# cl_id

name: Promethazine hydrochloride
cas: 58-33-3
chebiid: CHEBI:8462
dtxsid: DTXSID3021192
formula: C17H21ClN2S
inchikey: XXPDBLUZJRXNNZ-UHFFFAOYSA-N
norman_susdat_id: NS00076255
smiles: Cl.CC(CN1C2=CC=CC=C2SC2=C1C=CC=C2)N(C)C
inchi:
InChI=1/C17H20N2S.ClH/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19;/h4-11,13H,12H2,1-3H3;1H


name: Thiazinamium metilsulfate
cas: 58-34-4
formula: C18H23N2S.CH3O4S
inchikey: BVIDQAVCCRUFGU-UHFFFAOYSA-M
norman_susdat_id: NS00078956
smiles: COS(=O)(=O)[O-].CC(CN1c2ccccc2Sc3ccccc13)[N+](C)(C)C
inchi:
InChI=1/C18H23N2S.CH4O4S/c1-14(20(2,3)4)13-19-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)19;1-5-6(2,3)4/h5-12,14H,13H2,1-4H3;1H3,(H,2,3,4)/q+1;/p-1


name: Diphenoxarsin-10-yl oxide
cas: 58-36-6
formula: C24H16As2O3
inchikey: VCRZAKVGPJFABU-UHFFFAOYSA-N
norman_susdat_id: NS00078957
smiles: O([As]1c2ccccc2Oc3ccccc13)[As]4c5ccccc5Oc6ccccc46
inchi:
InChI=1/C24H16As2O3/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)27-21)29-26-19-11-3-7-15-23(19)28-24-16-8-4-12-20(24)26/h1-16H


name: Aminopromazine
cas: 58-37-7
chebiid: CHEBI:135400
chemspiderid: 18278
dtxsid: DTXSID00861592
formula: C19H25N3S1
inchikey: YZQNFFLGIYEXMM-UHFFFAOYSA-N
norman_susdat_id: NS00009218
pubchem_cid: 19392
smiles: CN(C)CC(CN1c2ccccc2Sc2ccccc12)N(C)C
inchi:
InChI=1S/C19H25N3S/c1-20(2)13-15(21(3)4)14-22-16-9-5-7-11-18(16)23-19-12-8-6-10-17(19)22/h5-12,15H,13-14H2,1-4H3


name: Prochlorperazine
cas: 58-38-8
chebiid: CHEBI:8435
chemspiderid: 4748
dtxsid: DTXSID7023514
formula: C20H24Cl1N3S1
inchikey: WIKYUJGCLQQFNW-UHFFFAOYSA-N
norman_susdat_id: NS00001684
pubchem_cid: 4917
smiles: CN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
inchi:
InChI=1S/C20H24ClN3S/c1-22-11-13-23(14-12-22)9-4-10-24-17-5-2-3-6-19(17)25-20-8-7-16(21)15-18(20)24/h2-3,5-8,15H,4,9-14H2,1H3


name: Perphenazine
cas: 58-39-9
chebiid: CHEBI:8028
chemspiderid: 4586
dtxsid: DTXSID1023441
formula: C21H26Cl1N3O1S1
inchikey: RGCVKNLCSQQDEP-UHFFFAOYSA-N
norman_susdat_id: NS00006492
pubchem_cid: 4748
smiles: OCCN1CCN(CCCN2c3ccccc3Sc3ccc(Cl)cc23)CC1
inchi:
InChI=1S/C21H26ClN3OS/c22-17-6-7-21-19(16-17)25(18-4-1-2-5-20(18)27-21)9-3-8-23-10-12-24(13-11-23)14-15-26/h1-2,4-7,16,26H,3,8-15H2


name: Promazine
cas: 58-40-2
chebiid: CHEBI:8459
chemspiderid: 4757
dtxsid: DTXSID2023517
formula: C17H20N2S1
inchikey: ZGUGWUXLJSTTMA-UHFFFAOYSA-N
norman_susdat_id: NS00010417
pubchem_cid: 4926
smiles: CN(C)CCCN1C2=CC=CC=C2SC3=CC=CC=C31
inchi:
InChI=1S/C17H20N2S/c1-18(2)12-7-13-19-14-8-3-5-10-16(14)20-17-11-6-4-9-15(17)19/h3-6,8-11H,7,12-13H2,1-2H3


name: Tetrabenazine
cas: 58-46-8
chebiid: CHEBI:64028
chemspiderid: 5796
dtxsid: DTXSID0042614
formula: C19H27N1O3
inchikey: MKJIEFSOBYUXJB-UHFFFAOYSA-N
norman_susdat_id: NS00008216
pubchem_cid: 6018
smiles: COc1cc2CCN3CC(CC(C)C)C(=O)CC3c2cc1OC
inchi:
InChI=1S/C19H27NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16H,5-7,10-11H2,1-4H3


name: Puromycin
cas: 58-58-2
chebiid: CHEBI:17939
chemspiderid: 388623
formula: C22H29N7O5
inchikey: RXWNCPJZOCPEPQ-NVWDDTSBSA-N
norman_susdat_id: NS00011702
pubchem_cid: 439530
smiles: CN(C)c1c2c(ncn1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)/N=C([C@H](Cc4ccc(cc4)OC)N)/O)O
inchi:
InChI=1S/C22H29N7O5/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32)/t14-,15+,16+,18+,22+/m0/s1


name: Puromycin aminonucleoside
cas: 58-60-6
chebiid: CHEBI:42839
chemspiderid: 1541
dtxsid: DTXSID7037264
formula: C12H18N6O3
inchikey: RYSMHWILUNYBFW-GRIPGOBMSA-N
norman_susdat_id: NS00020099
pubchem_cid: 6020
smiles: CN(C)c1ncnc2c1ncn2C1OC(CO)C(N)C1O
inchi:
InChI=1S/C12H18N6O3/c1-17(2)10-8-11(15-4-14-10)18(5-16-8)12-9(20)7(13)6(3-19)21-12/h4-7,9,12,19-20H,3,13H2,1-2H3/t6-,7-,9-,12+/m1/s1


name: Adenosine
cas: 58-61-7
chebiid: CHEBI:16335
chemspiderid: 54923
dtxsid: DTXSID1022558
formula: C10H13N5O4
inchikey: OIRDTQYFTABQOQ-KQYNXXCUSA-N
norman_susdat_id: NS00098759
pubchem_cid: 60961
smiles: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
inchi:
InChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1


name: Inosine
cas: 58-63-9
chebiid: CHEBI:17596
chemspiderid: 5799
dtxsid: DTXSID2045993
formula: C10H12N4O5
inchikey: UGQMRVRMYYASKQ-KQYNXXCUSA-N
norman_susdat_id: NS00010210
pubchem_cid: 6021
smiles: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c1[nH]cnc2=O
inchi:
InChI=1S/C10H12N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2-4,6-7,10,15-17H,1H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1


name: Adenosine 5'-(trihydrogen diphosphate)
cas: 58-64-0
chebiid: CHEBI:16761
chemspiderid: 5800
dtxsid: DTXSID60883210
formula: C10H15N5O10P2
inchikey: XTWYTFMLZFPYCI-KQYNXXCUSA-N
norman_susdat_id: NS00014781
pubchem_cid: 6022
smiles: C1=NC(=C2C(=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)O)O)O)N
inchi:
InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1


name: Dihydronicotinamide-adenine dinucleotide
cas: 58-68-4
dtxsid: DTXSID30889320
formula: C21H29N7O14P2
inchikey: BOPGDPNILDQYTO-UHFFFAOYSA-N
norman_susdat_id: NS00041065
pubchem_cid: 928
smiles: O=C(N)C1=CN(C=CC1)C2OC(COP(=O)(O)OP(=O)(O)OCC3OC(N4C=NC=5C(=NC=NC54)N)C(O)C3O)C(O)C2O
inchi:
InChI=1/C21H29N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3-4,7-8,10-11,13-16,20-21,29-32H,2,5-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)


name: Cefalotin sodium
cas: 58-71-9
formula: C16H16N2O6S2.Na
inchikey: VUFGUVLLDPOSBC-XRZFDKQNSA-N
norman_susdat_id: NS00078866
smiles: [Na+].CC(=O)OCC1=C(N2[C@H](SC1)[C@H](NC(=O)Cc3cccs3)C2=O)C(=O)O
inchi:
InChI=1/C16H16N2O6S2.Na/c1-8(19)24-6-9-7-26-15-12(14(21)18(15)13(9)16(22)23)17-11(20)5-10-3-2-4-25-10;/h2-4,12,15H,5-7H2,1H3,(H,17,20)(H,22,23);/q;+1


name: Papaverine
cas: 58-74-2
chebiid: CHEBI:28241
chemspiderid: 4518
dtxsid: DTXSID4023418
formula: C20H21N1O4
inchikey: XQYZDYMELSJDRZ-UHFFFAOYSA-N
norman_susdat_id: NS00007287
pubchem_cid: 4680
smiles: COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC
inchi:
InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3


name: Biotin
cas: 58-85-5
chebiid: CHEBI:95156
chemspiderid: 248
dtxsid: DTXSID7022679
formula: C10H16N2O3S1
inchikey: YBJHBAHKTGYVGT-UHFFFAOYSA-N
norman_susdat_id: NS00005403
pubchem_cid: 253
smiles: OC(=O)CCCCC1SCC2NC(=O)NC12
inchi:
InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)


name: Uridine
cas: 58-96-8
chebiid: CHEBI:16704
chemspiderid: NA
dtxsid: DTXSID40891555
formula: C9H12N2O6
inchikey: DRTQHJPVMGBUCF-XVFCMESISA-N
norman_susdat_id: NS00014580
pubchem_cid: 6029
smiles: O=c1nc(O)ccn1[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
inchi:
InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1


name: 5'-Uridylic acid
cas: 58-97-9
chemspiderid: 1139
dtxsid: DTXSID20883211
formula: C9H13N2O9P1
inchikey: DJJCXFVJDGTHFX-UHFFFAOYSA-N
norman_susdat_id: NS00009556
pubchem_cid: 1172
smiles: OC1C(COP(O)(O)=O)OC(C1O)n1ccc(=O)[nH]c1=O
inchi:
InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)


name: Uridine 5'-diphosphate (UDP)
cas: 58-98-0
chebiid: CHEBI:17659
chemspiderid: 5809
formula: C9H14N2O12P2
inchikey: XCCTYIAWTASOJW-XVFCMESISA-N
norman_susdat_id: NS00015192
pubchem_cid: 6031
smiles: O[C@@H]1[C@@H](COP(=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)n1ccc(nc1=O)O
inchi:
InChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1


name: (S)-5-[[1-benzyl-2-[(4-nitrophenyl)amino]-2-oxoethyl]amino]-5-oxovaleric acid
cas: 5800-34-0
dtxsid: DTXSID30973571
formula: C20H22N3O6
inchikey: LFZGBNATHRHOKZ-KRWDZBQOSA-N
norman_susdat_id: NS00046618
pubchem_cid: 111098
smiles: O=C(O)CCCC(=O)NC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])CC=2C=CC=CC2
inchi:
InChI=1/C20H21N3O6/c24-18(7-4-8-19(25)26)22-17(13-14-5-2-1-3-6-14)20(27)21-15-9-11-16(12-10-15)23(28)29/h1-3,5-6,9-12,17H,4,7-8,13H2,(H,21,27)(H,22,24)(H,25,26)


name: Clavulanic acid
cas: 58001-44-8
chebiid: CHEBI:48947
chemspiderid: 4444466
dtxsid: DTXSID2022830
formula: C8H9NO5
inchikey: HZZVJAQRINQKSD-PBFISZAISA-N
norman_susdat_id: NS00068017
pubchem_cid: 5280980
smiles: C1[C@@H]2N(C1=O)[C@H](/C(=C/CO)/O2)C(=O)O
inchi:
InChI=1S/C8H9NO5/c10-2-1-4-7(8(12)13)9-5(11)3-6(9)14-4/h1,6-7,10H,2-3H2,(H,12,13)/b4-1-/t6-,7-/m1/s1


name: trans-5-Isopropyl-6,7-epoxy-8-hydroxy-8-methylnonan-2-one
cas: 58002-07-6
formula: C13H24O3
inchikey: NZONGNWZJAITOL-GLXQMMQGSA-N
norman_susdat_id: NS00114122
smiles: CC(CCC(C(C)C)[C@H](O1)[C@@H]1C(C)(O)C)=O
inchi:
InChI=1S/C13H24O3/c1-8(2)10(7-6-9(3)14)11-12(16-11)13(4,5)15/h8,10-12,15H,6-7H2,1-5H3/t10?,11-,12+/m0/s1


name: Pyrazolynate
cas: 58011-68-0
chebiid: CHEBI:8657
chemspiderid: 38869
dtxsid: DTXSID1058133
formula: C19H16Cl2N2O4S1
inchikey: ASRAWSBMDXVNLX-UHFFFAOYSA-N
norman_susdat_id: NS00015458
pubchem_cid: 42619
smiles: CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=NN2C)C)C(=O)C3=C(C=C(C=C3)Cl)Cl
inchi:
InChI=1S/C19H16Cl2N2O4S/c1-11-4-7-14(8-5-11)28(25,26)27-19-17(12(2)22-23(19)3)18(24)15-9-6-13(20)10-16(15)21/h4-10H,1-3H3


cas: 58014-01-0
formula: C26H30BrCl2FO6
inchikey: CAPJXOFUERKRLV-KSJJEJIISA-N
norman_susdat_id: NS00052874
pubchem_cid: 12788353
smiles: O=C1C=C2C(F)CC3C4CC(C)C(OC(=O)C)(C(=O)COC(=O)C)C4(C)CC(Cl)C3(Cl)C2(C=C1Br)C
name:
2-bromo-9,11ß-dichloro-6ß-fluoro-17,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 17,21-di(acetate)

inchi:
InChI=1/C26H30BrCl2FO6/c1-12-6-15-16-7-19(30)17-8-20(33)18(27)9-23(17,4)25(16,29)21(28)10-24(15,5)26(12,36-14(3)32)22(34)11-35-13(2)31/h8-9,12,15-16,19,21H,6-7,10-11H2,1-5H3


