspiderid: NA
formula: C6H6Cl3N4O3P1S1
inchikey: QZZOGRZCLZKNBM-QDEBKDIKSA-N
norman_susdat_id: NS00007434
pubchem_cid: 12016397
smiles: CCON=C(/C(Cl)=O)c1nsc(NP(Cl)(Cl)=O)n1
name:
2-{5-[(Dichlorophosphoryl)amino]-1,2,4-thiadiazol-3-yl}-(Z)-2-(ethoxyimino)acetyl chloride, (2Z)-2-[5-[(dichlorophosphoryl)amino]-1,2,4-thiadiazol-3-yl]-2-(ethoxyimino)acetyl chloride, 2-(5-[(dichlorophosphophoryl)amino]-1,2,4-thiadiazol-3-yl)-(z)-2-(ethoxyimino)acetyl chloride

inchi:
InChI=1S/C6H6Cl3N4O3PS/c1-2-16-11-3(4(7)14)5-10-6(18-13-5)12-17(8,9)15/h2H2,1H3,(H,10,12,13,15)/b11-3+


name: 2-[Bis(4-fluorophenyl)methanesulfinyl]-N-hydroxyacetamide
cas: 90212-80-9
dtxsid: DTXSID40536590
formula: C15H13F2NO3S
inchikey: VKGUUSVYPXTWMA-UHFFFAOYSA-N
norman_susdat_id: NS00067989
smiles: ONC(=O)CS(=O)C(C1=CC=C(F)C=C1)C1=CC=C(F)C=C1
inchi:
InChI=1S/C15H13F2NO3S/c16-12-5-1-10(2-6-12)15(22(21)9-14(19)18-20)11-3-7-13(17)8-4-11/h1-8,15,20H,9H2,(H,18,19)


name: Florbetaben ((sup 18)F)
cas: 902143-01-5
chemspiderid: 9676143
dtxsid: DTXSID20238065
formula: C21H26F1N1O3
inchikey: NCWZOASIUQVOFA-UHFFFAOYSA-N
norman_susdat_id: NS00040671
pubchem_cid: 11501341
smiles: CNc1ccc(C=Cc2ccc(OCCOCCOCCF)cc2)cc1
inchi:
InChI=1S/C21H26FNO3/c1-23-20-8-4-18(5-9-20)2-3-19-6-10-21(11-7-19)26-17-16-25-15-14-24-13-12-22/h2-11,23H,12-17H2,1H3


cas: 90218-71-6
dtxsid: DTXSID60881296
norman_susdat_id: NS00110934
name:
Benzenesulfonyl chloride, [[(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro-1-oxooctyl)amino]methyl]-, branched and linear


cas: 902456-09-1
dtxsid: DTXSID00897093
formula: C50H52F17N4O8P
inchikey: ISTSQSORQULSAL-NEBJRPIFSA-N
norman_susdat_id: NS00109094
name:
Thymidine, 5'-O-[[4-(1H,1H,2H,2H-perfluorodecyl)phenyl]bis(4-methoxyphenyl)methyl]-, 3'-[2-cyanoethyl N,N-bis(1-methylethyl)phosphoramidite]

inchi:
InChI=1S/C50H52F17N4O8P/c1-28(2)71(29(3)4)80(77-24-8-23-68)79-37-25-39(70-26-30(5)40(72)69-41(70)73)78-38(37)27-76-43(33-13-17-35(74-6)18-14-33,34-15-19-36(75-7)20-16-34)32-11-9-31(10-12-32)21-22-42(51,52)44(53,54)45(55,56)46(57,58)47(59,60)48(61,62)49(63,64)50(65,66)67/h9-20,26,28-29,37-39H,8,21-22,24-25,27H2,1-7H3,(H,69,72,73)/t37-,38+,39+,80?/m0/s1

smiles:
COC1=CC=C(C=C1)C(OC[C@H]1O[C@H](C[C@@H]1OP(OCCC#N)N(C(C)C)C(C)C)N1C=C(C)C(=O)NC1=O)(C1=CC=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1)C1=CC=C(OC)C=C1


cas: 90268-23-8
dtxsid: DTXSID90105356
inchikey: DHHOHVWWZLHYBC-UHFFFAOYSA-N
norman_susdat_id: NS00076482
pubchem_cid: 91316050
smiles: CC(=O)C(C(=O)Nc1ccccc1)N=Nc1ccc(c2ccc(N=NC(C(=O)C)C(=O)Nc3ccc(OC)cc3)c(Cl)c2)cc1Cl
name:
Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-, N,N'-bis(p-anisyl and Ph) derivs.