name: Diaminoanthra[9,1,2-cde]benzo[rst]pentaphene-5,10-dione
cas: 58019-27-5
formula: C34H18N2O2
inchikey: OREWMIWXOLAJSE-UHFFFAOYSA-N
norman_susdat_id: NS00053389
pubchem_cid: 20841827
smiles: O=C1C=2C=CC=CC2C=3C=CC=4C5=CC=C6C=7C(N)=C(N)C=CC7C(=O)C=8C=CC(C9=CC=C1C3C94)=C5C86
inchi:
InChI=1/C34H18N2O2/c35-26-14-13-25-31(32(26)36)22-10-7-18-17-6-5-16-15-3-1-2-4-21(15)33(37)23-11-8-19(27(17)29(16)23)20-9-12-24(34(25)38)30(22)28(18)20/h1-14H,35-36H2


name: N,N-dimethyl-3-thieno[2,3-c][2]benzothiepin-4(9H)-ylidenepropylamine
cas: 5802-61-9
chebiid: CHEBI:167625
formula: C17H19NS2
inchikey: ZLJLUTCIUOCIQM-UHFFFAOYSA-N
norman_susdat_id: NS00082063
smiles: CN(C)CCC=C1c3ccsc3SCc2ccccc12
inchi:
InChI=1/C17H19NS2/c1-18(2)10-5-8-15-14-7-4-3-6-13(14)12-20-17-16(15)9-11-19-17/h3-4,6-9,11H,5,10,12H2,1-2H3


name: Methyl hexacosanoate
cas: 5802-82-4
chemspiderid: 20719
dtxsid: DTXSID80206745
formula: C27H54O2
inchikey: VHUJBYYFFWDLNM-UHFFFAOYSA-N
norman_susdat_id: NS00033838
pubchem_cid: 22048
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC
inchi:
InChI=1S/C27H54O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29-2/h3-26H2,1-2H3


name: Disodium 2-sulphonatooctadecanoate
cas: 5802-91-5
dtxsid: DTXSID90889487
formula: C18H36O5S
inchikey: DBKJZAWCDAODRC-UHFFFAOYSA-L
norman_susdat_id: NS00045826
pubchem_cid: 110713
smiles: [Na+].[Na+].O=C([O-])C(CCCCCCCCCCCCCCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C18H36O5S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18(19)20)24(21,22)23;;/h17H,2-16H2,1H3,(H,19,20)(H,21,22,23);;/q;2*+1/p-2


name: 2,8-Dihydroxy-4b,5,6,10b,11,12-hexahydrochrysene
cas: 58024-06-9
chemspiderid: 23351465
formula: C18H18O2
inchikey: WKSBLYZBEPGLTB-UHFFFAOYSA-N
norman_susdat_id: NS00008956
pubchem_cid: NA
smiles: Oc1ccc2C3CCc4cc(O)ccc4C3CCc2c1
inchi:
InChI=1S/C18H18O2/c19-13-3-7-15-11(9-13)1-5-17-16-8-4-14(20)10-12(16)2-6-18(15)17/h3-4,7-10,17-20H,1-2,5-6H2


name: [2,3-dichloro-4-(1H-tetrazol-5-ylmethoxy)phenyl] 2-thienyl ketone
cas: 58030-58-3
dtxsid: DTXSID10973615
formula: C13H8Cl2N4O2S
inchikey: BMJHIHGNLQCIRO-UHFFFAOYSA-N
norman_susdat_id: NS00052917
pubchem_cid: 93918
smiles: O=C(C=1SC=CC1)C2=CC=C(OCC3=NN=NN3)C(Cl)=C2Cl
inchi:
InChI=1/C13H8Cl2N4O2S/c14-11-7(13(20)9-2-1-5-22-9)3-4-8(12(11)15)21-6-10-16-18-19-17-10/h1-5H,6H2,(H,16,17,18,19)


name: N'-benzyl-N,N-dimethyl-N'-pyridin-2-ylethylenediammonium maleate
cas: 58044-99-8
formula: C16H21N3.C4H4O4
inchikey: IYBMTVOXRBXURA-BTJKTKAUSA-N
norman_susdat_id: NS00086477
smiles: C[NH+](C)CC[NH+](Cc1ccccc1)c2ccccn2.[O-]C(=O)\C=C/C(=O)[O-]
inchi:
InChI=1/C16H21N3.C4H4O4/c1-18(2)12-13-19(16-10-6-7-11-17-16)14-15-8-4-3-5-9-15;5-3(6)1-2-4(7)8/h3-11H,12-14H2,1-2H3;1-2H,(H,5,6)(H,7,8)


name: (Z)-4-[3-(2-chloro-9H-thioxanthen-9-ylidene)propyl]piperazine-1-ethanol dihydrochloride
cas: 58045-23-1
formula: C22H25ClN2OS.2ClH
inchikey: LPWNZMIBFHMYMX-MHKBYHAFSA-N
norman_susdat_id: NS00086439
smiles: Cl.Cl.OCCN1CCN(CC\C=C/2\c3ccccc3Sc4ccc(Cl)cc24)CC1
inchi:
InChI=1/C22H25ClN2OS.2ClH/c23-17-7-8-22-20(16-17)18(19-4-1-2-6-21(19)27-22)5-3-9-24-10-12-25(13-11-24)14-15-26;;/h1-2,4-8,16,26H,3,9-15H2;2*1H


cas: 58049-96-0
chemspiderid: 84771
dtxsid: DTXSID9069217
formula: C22H25Cl1N6O6
inchikey: MVVWURWLNQHWMV-UHFFFAOYSA-N
norman_susdat_id: NS00033843
pubchem_cid: 93923
smiles: COCCN(CCOC)c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Cl)cc(cc1C#N)[N+](=O)[O-]
name:
Acetamide, N-[5-[bis(2-methoxyethyl)amino]-2-[(2-chloro-6-cyano-4-nitrophenyl)azo]-4-methoxyphenyl]-

inchi:
InChI=1S/C22H25ClN6O6/c1-14(30)25-18-11-20(28(5-7-33-2)6-8-34-3)21(35-4)12-19(18)26-27-22-15(13-24)9-16(29(31)32)10-17(22)23/h9-12H,5-8H2,1-4H3,(H,25,30)


name: 1H-Benzimidazole, 2-heptadecyl-
cas: 5805-27-6
chemspiderid: 72159
dtxsid: DTXSID4064008
formula: C24H40N2
inchikey: HBTSVVOLHPRTJA-UHFFFAOYSA-N
norman_susdat_id: NS00033844
pubchem_cid: 79868
smiles: CCCCCCCCCCCCCCCCCc1nc2c([nH]1)cccc2
inchi:
InChI=1S/C24H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24-25-22-19-17-18-20-23(22)26-24/h17-20H,2-16,21H2,1H3,(H,25,26)


name: Phenol, 2,4-bis(1,1,3,3-tetramethylbutyl)-
cas: 5806-72-4
chemspiderid: 1611
dtxsid: DTXSID8064010
formula: C22H38O1
inchikey: DNYCICZKXQGHBJ-UHFFFAOYSA-N
norman_susdat_id: NS00033849
pubchem_cid: 79870
smiles: CC(C)(C)CC(C)(C)c1cc(c(O)cc1)C(C)(C)CC(C)(C)C
inchi:
InChI=1S/C22H38O/c1-19(2,3)14-21(7,8)16-11-12-18(23)17(13-16)22(9,10)15-20(4,5)6/h11-13,23H,14-15H2,1-10H3


name: [4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]arsonic acid
cas: 5806-89-3
formula: C9H11AsN6O3
inchikey: VURSAWSSSICZRY-UHFFFAOYSA-N
norman_susdat_id: NS00081925
smiles: Nc1nc(N)nc(Nc2ccc(cc2)[As](=O)(O)O)n1
inchi:
InChI=1/C9H11AsN6O3/c11-7-14-8(12)16-9(15-7)13-6-3-1-5(2-4-6)10(17,18)19/h1-4H,(H2,17,18,19)(H5,11,12,13,14,15,16)


name: Sucrose dioctanoate
cas: 58064-47-4
dtxsid: DTXSID50973639
formula: C28H50O13
inchikey: YLMISLCUEUTFJN-AVONVRORSA-N
norman_susdat_id: NS00054222
pubchem_cid: 21116980
smiles: O=C(OC1C(OC(CO)C(O)C1O)OC2(OC(CO)C(O)C2OC(=O)CCCCCCC)CO)CCCCCCC
inchi:
InChI=1/C28H50O13/c1-3-5-7-9-11-13-20(32)38-25-24(36)22(34)18(15-29)37-27(25)41-28(17-31)26(23(35)19(16-30)40-28)39-21(33)14-12-10-8-6-4-2/h18-19,22-27,29-31,34-36H,3-17H2,1-2H3


name: Miltefosine
cas: 58066-85-6
chebiid: CHEBI:75283
chemspiderid: 3473
dtxsid: DTXSID7045942
formula: C21H47N1O4P1
inchikey: PQLXHQMOHUQAKB-UHFFFAOYSA-N
norman_susdat_id: NS00004313
pubchem_cid: 3599
smiles: CCCCCCCCCCCCCCCCOP([O-])(=O)OCC[N+](C)(C)C
inchi:
InChI=1S/C21H46NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-25-27(23,24)26-21-19-22(2,3)4/h5-21H2,1-4H3


name: C.I. Pigment Red 200, calcium salt
cas: 58067-05-3
chemspiderid: 7850570
dtxsid: DTXSID8069222
formula: C19H15Cl1N2O6S1
inchikey: XFBYVZFACYDNIR-UHFFFAOYSA-L
norman_susdat_id: NS00020671
pubchem_cid: NA
smiles: [Ca++].CCc1cc(N/N=C/2C(=O)C=C(C(=O)[O-])c3ccccc23)c(cc1Cl)S(=O)(=O)[O-]
inchi:
InChI=1S/C19H15ClN2O6S/c1-2-10-7-15(17(9-14(10)20)29(26,27)28)21-22-18-12-6-4-3-5-11(12)13(19(24)25)8-16(18)23/h3-9,21H,2H2,1H3,(H,24,25)(H,26,27,28)/b22-18-


name: Tetraethyl 2,2'-[methylenebis(4,1-phenyleneiminocarbonyl)]bismalonate
cas: 58067-54-2
formula: C29H34N2O10
inchikey: NLFAPZSBRVCHGP-UHFFFAOYSA-N
norman_susdat_id: NS00052919
pubchem_cid: 93932
smiles: O=C(OCC)C(C(=O)OCC)C(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)C(C(=O)OCC)C(=O)OCC
inchi:
InChI=1/C29H34N2O10/c1-5-38-26(34)22(27(35)39-6-2)24(32)30-20-13-9-18(10-14-20)17-19-11-15-21(16-12-19)31-25(33)23(28(36)40-7-3)29(37)41-8-4/h9-16,22-23H,5-8,17H2,1-4H3,(H,30,32)(H,31,33)


name: Quaternium-52
cas: 58069-11-7
chemspiderid: 152497
dtxsid: DTXSID20206789
formula: C30H64N1O6
inchikey: GUVQMDDJQBSOPY-UHFFFAOYSA-N
norman_susdat_id: NS00014030
pubchem_cid: 174877
smiles: CCCCCCCCCCCCCCCCCC[N+](CCOCCO)(CCOCCO)CCOCCO.[O-][P]([O-])([O-])=O
inchi:
InChI=1S/C30H64NO6.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31(19-25-35-28-22-32,20-26-36-29-23-33)21-27-37-30-24-34;1-5(2,3)4/h32-34H,2-30H2,1H3;(H3,1,2,3,4)/q+1;/p-3


name: Benzenesulfonyl chloride, 4-(dodecyloxy)-
cas: 58076-34-9
chemspiderid: 84781
dtxsid: DTXSID1074628
formula: C18H29Cl1O3S1
inchikey: VHNTZBNCKFRVAD-UHFFFAOYSA-N
norman_susdat_id: NS00033855
pubchem_cid: 93935
smiles: CCCCCCCCCCCCOc1ccc(cc1)S(=O)(=O)Cl
inchi:
InChI=1S/C18H29ClO3S/c1-2-3-4-5-6-7-8-9-10-11-16-22-17-12-14-18(15-13-17)23(19,20)21/h12-15H,2-11,16H2,1H3


name: p-nitrophenyl N2-(tert-butoxycarbonyl)-N6-[[2-(methylsulphonyl)ethoxy]carbonyl]-L-lysinate
cas: 58082-65-8
dtxsid: DTXSID20973661
formula: C21H32N3O10S
inchikey: AMMIWIHTJFNQDK-KRWDZBQOSA-N
norman_susdat_id: NS00053446
pubchem_cid: 93938
smiles: O=C(OCCS(=O)(=O)C)NCCCCC(NC(=O)OC(C)(C)C)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-]
inchi:
InChI=1/C21H31N3O10S/c1-21(2,3)34-20(27)23-17(18(25)33-16-10-8-15(9-11-16)24(28)29)7-5-6-12-22-19(26)32-13-14-35(4,30)31/h8-11,17H,5-7,12-14H2,1-4H3,(H,22,26)(H,23,27)


name: 9,10-Didehydro-6-methylergolin-8alpha-amine
cas: 58084-48-3
chemspiderid: 8832993
dtxsid: DTXSID80206806
formula: C15H17N3
inchikey: YFPQZLKFHUVMEA-IINYFYTJSA-N
norman_susdat_id: NS00033857
pubchem_cid: 10657638
smiles: CN1CC(N)C=C2C1Cc1c[nH]c3cccc2c13
inchi:
InChI=1S/C15H17N3/c1-18-8-10(16)6-12-11-3-2-4-13-15(11)9(7-17-13)5-14(12)18/h2-4,6-7,10,14,17H,5,8,16H2,1H3/t10-,14+/m0/s1


name: Methanone, (2-hydroxy-5-nonylphenyl)phenyl-
cas: 58085-73-7
chemspiderid: 84785
dtxsid: DTXSID3069225
formula: C22H28O2
inchikey: BHBZCWUKTDYMJM-UHFFFAOYSA-N
norman_susdat_id: NS00033858
pubchem_cid: 93939
smiles: CCCCCCCCCc1cc(C(=O)c2ccccc2)c(O)cc1
inchi:
InChI=1S/C22H28O2/c1-2-3-4-5-6-7-9-12-18-15-16-21(23)20(17-18)22(24)19-13-10-8-11-14-19/h8,10-11,13-17,23H,2-7,9,12H2,1H3


name: 3,5-Dinonylphenol
cas: 58085-76-0
chemspiderid: 84786
dtxsid: DTXSID40206807
formula: C24H42O1
inchikey: LAVFEHMYWVKTNW-UHFFFAOYSA-N
norman_susdat_id: NS00022414
pubchem_cid: 93940
smiles: CCCCCCCCCc1cc(CCCCCCCCC)cc(O)c1
inchi:
InChI=1S/C24H42O/c1-3-5-7-9-11-13-15-17-22-19-23(21-24(25)20-22)18-16-14-12-10-8-6-4-2/h19-21,25H,3-18H2,1-2H3


name: 2-fluoro-1-methylpyridinium toluene-p-sulphonate
cas: 58086-67-2
formula: C7H7O3S.C6H7FN
inchikey: HQWDKLAIDBOLFE-UHFFFAOYSA-M
norman_susdat_id: NS00086442
smiles: Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]2ccccc2F
inchi:
InChI=1/C7H8O3S.C6H7FN/c1-6-2-4-7(5-3-6)11(8,9)10;1-8-5-3-2-4-6(8)7/h2-5H,1H3,(H,8,9,10);2-5H,1H3/q;+1/p-1


name: 2-[4-(Diethylamino)-2-hydroxybenzoyl]benzoic acid
cas: 5809-23-4
chemspiderid: 72169
dtxsid: DTXSID4027604
formula: C18H19N1O4
inchikey: FQNKTJPBXAZUGC-UHFFFAOYSA-N
norman_susdat_id: NS00033859
pubchem_cid: 79878
smiles: CCN(CC)c1ccc(C(=O)c2ccccc2C(=O)O)c(O)c1
inchi:
InChI=1S/C18H19NO4/c1-3-19(4-2)12-9-10-15(16(20)11-12)17(21)13-7-5-6-8-14(13)18(22)23/h5-11,20H,3-4H2,1-2H3,(H,22,23)


cas: 58090-15-6
formula: C31H32N2O2S2
inchikey: CCVIWMKJHOBSDI-UHFFFAOYSA-N
norman_susdat_id: NS00052921
pubchem_cid: 93942
smiles: O=C1C(SC(=S)N1C2CCCCC2)=C(C=CC=C3OC(C=4C=CC=CC4)=C(C=5C=CC=CC5)N3CC)C
name:
3-cyclohexyl-5-[4-(3-ethyl-4,5-diphenyloxazol-2(3H)-ylidene)-1-methylbut-2-enylidene]-2-thioxothiazolidin-4-one

inchi:
InChI=1/C31H32N2O2S2/c1-3-32-26(35-28(24-17-9-5-10-18-24)27(32)23-15-7-4-8-16-23)21-13-14-22(2)29-30(34)33(31(36)37-29)25-19-11-6-12-20-25/h4-5,7-10,13-18,21,25H,3,6,11-12,19-20H2,1-2H3


cas: 58090-24-7
formula: C42H82O5
norman_susdat_id: NS00101770
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol (3:1), dioctadecanoate


name: 4-benzyl-4-methylmorpholinium methyl sulphate
cas: 58093-31-5
dtxsid: DTXSID50973679
formula: C12H18NO
inchikey: HDVNCKUQSNFPFZ-UHFFFAOYSA-M
norman_susdat_id: NS00053465
pubchem_cid: 16205155
smiles: O=S(=O)([O-])OC.O1CC[N+](C)(CC=2C=CC=CC2)CC1
inchi:
InChI=1/C12H18NO.CH4O4S/c1-13(7-9-14-10-8-13)11-12-5-3-2-4-6-12;1-5-6(2,3)4/h2-6H,7-11H2,1H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 58098-20-7
dtxsid: DTXSID90206817
formula: C17H30O6S3Sn2
inchikey: CUVFYNWUDYVKHP-UHFFFAOYSA-H
norman_susdat_id: NS00054244
pubchem_cid: 16684080
smiles: O=C1O[Sn](OC(=O)CCS[Sn]2(OC(=O)CCS2)CCCC)(SCC1)CCCC
name:
2-butyl-2-[[3-[(2-butyldihydro-6-oxo-4H-1,3,2-oxathiastannin-2-yl)oxy]-3-oxopropyl]thio]dihydro-6H-1,3,2-oxathiastannin-6-one

inchi:
InChI=1/2C4H9.3C3H6O2S.2Sn/c2*1-3-4-2;3*4-3(5)1-2-6;;/h2*1,3-4H2,2H3;3*6H,1-2H2,(H,4,5);;/q;;;;;2*+3/p-6/rC17H30O6S3Sn2/c1-3-5-13-27(21-15(18)7-10-24-27)22-16(19)8-11-25-28(14-6-4-2)23-17(20)9-12-26-28/h3-14H2,1-2H3


name: Debrisoquine sulphate
cas: 581-88-4
formula: C10H13N3.1/2H2O4S
inchikey: SVYNLIRHKQCPNE-UHFFFAOYSA-N
norman_susdat_id: NS00080403
smiles: NC(=N)N1CCc2ccccc2C1.OS(=O)(=O)O
inchi:
InChI=1/C10H13N3.H2O4S/c11-10(12)13-6-5-8-3-1-2-4-9(8)7-13;1-5(2,3)4/h1-4H,5-7H2,(H3,11,12);(H2,1,2,3,4)


name: 2-Chloro-N,N-dimethylacetoacetamide
cas: 5810-07-1
chemspiderid: 1644398
dtxsid: DTXSID30275906
formula: C20H15N3O5
inchikey: DUKFVQOOMKTADZ-ZGCWVLQWSA-N
norman_susdat_id: NS00004220
pubchem_cid: 2201931
smiles: Cc1ccc(cc1)N1C(=O)NC(=O)C(=CC=Cc2ccccc2[N+]([O-])=O)C1=O
inchi:
InChI=1S/C20H15N3O5/c1-13-9-11-15(12-10-13)22-19(25)16(18(24)21-20(22)26)7-4-6-14-5-2-3-8-17(14)23(27)28/h2-12H,1H3,(H,21,24,26)/b6-4+,16-7-


name: 5-Azido-2-((4-methoxyphenyl)amino)benzoic acid
cas: 58101-30-7
chemspiderid: 2298898
dtxsid: DTXSID30206831
formula: C14H12N4O3
inchikey: PESQASIOCQOBEK-UHFFFAOYSA-N
norman_susdat_id: NS00033861
pubchem_cid: 3034455
smiles: COc1ccc(Nc2c(cc(cc2)N=[N+]=[N-])C(=O)O)cc1
inchi:
InChI=1S/C14H12N4O3/c1-21-11-5-2-9(3-6-11)16-13-7-4-10(17-18-15)8-12(13)14(19)20/h2-8,16H,1H3,(H,19,20)


cas: 58104-34-0
chemspiderid: 150041
dtxsid: DTXSID3069227
formula: C40H35N3
inchikey: NHACXHBSASNCCK-UHFFFAOYSA-N
norman_susdat_id: NS00020845
pubchem_cid: 171636
smiles: Cc1cc(Nc2ccc(cc2)C(=C2C=CC(=Nc3cccc(C)c3)C=C2)c2ccc(Nc3cccc(C)c3)cc2)ccc1
name:
Benzenamine, N-[4-[bis[4-[(3-methylphenyl)amino]phenyl]methylene]-2,5-cyclohexadien-1-ylidene]-3-methyl-

inchi:
InChI=1S/C40H35N3/c1-28-7-4-10-37(25-28)41-34-19-13-31(14-20-34)40(32-15-21-35(22-16-32)42-38-11-5-8-29(2)26-38)33-17-23-36(24-18-33)43-39-12-6-9-30(3)27-39/h4-27,41-42H,1-3H3


name: 2-[[4-[(2-cyanoethyl)methylamino]phenyl]azo]-N-cyclohexylbenzenesulphonamide
cas: 58104-35-1
formula: C22H27N5O2S
inchikey: XIILVEDWEWLFPP-UHFFFAOYSA-N
norman_susdat_id: NS00053492
pubchem_cid: 93953
smiles: N#CCCN(C1=CC=C(N=NC=2C=CC=CC2S(=O)(=O)NC3CCCCC3)C=C1)C
inchi:
InChI=1/C22H27N5O2S/c1-27(17-7-16-23)20-14-12-18(13-15-20)24-25-21-10-5-6-11-22(21)30(28,29)26-19-8-3-2-4-9-19/h5-6,10-15,19,26H,2-4,7-9,17H2,1H3


name: N-methyl-N-[4-(1H-1,2,4-triazol-3-ylazo)phenyl]benzylamine
cas: 58104-38-4
dtxsid: DTXSID8069228
formula: NA
inchikey: FZGDYRXFIQRRDI-UHFFFAOYSA-N
norman_susdat_id: NS00053436
pubchem_cid: 93954
smiles: CN(Cc1ccccc1)c2ccc(cc2)N=Nc3ncnn3
inchi:
InChI=1/C16H16N6/c1-22(11-13-5-3-2-4-6-13)15-9-7-14(8-10-15)19-21-16-17-12-18-20-16/h2-10,12H,11H2,1H3,(H,17,18,20)


name: Ethanol, 2,2'-[[3-chloro-4-[(2-chloro-4-nitrophenyl)azo]phenyl]imino]bis-
cas: 58104-46-4
chemspiderid: 84795
dtxsid: DTXSID3069229
formula: C16H16Cl2N4O4
inchikey: BUXMFCOMCSLYMY-UHFFFAOYSA-N
norman_susdat_id: NS00033864
pubchem_cid: 93955
smiles: OCCN(CCO)c1cc(Cl)c(cc1)N=Nc1c(Cl)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C16H16Cl2N4O4/c17-13-9-11(21(5-7-23)6-8-24)1-3-15(13)19-20-16-4-2-12(22(25)26)10-14(16)18/h1-4,9-10,23-24H,5-8H2/b20-19+


name: Propanenitrile, 3-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl][2-(2-cyanoethoxy)ethyl]amino]-
cas: 58104-49-7
chemspiderid: 84796
dtxsid: DTXSID2069230
formula: C20H19Cl1N6O3
inchikey: FWUINTWYWXWQKA-UHFFFAOYSA-N
norman_susdat_id: NS00033865
pubchem_cid: 93956
smiles: [O-][N+](=O)c1cc(Cl)c(cc1)N=Nc1ccc(cc1)N(CCOCCC#N)CCC#N
inchi:
InChI=1S/C20H19ClN6O3/c21-19-15-18(27(28)29)7-8-20(19)25-24-16-3-5-17(6-4-16)26(11-1-9-22)12-14-30-13-2-10-23/h3-8,15H,1-2,11-14H2/b25-24+


name: 2-Naphthalenesulfonamide, 6-hydroxy-N-(2-hydroxyethyl)-N-methyl-5-[[4-(phenylazo)phenyl]azo]-
cas: 58104-55-5
dtxsid: DTXSID7069231
formula: C25H23N5O4S
inchikey: JHXOIDWDLSOQJD-UHFFFAOYSA-N
norman_susdat_id: NS00052977
pubchem_cid: 93957
smiles: O=S(=O)(C1=CC=C2C(C=CC(O)=C2N=NC3=CC=C(N=NC=4C=CC=CC4)C=C3)=C1)N(C)CCO
inchi:
InChI=1/C25H23N5O4S/c1-30(15-16-31)35(33,34)22-12-13-23-18(17-22)7-14-24(32)25(23)29-28-21-10-8-20(9-11-21)27-26-19-5-3-2-4-6-19/h2-14,17,31-32H,15-16H2,1H3


name: N-(4-Methyl-3-nitrophenyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
cas: 581076-60-0
chemspiderid: 21896823
dtxsid: DTXSID30652652
formula: C20H24N4O3
inchikey: GHWOXPOJAZVXAK-UHFFFAOYSA-N
norman_susdat_id: NS00009237
pubchem_cid: 29984087
smiles: CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(c2)[N+]([O-])=O)CC1
inchi:
InChI=1S/C20H24N4O3/c1-15-3-8-18(13-19(15)24(26)27)21-20(25)17-6-4-16(5-7-17)14-23-11-9-22(2)10-12-23/h3-8,13H,9-12,14H2,1-2H3,(H,21,25)


name: Octyl (3,5-bis(tert-butyl)-4-hydroxyphenyl)carbamate
cas: 58114-34-4
chemspiderid: 84800
dtxsid: DTXSID90206837
formula: C23H39N1O3
inchikey: NTTIENRNNNJCHQ-UHFFFAOYSA-N
norman_susdat_id: NS00033867
pubchem_cid: 93961
smiles: CCCCCCCCOC(=O)Nc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
inchi:
InChI=1S/C23H39NO3/c1-8-9-10-11-12-13-14-27-21(26)24-17-15-18(22(2,3)4)20(25)19(16-17)23(5,6)7/h15-16,25H,8-14H2,1-7H3,(H,24,26)


name: Aurantiamide
cas: 58115-31-4
chemspiderid: 161599
dtxsid: DTXSID90893261
formula: C25H26N2O3
inchikey: KSVKECXWDNCRTM-GOTSBHOMSA-N
norman_susdat_id: NS00094929
pubchem_cid: 185904
smiles: C1=CC=C(C=C1)C[C@@H](CO)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3
inchi:
InChI=1S/C25H26N2O3/c28-18-22(16-19-10-4-1-5-11-19)26-25(30)23(17-20-12-6-2-7-13-20)27-24(29)21-14-8-3-9-15-21/h1-15,22-23,28H,16-18H2,(H,26,30)(H,27,29)/t22-,23-/m0/s1


name: Benzyl (S)-(5,6-diamino-6-oxohexyl)carbamate monohydrochloride
cas: 58117-53-6
chemspiderid: 4483786
dtxsid: DTXSID20206840
formula: C14H21N3O3
inchikey: QSRGTPRDCDSKAY-YDALLXLXSA-N
norman_susdat_id: NS00033868
pubchem_cid: 92004661
smiles: [Cl-].N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)N.[H+]
inchi:
InChI=1S/C14H21N3O3/c15-12(13(16)18)8-4-5-9-17-14(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H2,16,18)(H,17,19)/t12-/m0/s1


name: Isepamicin
cas: 58152-03-7
chemspiderid: 16735864
dtxsid: DTXSID1048380
formula: C22H43N5O12
inchikey: UDIIBEDMEYAVNG-LZSNBCOPSA-N
norman_susdat_id: NS00011548
pubchem_cid: 20054948
inchi:
InChI=1S/C22H43N5O12/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34)/t7-,8+,9?,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-/m0/s1