inchi:
InChI=1S/C33H28Cl2N6O5/c1-19(42)30(32(44)36-23-7-5-4-6-8-23)40-38-28-15-9-21(17-26(28)34)22-10-16-29(27(35)18-22)39-41-31(20(2)43)33(45)37-24-11-13-25(46-3)14-12-24/h4-18,30-31H,1-3H3,(H,36,44)(H,37,45)


cas: 90268-24-9
dtxsid: DTXSID70894655
inchikey: CTCGHGAGCLXAHB-UHFFFAOYSA-N
norman_susdat_id: NS00076477
pubchem_cid: 44153097
smiles: Cc1ccc(NC(=O)C(C(=O)C)N=Nc2ccc(c3ccc(N=NC(C(=O)C)C(=O)Nc4cc(OC)c(Cl)cc4OC)c(Cl)c3)cc2Cl)c(C)c1
name:
Butanamide, 2,2'-[(3,3'-dichloro[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[3-oxo-, N,N'-bis(4-chloro-2,5-dimethoxyphenyl and 2,4-xylyl) derivs.

inchi:
InChI=1S/C36H33Cl3N6O6/c1-18-7-10-27(19(2)13-18)40-35(48)33(20(3)46)44-42-28-11-8-22(14-24(28)37)23-9-12-29(25(38)15-23)43-45-34(21(4)47)36(49)41-30-17-31(50-5)26(39)16-32(30)51-6/h7-17,33-34H,1-6H3,(H,40,48)(H,41,49)


name: 5-acetyl-10,11-dihydro-5H-dibenz[b,f]azepine nitrate
cas: 90284-53-0
dtxsid: DTXSID401009287
formula: C16H15NO
inchikey: ICNWPNRZMWPYLQ-UHFFFAOYSA-N
norman_susdat_id: NS00065327
pubchem_cid: 56843329
smiles: O=C(N1C=2C=CC=CC2CCC=3C=CC=CC31)C.O=[N+]([O-])O
inchi:
InChI=1/C16H15NO.HNO3/c1-12(18)17-15-8-4-2-6-13(15)10-11-14-7-3-5-9-16(14)17;2-1(3)4/h2-9H,10-11H2,1H3;(H,2,3,4)


name: 2-Butyl-5,6,6,7,7,8,8,8-octafluorooct-4-enoic acid
cas: 90292-29-8
dtxsid: DTXSID90848039
formula: C12H14F8O2
inchikey: GTNZGZBDWNABEG-UHFFFAOYSA-N
norman_susdat_id: NS00111951
smiles: CCCCC(CC=C(F)C(F)(F)C(F)(F)C(F)(F)F)C(O)=O
inchi:
InChI=1S/C12H14F8O2/c1-2-3-4-7(9(21)22)5-6-8(13)10(14,15)11(16,17)12(18,19)20/h6-7H,2-5H2,1H3,(H,21,22)


name: 2,5-Bis(1,1,3,3-tetramethylbutyl)hydroquinone
cas: 903-19-5
chemspiderid: 63366
dtxsid: DTXSID7052733
formula: C22H38O2
inchikey: CLDZVCMRASJQFO-UHFFFAOYSA-N
norman_susdat_id: NS00039357
pubchem_cid: 70180
smiles: CC(C)(C)CC(C)(C)c1cc(O)c(cc1O)C(C)(C)CC(C)(C)C
inchi:
InChI=1S/C22H38O2/c1-19(2,3)13-21(7,8)15-11-18(24)16(12-17(15)23)22(9,10)14-20(4,5)6/h11-12,23-24H,13-14H2,1-10H3


name: Disodium 9,10-dihydro-9,10-dioxoanthracene-1,8-disulphonate
cas: 903-46-8
formula: C14H8O8S2.2Na
inchikey: QPNXKOHYRKMDAP-UHFFFAOYSA-L
norman_susdat_id: NS00079551
smiles: [Na+].[Na+].[O-]S(=O)(=O)c1cccc2C(=O)c3cccc(c3C(=O)c12)S(=O)(=O)[O-]
inchi:
InChI=1/C14H8O8S2.2Na/c15-13-7-3-1-5-9(23(17,18)19)11(7)14(16)12-8(13)4-2-6-10(12)24(20,21)22;;/h1-6H,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2


cas: 90317-74-1
dtxsid: DTXSID50882893
norman_susdat_id: NS00110653
name:
Poly[oxy[trifluoro(trifluoromethyl)-1,2-ethanediyl]], .alpha.-(1-carboxy-1,2,2,2-tetrafluoroethyl)-.omega.-(1,1,2,2,3,3,3-heptafluoropropoxy)-


cas: 90341-71-2
inchikey: IXENUUCKNFGEKJ-UHFFFAOYSA-H
norman_susdat_id: NS00078488
name:
Cuprate(4-), [2-[[[[2-hydroxy-3-sulfo-5-[[2-(sulfooxy)ethyl]sulfonyl]phenyl]azo]phenylmethyl]azo]-4-sulfobenzoato(6-)]-, sodium

smiles:
[Na+].[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1cc2N3N=C(N=Nc4cc(ccc4C(=O)O[Cu-]3Oc2c(c1)S([O-])(=O)=O)S([O-])(=O)=O)c1ccccc1