smiles:
C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N)NC(=O)C(CN)O)O


name: 10,10'-(1,2-ethanediylidene)bisanthracen-9(10H)-one
cas: 5816-02-4
dtxsid: DTXSID70206890
formula: C30H18O2
inchikey: JDBNNTPOYYRPHV-UHFFFAOYSA-N
norman_susdat_id: NS00046329
pubchem_cid: 111099
smiles: O=C1C=2C=CC=CC2C(=CC=C3C=4C=CC=CC4C(=O)C=5C=CC=CC53)C=6C=CC=CC16
inchi:
InChI=1/C30H18O2/c31-29-25-13-5-1-9-19(25)23(20-10-2-6-14-26(20)29)17-18-24-21-11-3-7-15-27(21)30(32)28-16-8-4-12-22(24)28/h1-18H


name: 4-[1-[[(2,4-dichlorophenyl)amino]carbonyl]-3,3-dimethyl-2-oxobutoxy]benzoic acid
cas: 58161-93-6
dtxsid: DTXSID90866677
formula: C20H19Cl2NO5
inchikey: SJDRWLQBNZCZBG-UHFFFAOYSA-N
norman_susdat_id: NS00052993
pubchem_cid: 93969
smiles: O=C(O)C1=CC=C(OC(C(=O)NC2=CC=C(Cl)C=C2Cl)C(=O)C(C)(C)C)C=C1
inchi:
InChI=1/C20H19Cl2NO5/c1-20(2,3)17(24)16(28-13-7-4-11(5-8-13)19(26)27)18(25)23-15-9-6-12(21)10-14(15)22/h4-10,16H,1-3H3,(H,23,25)(H,26,27)


name: 5-[[(1-hydroxy-2-naphthyl)carbonyl][[3-[(1-oxooctadecyl)amino]phenyl]methyl]amino]phthalic acid
cas: 58162-63-3
dtxsid: DTXSID70973737
formula: C44H54N2O7
inchikey: DJMVLMJDUCYONC-UHFFFAOYSA-N
norman_susdat_id: NS00053450
pubchem_cid: 21116982
smiles: O=C(O)C1=CC=C(C=C1C(=O)O)N(C(=O)C=2C=CC=3C=CC=CC3C2O)CC=4C=CC=C(C4)NC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C44H54N2O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-40(47)45-34-22-19-20-32(29-34)31-46(35-26-28-37(43(50)51)39(30-35)44(52)53)42(49)38-27-25-33-21-17-18-23-36(33)41(38)48/h17-23,25-30,48H,2-16,24,31H2,1H3,(H,45,47)(H,50,51)(H,52,53)


name: Antimony trilactate
cas: 58164-88-8
formula: C3H6O3.1/3Sb
inchikey: BVLLWARQECAOKG-UHFFFAOYSA-K
norman_susdat_id: NS00086489
smiles: [SbH3+3].CC(O)C(=O)[O-].CC(O)C(=O)[O-].CC(O)C(=O)[O-]
inchi:
InChI=1/3C3H6O3.Sb.3H/c3*1-2(4)3(5)6;;;;/h3*2,4H,1H3,(H,5,6);;;;/q;;;+3;;;/p-3/r3C3H6O3.H3Sb/c3*1-2(4)3(5)6;/h3*2,4H,1H3,(H,5,6);1H3/q;;;+3/p-3


name: 6-O-a-D-glucopyranosyl-a-D-fructofuranose
cas: 58166-27-1
chebiid: CHEBI:47998
formula: C12H22O11
inchikey: PVXPPJIGRGXGCY-DJHAAKORSA-N
norman_susdat_id: NS00052994
pubchem_cid: 2724334
smiles: OCC1OC(OCC2OC(O)(CO)C(O)C2O)C(O)C(O)C1O
inchi:
InChI=1/C12H22O11/c13-1-4-6(15)8(17)9(18)11(22-4)21-2-5-7(16)10(19)12(20,3-14)23-5/h4-11,13-20H,1-3H2


name: cafedrine
cas: 58166-83-9
chemspiderid: 64784
formula: C18H23N5O3
inchikey: UJSKUDDDPKGBJY-UHFFFAOYSA-N
norman_susdat_id: NS00003637
pubchem_cid: 71740
smiles: CC(NCCn1cnc2n(C)c(=O)n(C)c(=O)c12)C(O)c1ccccc1
inchi:
InChI=1S/C18H23N5O3/c1-12(15(24)13-7-5-4-6-8-13)19-9-10-23-11-20-16-14(23)17(25)22(3)18(26)21(16)2/h4-8,11-12,15,19,24H,9-10H2,1-3H3


name: Tandamine
cas: 58167-78-5
dtxsid: DTXSID70866094
formula: C18H26N2S
inchikey: BRPOADLGOFPKKJ-SFHVURJKSA-N
norman_susdat_id: NS00068810
smiles: CCn1c2c(c3ccccc31)CCS[C@@]2(C)CCN(C)C
inchi:
InChI=1S/C18H26N2S/c1-5-20-16-9-7-6-8-14(16)15-10-13-21-18(2,17(15)20)11-12-19(3)4/h6-9H,5,10-13H2,1-4H3/t18-/m0/s1


name: Lithium tetra-1H-pyrrol-1-ylborate(1-)
cas: 58179-67-2
formula: C16H16BN4.Li
inchikey: UTQCYTAXMDLCNQ-UHFFFAOYSA-N
norman_susdat_id: NS00087213
smiles: [Li+].c1ccn(c1)[B-](n2cccc2)(n3cccc3)n4cccc4
inchi:
InChI=1/C16H16BN4.Li/c1-2-10-18(9-1)17(19-11-3-4-12-19,20-13-5-6-14-20)21-15-7-8-16-21;/h1-16H;/q-1;+1


name: Methantheline
cas: 5818-17-7
chebiid: CHEBI:6817
chemspiderid: 3955
dtxsid: DTXSID7046964
formula: C21H26N1O3
inchikey: GZHFODJQISUKAY-UHFFFAOYSA-N
norman_susdat_id: NS00001407
pubchem_cid: 4097
smiles: CC[N+](C)(CC)CCOC(=O)C1C2=CC=CC=C2OC2=C1C=CC=C2
inchi:
InChI=1S/C21H26NO3/c1-4-22(3,5-2)14-15-24-21(23)20-16-10-6-8-12-18(16)25-19-13-9-7-11-17(19)20/h6-13,20H,4-5,14-15H2,1-3H3/q+1


cas: 58180-21-5
dtxsid: DTXSID70882698
norman_susdat_id: NS00111320
name:
2-Propenoic acid, esters, 2-methyl-, 2-ethylhexyl ester, polymer with 4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl 2-propenoate and oxiranylmethyl 2-methyl-2-propenoate


name: Bixafen
cas: 581809-46-3
chebiid: CHEBI:83106
chemspiderid: 9609314
dtxsid: DTXSID6058134
formula: C18H12Cl2F3N3O1
inchikey: LDLMOOXUCMHBMZ-UHFFFAOYSA-N
norman_susdat_id: NS00007333
pubchem_cid: 11434448
smiles: Cn1cc(C(=O)Nc2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)c(n1)C(F)F
inchi:
InChI=1S/C18H12Cl2F3N3O/c1-26-8-12(16(25-26)17(22)23)18(27)24-15-5-3-10(21)7-11(15)9-2-4-13(19)14(20)6-9/h2-8,17H,1H3,(H,24,27)


cas: 58182-50-6
norman_susdat_id: NS00113497
name:
1,3-Isobenzofurandione, polymer with 1,2-ethanediol, 2,5-furandione, 2,2-oxybis[ethanol] and 1,2-propanediol


name: N,N-dibenzyl-3'-methyl-2,2'-spirobi[2H-1-benzopyran]-7-amine
cas: 58186-51-9
dtxsid: DTXSID60973746
formula: C32H27NO2
inchikey: ZRJAEUHDMOOYTC-UHFFFAOYSA-N
norman_susdat_id: NS00053495
pubchem_cid: 93977
smiles: O1C=2C=CC=CC2C=C(C)C13OC=4C=C(C=CC4C=C3)N(CC=5C=CC=CC5)CC=6C=CC=CC6
inchi:
InChI=1/C32H27NO2/c1-24-20-28-14-8-9-15-30(28)34-32(24)19-18-27-16-17-29(21-31(27)35-32)33(22-25-10-4-2-5-11-25)23-26-12-6-3-7-13-26/h2-21H,22-23H2,1H3


name: N,N-diethylspiro[2H-1-benzopyran-2,3'-[3H]naphtho[2,1-b]pyran]-7-amine
cas: 58186-56-4
dtxsid: DTXSID20973747
formula: C25H23NO2
inchikey: BOGTVUXFYUTKBK-UHFFFAOYSA-N
norman_susdat_id: NS00053516
pubchem_cid: 93978
smiles: O1C2=CC=C3C=CC=CC3=C2C=CC14OC=5C=C(C=CC5C=C4)N(CC)CC
inchi:
InChI=1/C25H23NO2/c1-3-26(4-2)20-11-9-19-13-15-25(28-24(19)17-20)16-14-22-21-8-6-5-7-18(21)10-12-23(22)27-25/h5-17H,3-4H2,1-2H3


name: (2-Naphthalenyl)perfluorobutanamide
cas: 582-00-3
dtxsid: DTXSID00897033
formula: C14H8F7NO
inchikey: FJLOSCMSQHIRBF-UHFFFAOYSA-N
norman_susdat_id: NS00109093
smiles: FC(F)(F)C(F)(F)C(F)(F)C(=O)NC1=CC2=CC=CC=C2C=C1
inchi:
InChI=1S/C14H8F7NO/c15-12(16,13(17,18)14(19,20)21)11(23)22-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H,22,23)


name: 5-(2-hydroxyethyl)-3-(4-hydroxy-2-methylpyrimidin-5-ylmethyl)-4-methylthiazolium chloride
cas: 582-36-5
chebiid: CHEBI:78246
formula: C12H16N3O2S
inchikey: RNUAEUWXRHCGKX-UHFFFAOYSA-N
norman_susdat_id: NS00042525
pubchem_cid: 8682
smiles: [Cl-].OC1=NC(=NC=C1C[N+]2=CSC(=C2C)CCO)C
inchi:
InChI=1/C12H15N3O2S.ClH/c1-8-11(3-4-16)18-7-15(8)6-10-5-13-9(2)14-12(10)17;/h5,7,16H,3-4,6H2,1-2H3;1H


name: 2-chloro-N-[2-(hexadecyloxy)-5-[(methylamino)sulphonyl]phenyl]-4,4-dimethyl-3-oxovaleramide
cas: 58202-07-6
dtxsid: DTXSID60973766
formula: C30H51ClN2O5S
inchikey: SJAQFWWPZHJRPU-UHFFFAOYSA-N
norman_susdat_id: NS00054293
pubchem_cid: 93984
smiles: O=C(NC1=CC(=CC=C1OCCCCCCCCCCCCCCCC)S(=O)(=O)NC)C(Cl)C(=O)C(C)(C)C
inchi:
InChI=1/C30H51ClN2O5S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-38-26-21-20-24(39(36,37)32-5)23-25(26)33-29(35)27(31)28(34)30(2,3)4/h20-21,23,27,32H,6-19,22H2,1-5H3,(H,33,35)


cas: 58204-91-4
formula: C23H28ClN6O5
inchikey: IXXHZTCXWOJKTR-UHFFFAOYSA-N
norman_susdat_id: NS00053452
pubchem_cid: 93985
smiles: N#CC1=CC(=CC(Cl)=C1N=NC2=CC=C(C=C2NC(=O)C)N(CCOC)CCC(OC)C)[N+](=O)[O-]
name:
N-[2-[(2-chloro-6-cyano-4-nitrophenyl)azo]-5-[(3-methoxybutyl)(2-methoxyethyl)amino]phenyl]acetamide

inchi:
InChI=1/C23H27ClN6O5/c1-15(35-4)7-8-29(9-10-34-3)18-5-6-21(22(13-18)26-16(2)31)27-28-23-17(14-25)11-19(30(32)33)12-20(23)24/h5-6,11-13,15H,7-10H2,1-4H3,(H,26,31)


name: Estra-1,3,5(10),7-tetraene-3,17a-diol 17-acetate
cas: 58212-86-5
dtxsid: DTXSID90973779
formula: C20H24O3
inchikey: CCPTXKVXEUQMCP-MDNKFWRPSA-N
norman_susdat_id: NS00054294
pubchem_cid: 11823110
smiles: O=C(OC1CCC2C3=CCC4=CC(O)=CC=C4C3CCC12C)C
inchi:
InChI=1/C20H24O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4-6,11,16,18-19,22H,3,7-10H2,1-2H3


name: 6-[(3-chlorophenyl)amino]-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione
cas: 58221-90-2
chemspiderid: 1422633
dtxsid: DTXSID20365325
formula: C23H15Cl1N2O2
inchikey: IXEMIDNPWNMESH-UHFFFAOYSA-N
norman_susdat_id: NS00033886
pubchem_cid: 1824675
smiles: Cn1c2ccc(c3c2c(cc1=O)-c4ccccc4C3=O)Nc5cccc(c5)Cl
inchi:
InChI=1S/C23H15ClN2O2/c1-26-19-10-9-18(25-14-6-4-5-13(24)11-14)22-21(19)17(12-20(26)27)15-7-2-3-8-16(15)23(22)28/h2-12,25H,1H3


name: 4-dodecyl-4-methylmorpholinium methyl sulphate
cas: 58226-73-6
dtxsid: DTXSID60206960
formula: C17H36NO
inchikey: ZODQGBRGPZSUOJ-UHFFFAOYSA-M
norman_susdat_id: NS00053482
pubchem_cid: 3085137
smiles: O=S(=O)([O-])OC.O1CC[N+](C)(CC1)CCCCCCCCCCCC
inchi:
InChI=1/C17H36NO.CH4O4S/c1-3-4-5-6-7-8-9-10-11-12-13-18(2)14-16-19-17-15-18;1-5-6(2,3)4/h3-17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 58228-05-0
dtxsid: DTXSID2095029
norman_susdat_id: NS00113557
name:
Isocyanic acid, polymethylenepolyphenylene ester, polymer with 2-methyloxirane polymer with oxirane ether with 1,2,3-propanetriol (3:1)


name: 6-Amino-2,3-dihydro-2-methyl-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid
cas: 58232-39-6
chemspiderid: 84829
dtxsid: DTXSID10206970
formula: C13H10N2O5S1
inchikey: TWYFYMSPRMAKNI-UHFFFAOYSA-N
norman_susdat_id: NS00033888
pubchem_cid: 93992
smiles: Cn1c(=O)c2cc(c(N)c3cccc(c1=O)c23)S(=O)(=O)O
inchi:
InChI=1S/C13H10N2O5S/c1-15-12(16)7-4-2-3-6-10(7)8(13(15)17)5-9(11(6)14)21(18,19)20/h2-5H,14H2,1H3,(H,18,19,20)


cas: 58233-18-4
dtxsid: DTXSID70973792
formula: C15H16N4O6S2
inchikey: CIFZTJFBDLIEOW-GWCFXTLKSA-N
norman_susdat_id: NS00053537
pubchem_cid: 93993
smiles: O=C(O)C1=C(COC(=O)C)CSC2N1C(=O)C2NC(=O)CC=3N=C(SC3)N
name:
(6R-trans)-3-(acetoxymethyl)-7-[(2-aminothiazol-4-yl)acetamido]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

inchi:
InChI=1/C15H16N4O6S2/c1-6(20)25-3-7-4-26-13-10(12(22)19(13)11(7)14(23)24)18-9(21)2-8-5-27-15(16)17-8/h5,10,13H,2-4H2,1H3,(H2,16,17)(H,18,21)(H,23,24)


name: Sodium O,O'-diisopentyl dithiophosphate
cas: 58237-07-3
formula: C10H23O2PS2.Na
inchikey: XXCCIECCJZSNGT-UHFFFAOYSA-M
norman_susdat_id: NS00086505
smiles: CC(C)CCOP(=S)(OCCC(C)C)S[Na]
inchi:
InChI=1/C10H23O2PS2.Na/c1-9(2)5-7-11-13(14,15)12-8-6-10(3)4;/h9-10H,5-8H2,1-4H3,(H,14,15);/q;+1/p-1/rC10H22NaO2PS2/c1-9(2)5-7-12-14(15,16-11)13-8-6-10(3)4/h9-10H,5-8H2,1-4H3


name: Dihydro-3-(isooctadecenyl)furan-2,5-dione
cas: 58239-72-8
formula: C22H38O3
inchikey: SJSHEXCFGWSYAD-UHFFFAOYSA-N
norman_susdat_id: NS00053483
pubchem_cid: 93997
smiles: O=C1OC(=O)C(C1)CCCCCCCCCC=CCCCCC(C)C
inchi:
InChI=1/C22H38O3/c1-19(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-20-18-21(23)25-22(20)24/h6,8,19-20H,3-5,7,9-18H2,1-2H3


cas: 58253-49-9
formula: C22H45NO2
norman_susdat_id: NS00101827
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[(9-octadecenylimino)di-2,1-ethanediyl]bis[.omega.-hydroxy-


name: 29-(Isooctylphenoxy)-3,6,9,12,15,18,21,24,27-nonaoxanonacosanol
cas: 58253-61-5
chemspiderid: 4955958
dtxsid: DTXSID80206982
formula: C34H62O11
inchikey: BYQFTVWRCSHPFM-UHFFFAOYSA-N
norman_susdat_id: NS00033891
pubchem_cid: 6453588
smiles: CC(C)CCCCCc1ccccc1OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C34H62O11/c1-32(2)8-4-3-5-9-33-10-6-7-11-34(33)45-31-30-44-29-28-43-27-26-42-25-24-41-23-22-40-21-20-39-19-18-38-17-16-37-15-14-36-13-12-35/h6-7,10-11,32,35H,3-5,8-9,12-31H2,1-2H3


name: 4-[(1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoronon-1-en-1-yl)oxy]benzoic acid
cas: 58253-65-9
chemspiderid: 57290012
dtxsid: DTXSID70699223
formula: C16H5F17O3
inchikey: RTJMWSSYXGAREM-UHFFFAOYSA-N
norman_susdat_id: NS00019145
pubchem_cid: 53426442
smiles: OC(=O)C1=CC=C(OC(F)=C(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/C16H5F17O3/c17-7(8(18)36-6-3-1-5(2-4-6)9(34)35)10(19,20)11(21,22)12(23,24)13(25,26)14(27,28)15(29,30)16(31,32)33/h1-4H,(H,34,35)/b8-7+


name: Bis(1-methylpentadecyl) adipate
cas: 58262-41-2
dtxsid: DTXSID20973823
formula: C38H74O4
inchikey: FRBBYVCAMAHYTI-UHFFFAOYSA-N
norman_susdat_id: NS00053540
pubchem_cid: 94010
smiles: O=C(OC(C)CCCCCCCCCCCCCC)CCCCC(=O)OC(C)CCCCCCCCCCCCCC
inchi:
InChI=1/C38H74O4/c1-5-7-9-11-13-15-17-19-21-23-25-27-31-35(3)41-37(39)33-29-30-34-38(40)42-36(4)32-28-26-24-22-20-18-16-14-12-10-8-6-2/h35-36H,5-34H2,1-4H3


cas: 58263-01-7
formula: C24H24N2O4.ClH
inchikey: ORUPNZYTIDBXQZ-CBXNJKKFSA-N
norman_susdat_id: NS00087240
smiles: Cl.COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](OC(=O)c5cccnc5)[C@@H]6Oc1c2[C@]46CCN3C
name:
(5a,6a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-yl pyridine-3-carboxylate hydrochloride

inchi:
InChI=1/C24H24N2O4.ClH/c1-26-11-9-24-16-6-8-19(29-23(27)15-4-3-10-25-13-15)22(24)30-21-18(28-2)7-5-14(20(21)24)12-17(16)26;/h3-8,10,13,16-17,19,22H,9,11-12H2,1-2H3;1H


name: Tetradodecylstannane
cas: 5827-56-5
dtxsid: DTXSID50206999
formula: C48H100Sn
inchikey: FDNSKZMGQQDYQB-UHFFFAOYSA-N
norman_susdat_id: NS00047064
pubchem_cid: NA
smiles: CCCCCCCCCCCC[Sn](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/4C12H25.Sn/c4*1-3-5-7-9-11-12-10-8-6-4-2;/h4*1,3-12H2,2H3;/rC48H100Sn/c1-5-9-13-17-21-25-29-33-37-41-45-49(46-42-38-34-30-26-22-18-14-10-6-2,47-43-39-35-31-27-23-19-15-11-7-3)48-44-40-36-32-28-24-20-16-12-8-4/h5-48H2,1-4H3


name: Chlorotridodecylstannane
cas: 5827-57-6
dtxsid: DTXSID30207000
formula: C36H75ClSn
inchikey: QMUWWEYTBMDCKJ-UHFFFAOYSA-M
norman_susdat_id: NS00046331
pubchem_cid: NA
smiles: Cl[Sn](CCCCCCCCCCCC)(CCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/3C12H25.ClH.Sn/c3*1-3-5-7-9-11-12-10-8-6-4-2;;/h3*1,3-12H2,2H3;1H;/q;;;;+1/p-1/rC36H75ClSn/c1-4-7-10-13-16-19-22-25-28-31-34-38(37,35-32-29-26-23-20-17-14-11-8-5-2)36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3


name: Dichlorodidodecylstannane
cas: 5827-58-7
dtxsid: DTXSID3064015
formula: C24H50Cl2Sn
inchikey: YREAYUWMESCMHJ-UHFFFAOYSA-L
norman_susdat_id: NS00047054
pubchem_cid: NA
smiles: Cl[Sn](Cl)(CCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/2C12H25.2ClH.Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;;;/h2*1,3-12H2,2H3;2*1H;/q;;;;+2/p-2/rC24H50Cl2Sn/c1-3-5-7-9-11-13-15-17-19-21-23-27(25,26)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3


cas: 58286-53-6
chebiid: CHEBI:167794
formula: C24H28O12
inchikey: MVTLXFDHKDVAIC-LQQBYVAQSA-N
norman_susdat_id: NS00097705
name:
[(1aS,1bS,2S,5aR,6S,6aS)-2-(beta-D-Glucopyranosyloxy)-6-hydroxy-1b,5a,6,6a-tetrahydrooxireno[4,5]cyclopenta[1,2-c]pyran-1a(2H)-yl]methyl (2E)-3-(4-hydroxyphenyl)acrylate

inchi:
InChI=1S/C24H28O12/c25-9-14-18(29)19(30)20(31)23(34-14)35-22-16-13(7-8-32-22)17(28)21-24(16,36-21)10-33-15(27)6-3-11-1-4-12(26)5-2-11/h1-8,13-14,16-23,25-26,28-31H,9-10H2/b6-3+/t13-,14-,16-,17+,18-,19+,20-,21+,22+,23+,24-/m1/s1

smiles:
C1=CO[C@H]([C@H]2[C@@H]1[C@@H]([C@H]3[C@@]2(O3)COC(=O)/C=C/C4=CC=C(C=C4)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O


name: 13-Docosenoic acid, 13,14-diiodo-, ethyl ester
cas: 583-87-9
chemspiderid: 2297330
dtxsid: DTXSID7073199
formula: C24H44I2O2
inchikey: WSQHMHDYNAVUJQ-UHFFFAOYSA-N
norman_susdat_id: NS00033920
pubchem_cid: 11425
smiles: CCCCCCCC/C(=C(I)/CCCCCCCCCCCC(=O)OCC)/I
inchi:
InChI=1S/C24H44I2O2/c1-3-5-6-7-13-16-19-22(25)23(26)20-17-14-11-9-8-10-12-15-18-21-24(27)28-4-2/h3-21H2,1-2H3/b23-22+


name: 2,2,3,3,4,4,5,5,6,6,7,7,7-Tridecafluoro-N-(2-hydroxyethyl)heptanamide
cas: 58301-28-3
dtxsid: DTXSID20896048
formula: C9H6F13NO2
inchikey: NRAFXYRAMCXRGD-UHFFFAOYSA-N
norman_susdat_id: NS00109727
smiles: OCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C9H6F13NO2/c10-4(11,3(25)23-1-2-24)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h24H,1-2H2,(H,23,25)


name: Sodium bis[4-hydroxy-3-[(2-hydroxy-1-naphthyl)azo]benzenesulphonamidato(2-)]cobaltate(1-)
cas: 58302-43-5
formula: C32H22CoN6O8S2.Na
inchikey: PHQDZULYJVQNFM-UHFFFAOYSA-J
norman_susdat_id: NS00087241
smiles: NS(=O)(=O)c1ccc(O[Na])c(c1)N=Nc2c(O[Co]3Oc4ccc(cc4N=Nc5c(O3)ccc6ccccc56)S(=O)(=O)N)ccc7ccccc27
inchi:
InChI=1/2C16H13N3O4S.Co.Na/c2*17-24(22,23)11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21;;/h2*1-9,20-21H,(H2,17,22,23);;/q;;+3;+1/p-4


name: Dihydroxy-isopropyl-methyl-blahone
cas: 583028-68-6
formula: C20H24O7
inchikey: OKRSVUYYCJPECG-LFGMFVMYSA-N
norman_susdat_id: NS00072560
pubchem_cid: 10317383
smiles: CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@@]1(O)C4=C(CC[C@]31C)C(=O)OC4)[C@@H]2O
inchi:
InChI=1S/C20H24O7/c1-8(2)18-12(26-18)13-20(27-13)16(3)5-4-9-10(7-24-14(9)21)17(16,23)6-11-19(20,25-11)15(18)22/h8,11-13,15,22-23H,4-7H2,1-3H3/t11-,12-,13-,15+,16-,17+,18-,19+,20+/m0/s1


name: EC-17
cas: 583037-91-6
dtxsid: DTXSID40207031
formula: C42H36N10O10S
inchikey: ZMTAPBHUSYTHBY-PMERELPUSA-N
norman_susdat_id: NS00073609
inchi:
InChI=1S/C42H36N10O10S/c43-33(55)12-11-30(38(58)59)52(37(57)20-1-3-21(4-2-20)46-18-23-19-47-35-34(48-23)36(56)51-40(44)50-35)14-13-45-41(63)49-22-5-8-27-26(15-22)39(60)62-42(27)28-9-6-24(53)16-31(28)61-32-17-25(54)7-10-29(32)42/h1-10,15-17,19,30,46,53-54H,11-14,18H2,(H2,43,55)(H,58,59)(H2,45,49,63)(H3,44,47,50,51,56)/t30-/m0/s1

smiles:
NC(=O)CC[C@@H](C(=O)O)N(CCNC(=S)Nc1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)c1ccc(NCc2cnc3[nH]c(N)nc(=O)c3n2)cc1


name: Febantel
cas: 58306-30-2
chemspiderid: 4514715
dtxsid: DTXSID6046898
formula: C20H22N4O6S1
inchikey: HMCCXLBXIJMERM-UHFFFAOYSA-N
norman_susdat_id: NS00006592
pubchem_cid: 9570638
smiles: COCC(=O)Nc1cc(Sc2ccccc2)ccc1NC(NC(=O)OC)=NC(=O)OC
inchi:
InChI=1S/C20H22N4O6S/c1-28-12-17(25)21-16-11-14(31-13-7-5-4-6-8-13)9-10-15(16)22-18(23-19(26)29-2)24-20(27)30-3/h4-11H,12H2,1-3H3,(H,21,25)(H2,22,23,24,26,27)


name: N-(2-Amino-5-(phenylthio)phenyl)-2-methoxyacetamide
cas: 58306-67-5
chemspiderid: 84849
dtxsid: DTXSID60207033
formula: C15H16N2O2S1
inchikey: CTJWFLXXSAXYMS-UHFFFAOYSA-N
norman_susdat_id: NS00033902
pubchem_cid: 94015
smiles: COCC(=O)Nc1c(N)ccc(Sc2ccccc2)c1
inchi:
InChI=1S/C15H16N2O2S/c1-19-10-15(18)17-14-9-12(7-8-13(14)16)20-11-5-3-2-4-6-11/h2-9H,10,16H2,1H3,(H,17,18)


name: (oxydiethylene)bis[bis(2-hydroxyethyl)sulphonium] bis(toluene-p-sulphonate)
cas: 58307-97-4
dtxsid: DTXSID80207035
formula: C12H28O5S2
inchikey: CHSPKBBITUDSCJ-UHFFFAOYSA-L
norman_susdat_id: NS00053184
pubchem_cid: 6453598
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.O=S(=O)([O-])C1=CC=C(C=C1)C.OCC[S+](CCO)CCOCC[S+](CCO)CCO
inchi:
InChI=1/C12H28O5S2.2C7H8O3S/c13-1-7-18(8-2-14)11-5-17-6-12-19(9-3-15)10-4-16;2*1-6-2-4-7(5-3-6)11(8,9)10/h13-16H,1-12H2;2*2-5H,1H3,(H,8,9,10)/q+2;;/p-2


name: 9-Octadecenamide, N,N-dibutyl-, (9Z)-
cas: 5831-80-1
chemspiderid: 4940986
dtxsid: DTXSID10884191
formula: C26H51N1O1
inchikey: YMGHPIVBMBXPCR-NXVVXOECSA-N
norman_susdat_id: NS00004658
pubchem_cid: NA
smiles: CCCCCCCCC=C/CCCCCCCC(=O)N(CCCC)CCCC
inchi:
InChI=1S/C26H51NO/c1-4-7-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26(28)27(24-8-5-2)25-9-6-3/h15-16H,4-14,17-25H2,1-3H3/b16-15-


name: Benzeneacetic acid, .alpha.-(2,4-dinitrophenyl)-2,4-dinitro-, ethyl ester
cas: 5833-18-1
chemspiderid: 20754
dtxsid: DTXSID3064017
formula: C16H12N4O10
inchikey: CMVIALRRHVVWIW-UHFFFAOYSA-N
norman_susdat_id: NS00033905
pubchem_cid: 22085
smiles: CCOC(=O)C(c1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])c1c(cc(cc1)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C16H12N4O10/c1-2-30-16(21)15(11-5-3-9(17(22)23)7-13(11)19(26)27)12-6-4-10(18(24)25)8-14(12)20(28)29/h3-8,15H,2H2,1H3


name: Elliptinium acetate
cas: 58337-35-2
formula: C18H17N2O.C2H3O2
inchikey: BOMZMNZEXMAQQW-UHFFFAOYSA-N
norman_susdat_id: NS00086276
smiles: CC(=O)[O-].Cc1c2cc[n+](C)cc2c(C)c3c4cc(O)ccc4[nH]c13
inchi:
InChI=1/C18H16N2O.C2H4O2/c1-10-15-9-20(3)7-6-13(15)11(2)18-17(10)14-8-12(21)4-5-16(14)19-18;1-2(3)4/h4-9,21H,1-3H3;1H3,(H,3,4)


name: Tetradec-2-enylsuccinic acid
cas: 58338-68-4
formula: C44H78O4
inchikey: QPQCYYLZXOECHA-UHFFFAOYSA-N
norman_susdat_id: NS00053185
pubchem_cid: NA
smiles: O=C(O)C(CC=CCCCCCCC)(CC=CCCCCCCC)C(C(=O)O)(CC=CCCCCCCC)CC=CCCCCCCC
inchi:
InChI=1/C44H78O4/c1-5-9-13-17-21-25-29-33-37-43(41(45)46,38-34-30-26-22-18-14-10-6-2)44(42(47)48,39-35-31-27-23-19-15-11-7-3)40-36-32-28-24-20-16-12-8-4/h29-36H,5-28,37-40H2,1-4H3,(H,45,46)(H,47,48)


name: 1,8,15,22 - Tetraazacyclooctacosane - 2,9,16,23 - tetrone
cas: 5834-63-9
dtxsid: DTXSID00207072
formula: C24H44N4O4
inchikey: LAIGWNLGTIDKPL-UHFFFAOYSA-N
norman_susdat_id: NS00112906
smiles: O=C1CCCCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCCN1
inchi:
InChI=1S/C24H44N4O4/c29-21-13-5-1-9-17-25-22(30)14-6-2-11-19-27-24(32)16-8-4-12-20-28-23(31)15-7-3-10-18-26-21/h1-20H2,(H,25,30)(H,26,29)(H,27,32)(H,28,31)


name: Azothoate
cas: 5834-96-8
chebiid: CHEBI:82152
chemspiderid: 21172182
dtxsid: DTXSID8041616
formula: C14H14Cl1N2O3P1S1
inchikey: DCEAEHHJGXAROU-WUKNDPDISA-N
norman_susdat_id: NS00020526
pubchem_cid: NA
smiles: COP(=S)(OC)Oc1ccc(cc1)N=Nc1ccc(Cl)cc1
inchi:
InChI=1S/C14H14ClN2O3PS/c1-18-21(22,19-2)20-14-9-7-13(8-10-14)17-16-12-5-3-11(15)4-6-12/h3-10H,1-2H3/b17-16+


cas: 5835-04-1
formula: C24H30N2O3
inchikey: PUFYZCKVLOYPHL-UHFFFAOYSA-N
norman_susdat_id: NS00047084
pubchem_cid: NA
smiles: O=C(OC1CCN2CC3CC(CN4C(=O)CCCC43)C2C1)C=CC=5C=CC=CC5
name:
[2S-[2a(E),7ß,7aß,14ß,14aa]]-dodecahydro-11-oxo-7,14-methano-2H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-2-yl cinnamate

inchi:
InChI=1/C24H30N2O3/c27-23-8-4-7-21-18-13-19(16-26(21)23)22-14-20(11-12-25(22)15-18)29-24(28)10-9-17-5-2-1-3-6-17/h1-3,5-6,9-10,18-22H,4,7-8,11-16H2


name: Isopimaric acid
cas: 5835-26-7
chebiid: CHEBI:6039
chemspiderid: 8533033
dtxsid: DTXSID9022233
formula: C20H30O2
inchikey: MXYATHGRPJZBNA-KRFUXDQASA-N
norman_susdat_id: NS00022421
pubchem_cid: 442048
smiles: C[C@@]1(CC[C@H]2C(C1)=CC[C@@H]1[C@]2(C)CCC[C@@]1(C)C(O)=O)C=C
inchi:
InChI=1S/C20H30O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,7,15-16H,1,6,8-13H2,2-4H3,(H,21,22)/t15-,16+,18-,19+,20+/m0/s1


name: Benzene, dodecylnitro-
cas: 58353-63-2
chemspiderid: 142970
dtxsid: DTXSID6069246
formula: C18H29N1O2
inchikey: QWLHSHGYLNXYPS-UHFFFAOYSA-N
norman_susdat_id: NS00033909
pubchem_cid: 162853
smiles: CCCCCCCCCCCCc1ccccc1[N+](=O)[O-]
inchi:
InChI=1S/C18H29NO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19(20)21/h12-13,15-16H,2-11,14H2,1H3


name: Chloropropylate
cas: 5836-10-2
chebiid: CHEBI:39411
chemspiderid: 20762
dtxsid: DTXSID5041778
formula: C17H16Cl2O3
inchikey: AXGUBXVWZBFQGA-UHFFFAOYSA-N
norman_susdat_id: NS00022422
pubchem_cid: 22094
smiles: CC(C)OC(=O)C(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
inchi:
InChI=1S/C17H16Cl2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3


name: Tecoram
cas: 5836-23-7
chemspiderid: 2298675
dtxsid: DTXSID7042439
formula: C10H18N4S8
inchikey: OTWBGXPTCSGQEJ-UHFFFAOYSA-N
norman_susdat_id: NS00033912
pubchem_cid: 3034167
smiles: CN(C)C(=S)SSC(=S)NCCNC(=S)SSC(=S)N(C)C
inchi:
InChI=1S/C10H18N4S8/c1-13(2)9(17)21-19-7(15)11-5-6-12-8(16)20-22-10(18)14(3)4/h5-6H2,1-4H3,(H,11,15)(H,12,16)


name: Coumatetralyl
cas: 5836-29-3
chebiid: CHEBI:80742
dtxsid: DTXSID8041799
formula: C19H16O3
inchikey: ULSLJYXHZDTLQK-UHFFFAOYSA-N
norman_susdat_id: NS00047085
pubchem_cid: 54678504
smiles: O=C1OC=2C=CC=CC2C(O)=C1C3C=4C=CC=CC4CCC3
inchi:
InChI=1/C19H16O3/c20-18-15-9-3-4-11-16(15)22-19(21)17(18)14-10-5-7-12-6-1-2-8-13(12)14/h1-4,6,8-9,11,14,20H,5,7,10H2


cas: 58370-37-9
dtxsid: DTXSID00886260
formula: C19H21ClN2O5S2
inchikey: ABPKZRFIDANJLM-UHFFFAOYSA-M
norman_susdat_id: NS00053085
pubchem_cid: 162855
smiles: [Na+].O=S(=O)([O-])C(C)(C)CS(=O)(=O)C1=CC=C(C=C1)N2N=C(C=3C=CC(Cl)=CC3)CC2
name:
Sodium 1-[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]-2-methylpropane-2-sulphonate

inchi:
InChI=1/C19H21ClN2O5S2.Na/c1-19(2,29(25,26)27)13-28(23,24)17-9-7-16(8-10-17)22-12-11-18(21-22)14-3-5-15(20)6-4-14;/h3-10H,11-13H2,1-2H3,(H,25,26,27);/q;+1/p-1


name: Methyltriphenoxyphosphonium trifluoromethanesulphonate
cas: 58373-29-8
dtxsid: DTXSID70973939
formula: C19H18O3P
inchikey: AXGZAARACNXXAR-UHFFFAOYSA-M
norman_susdat_id: NS00053086
pubchem_cid: 21150939
smiles: O=S(=O)([O-])C(F)(F)F.O(C=1C=CC=CC1)[P+](OC=2C=CC=CC2)(OC=3C=CC=CC3)C
inchi:
InChI=1/C19H18O3P.CHF3O3S/c1-23(20-17-11-5-2-6-12-17,21-18-13-7-3-8-14-18)22-19-15-9-4-10-16-19;2-1(3,4)8(5,6)7/h2-16H,1H3;(H,5,6,7)/q+1;/p-1


name: Ammonium O,O-bis(methylphenyl) dithiophosphate
cas: 58373-83-4
formula: C14H15O2PS2.H3N
inchikey: JEQFERRNWXYBQE-UHFFFAOYSA-N
norman_susdat_id: NS00086277
smiles: [NH4+].Cc1ccccc1OP(=S)([S-])Oc2ccccc2C
inchi:
InChI=1/C14H15O2PS2.H3N/c1-11-7-3-5-9-13(11)15-17(18,19)16-14-10-6-4-8-12(14)2;/h3-10H,1-2H3,(H,18,19);1H3


name: Stearic acid, compound with N-(2-aminoethyl)-N'-[2-[(2-aminoethyl)amino]ethyl]ethane-1,2-diamine
cas: 58379-33-2
formula: C18H36O2.xC8H23N5
inchikey: CDCSRZWJRXOXLQ-UHFFFAOYSA-N
norman_susdat_id: NS00086987
smiles: CCCCCCCCCCCCCCCCCC(=O)O.NCCNCCNCCNCCN
inchi:
InChI=1/C18H36O2.C8H23N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;9-1-3-11-5-7-13-8-6-12-4-2-10/h2-17H2,1H3,(H,19,20);11-13H,1-10H2


name: 10,10'-(1,2-ethanediylidene)bis[2-chloroanthracen-9(10H)-one]
cas: 5839-39-4
formula: C30H16Cl2O2
inchikey: KWZGLPQTVVGILR-UHFFFAOYSA-N
norman_susdat_id: NS00046350
pubchem_cid: 111101
smiles: O=C1C=2C=CC=CC2C(=CC=C3C=4C=CC=CC4C(=O)C5=CC(Cl)=CC=C35)C6=CC=C(Cl)C=C16
inchi:
InChI=1/C30H16Cl2O2/c31-17-9-11-23-21(19-5-1-3-7-25(19)29(33)27(23)15-17)13-14-22-20-6-2-4-8-26(20)30(34)28-16-18(32)10-12-24(22)28/h1-16H


name: N-[2-[(2-hydroxyethyl)amino]ethyl]oleamide
cas: 5839-65-6
dtxsid: DTXSID70884192
formula: C22H44N2O2
inchikey: NCMWZIWWCKZTJY-KTKRTIGZSA-N
norman_susdat_id: NS00047057
pubchem_cid: 6912993
smiles: O=C(NCCNCCO)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C22H44N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)24-19-18-23-20-21-25/h9-10,23,25H,2-8,11-21H2,1H3,(H,24,26)


name: Benzyloctyl adipate
cas: 58394-64-2
chemspiderid: 84865
dtxsid: DTXSID1047528
formula: C21H32O4
inchikey: OOUQSWGHJPCRLI-UHFFFAOYNA-N
norman_susdat_id: NS00022424
pubchem_cid: NA
smiles: CCCCC(CC)COC(=O)CCCCC(=O)OCc1ccccc1
inchi:
InChI=1S/C21H32O4/c1-3-5-11-18(4-2)16-24-20(22)14-9-10-15-21(23)25-17-19-12-7-6-8-13-19/h6-8,12-13,18H,3-5,9-11,14-17H2,1-2H3/t18-/m1/s1


name: 2-hydroxy-5-(1,1,3,3-tetramethylbutyl)phenylmercury acetate
cas: 584-18-9
formula: C16H24HgO3
inchikey: YEWQCWVEXRSMSB-UHFFFAOYSA-M
norman_susdat_id: NS00080148
smiles: CC(=O)[O-].CC(C)(C)CC(C)(C)c1ccc(O)c([Hg+])c1
inchi:
InChI=1/C14H21O.C2H4O2.Hg/c1-13(2,3)10-14(4,5)11-6-8-12(15)9-7-11;1-2(3)4;/h6-8,15H,10H2,1-5H3;1H3,(H,3,4);/q;;+1/p-1/rC14H21HgO.C2H4O2/c1-13(2,3)9-14(4,5)10-6-7-12(16)11(15)8-10;1-2(3)4/h6-8,16H,9H2,1-5H3;1H3,(H,3,4)/q+1;/p-1


name: 2-hydroxy-5-(3-nitrophenylazo)benzoate sodium
cas: 584-42-9
dtxsid: DTXSID8060402
formula: C13H10N3O5
inchikey: ZHFPEICFUVWJIS-UHFFFAOYSA-M
norman_susdat_id: NS00043011
pubchem_cid: NA
smiles: [Na+].O=C([O-])C1=CC(N=NC2=CC=CC(=C2)[N+](=O)[O-])=CC=C1O
inchi:
InChI=1/C13H9N3O5.Na/c17-12-5-4-9(7-11(12)13(18)19)15-14-8-2-1-3-10(6-8)16(20)21;/h1-7,17H,(H,18,19);/q;+1/p-1


name: Allethrin
cas: 584-79-2
chebiid: CHEBI:34572
chemspiderid: 10958
dtxsid: DTXSID8035180
formula: C19H26O3
inchikey: ZCVAOQKBXKSDMS-UHFFFAOYSA-N
norman_susdat_id: NS00008969
pubchem_cid: 11442
smiles: CC(C)=CC1C(C(=O)OC2CC(=O)C(CC=C)=C2C)C1(C)C
inchi:
InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3


name: L-Anserine
cas: 584-85-0
chebiid: CHEBI:58445
chemspiderid: 100482
formula: C10H16N4O3
inchikey: MYYIAHXIVFADCU-QMMMGPOBSA-N
norman_susdat_id: NS00015140
pubchem_cid: NA
smiles: CN1C=NC=C1CC(C(=O)O)NC(=O)CCN
inchi:
InChI=1S/C10H16N4O3/c1-14-6-12-5-7(14)4-8(10(16)17)13-9(15)2-3-11/h5-6,8H,2-4,11H2,1H3,(H,13,15)(H,16,17)/t8-/m0/s1


name: 11H-Benzo[a]carbazole-3-carboxamide, 2-hydroxy-N-(4-methoxy-2-methylphenyl)-
cas: 5840-22-2
chemspiderid: 70810
dtxsid: DTXSID2064020
formula: C25H20N2O3
inchikey: GMGDWNYWMLZUEF-UHFFFAOYSA-N
norman_susdat_id: NS00021228
pubchem_cid: 79920
smiles: COc1ccc(NC(=O)c2cc3ccc4c([nH]c5c4cccc5)c3cc2O)c(C)c1
inchi:
InChI=1S/C25H20N2O3/c1-14-11-16(30-2)8-10-21(14)27-25(29)20-12-15-7-9-18-17-5-3-4-6-22(17)26-24(18)19(15)13-23(20)28/h3-13,26,28H,1-2H3,(H,27,29)


name: Lead bis(12-hydroxystearate)
cas: 58405-97-3
formula: C18H36O3.1/2Pb
inchikey: OZHGKMQTUUYMRS-UHFFFAOYSA-L
norman_susdat_id: NS00086988
smiles: [Pb+2].[O-]C(=O)CCCCCCCCCCC(O)CCCCCC.[O-]C(=O)CCCCCCCCCCC(O)CCCCCC
inchi:
InChI=1/2C18H36O3.Pb.2H/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;;;/h2*17,19H,2-16H2,1H3,(H,20,21);;;/q;;+4;;/p-2/r2C18H36O3.H2Pb/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*17,19H,2-16H2,1H3,(H,20,21);1H2/q;;+4/p-2


name: 1,5,9,13-tetramethyl-1-vinyltetradecyl acetate
cas: 58425-36-8
dtxsid: DTXSID00973967
formula: C22H42O2
inchikey: GKWIQRXSJFOVGL-UHFFFAOYSA-N
norman_susdat_id: NS00053088
pubchem_cid: 94042
smiles: O=C(OC(C=C)(C)CCCC(C)CCCC(C)CCCC(C)C)C
inchi:
InChI=1/C22H42O2/c1-8-22(7,24-21(6)23)17-11-16-20(5)15-10-14-19(4)13-9-12-18(2)3/h8,18-20H,1,9-17H2,2-7H3


name: 6-chloropurine riboside-5'-o-monophosphate sodium salt
cas: 5843-59-4
dtxsid: DTXSID10306924
formula: C10H12ClN4O7P
inchikey: ALOBOMYIOYNCBS-KQYNXXCUSA-N
norman_susdat_id: NS00070889
smiles: O=P(O)(O)OC[C@H]1O[C@@H](n2cnc3c(Cl)ncnc32)[C@H](O)[C@@H]1O
inchi:
InChI=1S/C10H12ClN4O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,18,19,20)/t4-,6-,7-,10-/m1/s1


name: octylatropine
cas: 5843-82-3
chemspiderid: 20774
formula: C25H40N1O3
inchikey: XQIDVDQPJDMFHO-UHFFFAOYSA-N
norman_susdat_id: NS00002963
pubchem_cid: 22106
smiles: CCCCCCCC[N+]1(C)C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
inchi:
InChI=1S/C25H40NO3/c1-3-4-5-6-7-11-16-26(2)21-14-15-22(26)18-23(17-21)29-25(28)24(19-27)20-12-9-8-10-13-20/h8-10,12-13,21-24,27H,3-7,11,14-19H2,1-2H3/q+1


name: Tris(nonafluorobutyl)(oxo)-lambda~5~-phosphane
cas: 58431-34-8
dtxsid: DTXSID10542188
formula: C12F27OP
inchikey: SCKQHGHUQPSXRW-UHFFFAOYSA-N
norman_susdat_id: NS00109170
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)P(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12F27OP/c13-1(14,7(25,26)27)4(19,20)10(34,35)41(40,11(36,37)5(21,22)2(15,16)8(28,29)30)12(38,39)6(23,24)3(17,18)9(31,32)33


name: 1-[(2-aminoethyl)amino]octadecan-2-ol
cas: 58436-15-0
dtxsid: DTXSID00973982
formula: C20H44N2O
inchikey: HUUDYFZAGJOSBT-UHFFFAOYSA-N
norman_susdat_id: NS00053140
pubchem_cid: 94044
smiles: OC(CNCCN)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C20H44N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(23)19-22-18-17-21/h20,22-23H,2-19,21H2,1H3


name: 3-(2-Naphthyl)-L-alanine
cas: 58438-03-2
chemspiderid: 161608
formula: C13H13N1O2
inchikey: JPZXHKDZASGCLU-LBPRGKRZSA-N
norman_susdat_id: NS00015310
pubchem_cid: NA
smiles: C1=CC=C2C=C(C=CC2=C1)CC(C(=O)O)N
inchi:
InChI=1S/C13H13NO2/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1


name: 4,6-bis(phenylazo)-o-cresol
cas: 5844-01-9
formula: C19H16N4O
inchikey: RPZZLBYXHLWEOJ-UHFFFAOYSA-N
norman_susdat_id: NS00046382
pubchem_cid: 79927
smiles: OC=1C(N=NC=2C=CC=CC2)=CC(N=NC=3C=CC=CC3)=CC1C
inchi:
InChI=1/C19H16N4O/c1-14-12-17(22-20-15-8-4-2-5-9-15)13-18(19(14)24)23-21-16-10-6-3-7-11-16/h2-13,24H,1H3


name: 6-bromo-2-[4-[ethyl(2-hydroxyethyl)amino]phenyl]-1-methylbenz[cd]indolium chloride
cas: 58441-54-6
dtxsid: DTXSID00973987
formula: C22H22BrN2O
inchikey: ZGRMAOZCTKUHPX-UHFFFAOYSA-M
norman_susdat_id: NS00054037
pubchem_cid: 6453620
smiles: [Cl-].BrC1=CC=C2C3=C1C=CC=C3C(C=4C=CC(=CC4)N(CC)CCO)=[N+]2C
inchi:
InChI=1/C22H22BrN2O.ClH/c1-3-25(13-14-26)16-9-7-15(8-10-16)22-18-6-4-5-17-19(23)11-12-20(21(17)18)24(22)2;/h4-12,26H,3,13-14H2,1-2H3;1H/q+1;/p-1


name: 6-((2-Hydroxyethyl)amino)-4-methyl-2-((3-(2-phenoxyethoxy)propyl)amino)nicotinonitrile
cas: 58444-23-8
chemspiderid: 84877
dtxsid: DTXSID90207142
formula: C20H26N4O3
inchikey: JZFSKHDCPOQSBP-UHFFFAOYSA-N
norman_susdat_id: NS00033927
pubchem_cid: 94049
smiles: Cc1c(C#N)c(NCCCOCCOc2ccccc2)nc(NCCO)c1
inchi:
InChI=1S/C20H26N4O3/c1-16-14-19(22-9-10-25)24-20(18(16)15-21)23-8-5-11-26-12-13-27-17-6-3-2-4-7-17/h2-4,6-7,14,25H,5,8-13H2,1H3,(H2,22,23,24)


name: 1-Phenylicosane-1,3-dione
cas: 58446-52-9
chebiid: CHEBI:169186
chemspiderid: 84878
dtxsid: DTXSID1052246
formula: C26H42O2
inchikey: LRQGFQDEQPZDQC-UHFFFAOYSA-N
norman_susdat_id: NS00019827
pubchem_cid: 94050
smiles: CCCCCCCCCCCCCCCCCC(=O)CC(=O)c1ccccc1
inchi:
InChI=1S/C26H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-22-25(27)23-26(28)24-20-17-16-18-21-24/h16-18,20-21H,2-15,19,22-23H2,1H3


name: 9-hydroxy-2,5,11-trimethyl-6H-pyrido[4,3-b]carbazolium iodide
cas: 58447-24-8
dtxsid: DTXSID30973990
formula: C18H17N2O
inchikey: VBYXSZHHBDXMNX-UHFFFAOYSA-N
norman_susdat_id: NS00052746
pubchem_cid: 12805652
smiles: [I-].OC1=CC=C2NC=3C(C2=C1)=C(C=4C=[N+](C=CC4C3C)C)C
inchi:
InChI=1/C18H16N2O.HI/c1-10-15-9-20(3)7-6-13(15)11(2)18-17(10)14-8-12(21)4-5-16(14)19-18;/h4-9,21H,1-3H3;1H


name: Tributyl[(diethylthiocarbamoyl)thio]stannane
cas: 5847-53-0
formula: C17H37NS2Sn
inchikey: XGLILJKLOLKQLC-UHFFFAOYSA-M
norman_susdat_id: NS00047135
pubchem_cid: NA
smiles: S=C(S[Sn](CCCC)(CCCC)CCCC)N(CC)CC
inchi:
InChI=1/C5H11NS2.3C4H9.Sn/c1-3-6(4-2)5(7)8;3*1-3-4-2;/h3-4H2,1-2H3,(H,7,8);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC17H37NS2Sn/c1-6-11-14-21(15-12-7-2,16-13-8-3)20-17(19)18(9-4)10-5/h6-16H2,1-5H3


name: Dibutylbis(stearoyloxy)stannane
cas: 5847-55-2
dtxsid: DTXSID6052247
formula: C44H88O4Sn
inchikey: YVHDRFKHKGNLNW-UHFFFAOYSA-L
norman_susdat_id: NS00047136
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)CCCCCCCCCCCCCCCCC)(CCCC)CCCC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/2C18H36O2.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3-4-2;/h2*2-17H2,1H3,(H,19,20);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC44H88O4Sn/c1-5-9-13-15-17-19-21-23-25-27-29-31-33-35-37-39-43(45)47-49(41-11-7-3,42-12-8-4)48-44(46)40-38-36-34-32-30-28-26-24-22-20-18-16-14-10-6-2/h5-42H2,1-4H3


name: Phenol, 4-nitro-2-[[(2,4,6-tripropoxyphenyl)methylene]amino]-
cas: 58470-12-5
chemspiderid: 84891
dtxsid: DTXSID5069253
formula: C22H28N2O6
inchikey: QNFLOJLBFREGQP-UHFFFAOYSA-N
norman_susdat_id: NS00033934
pubchem_cid: 94063
smiles: CCCOc1cc(OCCC)c(C=Nc2c(O)ccc(c2)[N+](=O)[O-])c(OCCC)c1
inchi:
InChI=1S/C22H28N2O6/c1-4-9-28-17-13-21(29-10-5-2)18(22(14-17)30-11-6-3)15-23-19-12-16(24(26)27)7-8-20(19)25/h7-8,12-15,25H,4-6,9-11H2,1-3H3/b23-15+


name: 5-[6-benzoylbenz[cd]indol-2(1H)-ylidene]-1,3-dimethyl-1H,3H,5H-pyrimidine-2,4,6-trione
cas: 58470-73-8
dtxsid: DTXSID70207165
formula: C24H17N3O4
inchikey: MOCWOVLARTYTRK-UHFFFAOYSA-N
norman_susdat_id: NS00054058
pubchem_cid: NA
smiles: O=C(C=1C=CC=CC1)C=2C=CC=3NC(C4=CC=CC2C34)=C5C(=O)N(C(=O)N(C5=O)C)C
inchi:
InChI=1/C24H17N3O4/c1-26-22(29)19(23(30)27(2)24(26)31)20-16-10-6-9-14-15(11-12-17(25-20)18(14)16)21(28)13-7-4-3-5-8-13/h3-12,25H,1-2H3


name: 1,3-dimethyl-5-[6-(phenylthio)benz[cd]indol-2(1H)-ylidene]barbituric acid
cas: 58470-74-9
dtxsid: DTXSID40974014
formula: C23H17N3O3S
inchikey: ZKKFUSFTQZGTKV-UHFFFAOYSA-N
norman_susdat_id: NS00052748
pubchem_cid: NA
smiles: O=C1C(C(=O)N(C(=O)N1C)C)=C2NC=3C=CC(SC=4C=CC=CC4)=C5C=CC=C2C35
inchi:
InChI=1/C23H17N3O3S/c1-25-21(27)19(22(28)26(2)23(25)29)20-15-10-6-9-14-17(12-11-16(24-20)18(14)15)30-13-7-4-3-5-8-13/h3-12,24H,1-2H3


name: Benzoic acid, 4-[(4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-
cas: 58473-41-9
chemspiderid: 84894
dtxsid: DTXSID0069256
formula: C21H14N2O4
inchikey: FSQRTGQUTVRMNV-UHFFFAOYSA-N
norman_susdat_id: NS00033935
pubchem_cid: 94069
smiles: Nc1ccc(Nc2ccc(cc2)C(=O)O)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C21H14N2O4/c22-15-9-10-16(23-12-7-5-11(6-8-12)21(26)27)18-17(15)19(24)13-3-1-2-4-14(13)20(18)25/h1-10,23H,22H2,(H,26,27)


name: Benzoic acid, 3-[(4-amino-9,10-dihydro-9,10-dioxo-1-anthracenyl)amino]-
cas: 58473-42-0
chemspiderid: 84895
dtxsid: DTXSID5069257
formula: C21H14N2O4
inchikey: HWSFYZXHGYNGMS-UHFFFAOYSA-N
norman_susdat_id: NS00033936
pubchem_cid: 94070
smiles: Nc1ccc(Nc2cccc(c2)C(=O)O)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C21H14N2O4/c22-15-8-9-16(23-12-5-3-4-11(10-12)21(26)27)18-17(15)19(24)13-6-1-2-7-14(13)20(18)25/h1-10,23H,22H2,(H,26,27)


name: Benzenamine, 4,4'-cyclohexylidenebis[N,N-bis(4-methylphenyl)-
cas: 58473-78-2
chemspiderid: 84896
dtxsid: DTXSID0069258
formula: C46H46N2
inchikey: ZOKIJILZFXPFTO-UHFFFAOYSA-N
norman_susdat_id: NS00033937
pubchem_cid: 94071
smiles: Cc1ccc(cc1)N(c1ccc(C)cc1)c1ccc(cc1)C1(CCCCC1)c1ccc(cc1)N(c1ccc(C)cc1)c1ccc(C)cc1
inchi:
InChI=1S/C46H46N2/c1-34-8-20-40(21-9-34)47(41-22-10-35(2)11-23-41)44-28-16-38(17-29-44)46(32-6-5-7-33-46)39-18-30-45(31-19-39)48(42-24-12-36(3)13-25-42)43-26-14-37(4)15-27-43/h8-31H,5-7,32-33H2,1-4H3


name: Didecyl mercaptosuccinate
cas: 58473-83-9
dtxsid: DTXSID80974018
formula: C24H46O4S
inchikey: ZTQOLKPIVDWRDR-UHFFFAOYSA-N
norman_susdat_id: NS00053169
pubchem_cid: 94072
smiles: O=C(OCCCCCCCCCC)CC(S)C(=O)OCCCCCCCCCC
inchi:
InChI=1/C24H46O4S/c1-3-5-7-9-11-13-15-17-19-27-23(25)21-22(29)24(26)28-20-18-16-14-12-10-8-6-4-2/h22,29H,3-21H2,1-2H3


name: 3,3'-(decane-1,10-diyl)bis(benzothiazolium) dibromide
cas: 58474-16-1
formula: C24H30N2S2.2Br
inchikey: JIZYPFRCBQPFGJ-UHFFFAOYSA-L
norman_susdat_id: NS00086051
smiles: [Br-].[Br-].C(CCCCC[n+]1csc2ccccc12)CCCC[n+]3csc4ccccc34
inchi:
InChI=1/C24H30N2S2.2BrH/c1(3-5-11-17-25-19-27-23-15-9-7-13-21(23)25)2-4-6-12-18-26-20-28-24-16-10-8-14-22(24)26;;/h7-10,13-16,19-20H,1-6,11-12,17-18H2;2*1H/q+2;;/p-2


name: Propylnorapomorphine
cas: 58479-52-0
chemspiderid: 27991
formula: C19H21N1O2
inchikey: BTGAJCKRXPNBFI-UHFFFAOYSA-N
norman_susdat_id: NS00015459
pubchem_cid: 30137
smiles: CCCN1CCC2=CC=CC3=C2C1CC4=C3C(=C(C=C4)O)O
inchi:
InChI=1S/C19H21NO2/c1-2-9-20-10-8-12-4-3-5-14-17(12)15(20)11-13-6-7-16(21)19(22)18(13)14/h3-7,15,21-22H,2,8-11H2,1H3


name: 1,2-dimethylnaphtho[1,2-d]thiazolium toluene-p-sulphonate
cas: 58480-17-4
dtxsid: DTXSID4069260
formula: C13H12NS
inchikey: WMJPMFYZKNZOQC-UHFFFAOYSA-M
norman_susdat_id: NS00053170
pubchem_cid: 94079
smiles: O=S(=O)([O-])C1=CC=C(C=C1)C.S1C2=CC=C3C=CC=CC3=C2[N+](=C1C)C
inchi:
InChI=1/C13H12NS.C7H8O3S/c1-9-14(2)13-11-6-4-3-5-10(11)7-8-12(13)15-9;1-6-2-4-7(5-3-6)11(8,9)10/h3-8H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: Sodium 3-(4-nitrophenoxy)propanesulphonate
cas: 58480-38-9
dtxsid: DTXSID40207177
formula: C9H12NO6S
inchikey: JUFRIUPMWSGUOL-UHFFFAOYSA-M
norman_susdat_id: NS00053235
pubchem_cid: NA
smiles: [Na+].O=[N+]([O-])C1=CC=C(OCCCS(=O)(=O)[O-])C=C1
inchi:
InChI=1/C9H11NO6S.Na/c11-10(12)8-2-4-9(5-3-8)16-6-1-7-17(13,14)15;/h2-5H,1,6-7H2,(H,13,14,15);/q;+1/p-1


name: Sodium 3-(4-aminophenoxy)propanesulphonate
cas: 58480-39-0
dtxsid: DTXSID00207178
formula: C9H13NO4S
inchikey: OUTUVKFONVOYPM-UHFFFAOYSA-M
norman_susdat_id: NS00053236
pubchem_cid: 3017112
smiles: [Na+].O=S(=O)([O-])CCCOC1=CC=C(N)C=C1
inchi:
InChI=1/C9H13NO4S.Na/c10-8-2-4-9(5-3-8)14-6-1-7-15(11,12)13;/h2-5H,1,6-7,10H2,(H,11,12,13);/q;+1/p-1


name: 4,4'-(diphenylmethylene)bis[1,1-dimethylsemicarbazide]
cas: 58494-39-6
dtxsid: DTXSID10974041
formula: C19H26N6O2
inchikey: PFQVHUOGUNMCEF-UHFFFAOYSA-N
norman_susdat_id: NS00053237
pubchem_cid: 94082
smiles: O=C(NN(C)C)NC(NC(=O)NN(C)C)(C=1C=CC=CC1)C=2C=CC=CC2
inchi:
InChI=1/C19H26N6O2/c1-24(2)22-17(26)20-19(15-11-7-5-8-12-15,16-13-9-6-10-14-16)21-18(27)23-25(3)4/h5-14H,1-4H3,(H2,20,22,26)(H2,21,23,27)


name: 6a,9-difluoro-11ß-hydroxy-16a,17-[isopropylidenebis(oxy)]pregna-1,4-diene-3,20-dione 21-propionate
cas: 58497-00-0
formula: C27H34F2O7
inchikey: UBOIMZIXNXGQOH-UHFFFAOYSA-N
norman_susdat_id: NS00053254
pubchem_cid: 4373575
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC5OC(OC5(C(=O)COC(=O)CC)C4(C)CC(O)C32F)(C)C)C
inchi:
InChI=1/C27H34F2O7/c1-6-22(33)34-13-20(32)27-21(35-23(2,3)36-27)11-15-16-10-18(28)17-9-14(30)7-8-24(17,4)26(16,29)19(31)12-25(15,27)5/h7-9,15-16,18-19,21,31H,6,10-13H2,1-5H3


name: Benzonitrile, 4-[[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl]azo]-2-chloro-
cas: 58498-34-3
chemspiderid: 84909
dtxsid: DTXSID9069261
formula: C18H19Cl1N4O2
inchikey: AZLVLRPFHNHJOR-UHFFFAOYSA-N
norman_susdat_id: NS00033943
pubchem_cid: 94084
smiles: Cc1c(ccc(c1)N(CCO)CCO)N=Nc1cc(Cl)c(cc1)C#N
inchi:
InChI=1S/C18H19ClN4O2/c1-13-10-16(23(6-8-24)7-9-25)4-5-18(13)22-21-15-3-2-14(12-20)17(19)11-15/h2-5,10-11,24-25H,6-9H2,1H3


name: Sodium hydrogen [4-(acetamido)phenyl]arsonate
cas: 585-54-6
formula: C8H10AsNO4.Na
inchikey: WZRLZJZFXQBDNC-UHFFFAOYSA-L
norman_susdat_id: NS00079905
smiles: [Na+].CC(=O)Nc1ccc(cc1)[As](=O)([O-])[O-]
inchi:
InChI=1/C8H10AsNO4.Na/c1-6(11)10-8-4-2-7(3-5-8)9(12,13)14;/h2-5H,1H3,(H,10,11)(H2,12,13,14);/q;+1/p-2


name: Disodium 4,4'-[(4,6-diamino-1,3-phenylene)bis(azo)]bisnaphthalene-1-sulphonate
cas: 5850-05-5
dtxsid: DTXSID70207221
formula: C26H20N6O6S2
inchikey: UZAJXKAPLQJTPL-UHFFFAOYSA-L
norman_susdat_id: NS00047730
pubchem_cid: 56841848
inchi:
InChI=1/C26H20N6O6S2.2Na/c27-19-13-20(28)24(32-30-22-10-12-26(40(36,37)38)18-8-4-2-6-16(18)22)14-23(19)31-29-21-9-11-25(39(33,34)35)17-7-3-1-5-15(17)21;;/h1-14H,27-28H2,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC=2C=C(N=NC3=CC=C(C=4C=CC=CC34)S(=O)(=O)[O-])C(N)=CC2N)C=5C=CC=CC51


name: Sodium 4-[[2,4-dihydroxy-3-(phenylazo)phenyl]azo]benzenesulphonate
cas: 5850-13-5
dtxsid: DTXSID30884193
formula: C18H14N4O5S
inchikey: WYEXAYPDEBUFSB-UHFFFAOYSA-M
norman_susdat_id: NS00046405
pubchem_cid: 136714839
smiles: [Na+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(O)C(N=NC=3C=CC=CC3)=C2O)C=C1
inchi:
InChI=1/C18H14N4O5S.Na/c23-16-11-10-15(18(24)17(16)22-20-12-4-2-1-3-5-12)21-19-13-6-8-14(9-7-13)28(25,26)27;/h1-11,23-24H,(H,25,26,27);/q;+1/p-1


name: Disodium 4-[[2,4-dihydroxy-3-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-1-sulphonate
cas: 5850-15-7
formula: C22H16N4O8S2
inchikey: PCUPWMNGSHVQCM-UHFFFAOYSA-L
norman_susdat_id: NS00047137
pubchem_cid: 101586654
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC=2C(O)=CC=C(N=NC3=CC=C(C=4C=CC=CC34)S(=O)(=O)[O-])C2O)C=C1
inchi:
InChI=1/C22H16N4O8S2.2Na/c27-19-11-9-18(22(28)21(19)26-23-13-5-7-14(8-6-13)35(29,30)31)25-24-17-10-12-20(36(32,33)34)16-4-2-1-3-15(16)17;;/h1-12,27-28H,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2


name: C.I. Acid brown 14, disodium salt
cas: 5850-16-8
chemspiderid: 21172190
dtxsid: DTXSID2041707
formula: C26H18N4O8S2
inchikey: NMZNGCLVMMUXIC-ZQGAZYNISA-L
norman_susdat_id: NS00020846
pubchem_cid: NA
smiles: [Na+].[Na+].[O-]S(=O)(=O)c1ccc(N/N=C/2C=CC(=O)/C(=NNc3ccc(c4ccccc34)S(=O)(=O)[O-])/C2=O)c2ccccc12
inchi:
InChI=1S/C26H18N4O8S2/c31-22-12-9-21(29-27-19-10-13-23(39(33,34)35)17-7-3-1-5-15(17)19)26(32)25(22)30-28-20-11-14-24(40(36,37)38)18-8-4-2-6-16(18)20/h1-14,27-28H,(H,33,34,35)(H,36,37,38)/b29-21+,30-25+


cas: 5850-34-0
dtxsid: DTXSID7064023
formula: C26H17Cl2N5O7S2
inchikey: BYWVACHIPYZWAP-UHFFFAOYSA-L
norman_susdat_id: NS00047731
pubchem_cid: 135666396
name:
Disodium 4-amino-3-[(2,5-dichlorophenyl)azo]-5-hydroxy-6-(1-naphthylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C26H17Cl2N5O7S2.2Na/c27-15-8-9-17(28)19(12-15)31-32-24-20(41(35,36)37)10-14-11-21(42(38,39)40)25(26(34)22(14)23(24)29)33-30-18-7-3-5-13-4-1-2-6-16(13)18;;/h1-12,34H,29H2,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC(Cl)=CC=C3Cl)C(N)=C2C(O)=C1N=NC4=CC=CC=5C=CC=CC45)S(=O)(=O)[O-]


name: Disodium 4-amino-5-hydroxy-3-[(3-nitrophenyl)azo]-6-(phenylazo)naphthalene-2,7-disulphonate
cas: 5850-35-1
dtxsid: DTXSID20889490
formula: C22H17N6O9S2
inchikey: QCWPZYSLMIXIHM-UHFFFAOYSA-L
norman_susdat_id: NS00047125
pubchem_cid: 135436776
inchi:
InChI=1/C22H16N6O9S2.2Na/c23-19-18-12(10-17(39(35,36)37)21(22(18)29)27-24-13-5-2-1-3-6-13)9-16(38(32,33)34)20(19)26-25-14-7-4-8-15(11-14)28(30)31;;/h1-11,29H,23H2,(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C=1C=CC=C(N=NC=2C(N)=C3C(C=C(C(N=NC=4C=CC=CC4)=C3O)S(=O)(=O)[O-])=CC2S(=O)(=O)[O-])C1


cas: 5850-37-3
dtxsid: DTXSID80889491
formula: C22H17N6O12S3
inchikey: DPCLMWZFRAYCIS-UHFFFAOYSA-K
norman_susdat_id: NS00047126
pubchem_cid: NA
name:
Trisodium 4-amino-5-hydroxy-3-[(4-nitrophenyl)azo]-6-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C22H16N6O12S3.3Na/c23-19-18-11(9-16(42(35,36)37)20(19)26-24-12-1-5-14(6-2-12)28(30)31)10-17(43(38,39)40)21(22(18)29)27-25-13-3-7-15(8-4-13)41(32,33)34;;;/h1-10,29H,23H2,(H,32,33,34)(H,35,36,37)(H,38,39,40);;;/q;3*+1/p-3

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


cas: 5850-38-4
dtxsid: DTXSID40889492
formula: C28H21N6O10S2
inchikey: VOQSTTSFXRGBMF-UHFFFAOYSA-L
norman_susdat_id: NS00047142
pubchem_cid: 135666562
name:
Disodium 4-amino-5-hydroxy-3-[(4-nitrophenyl)azo]-6-[(2-phenoxyphenyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C28H20N6O10S2.2Na/c29-25-24-16(14-22(45(38,39)40)26(25)32-30-17-10-12-18(13-11-17)34(36)37)15-23(46(41,42)43)27(28(24)35)33-31-20-8-4-5-9-21(20)44-19-6-2-1-3-7-19;;/h1-15,35H,29H2,(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(N=NC=2C(N)=C3C(C=C(C(N=NC=4C=CC=CC4OC=5C=CC=CC5)=C3O)S(=O)(=O)[O-])=CC2S(=O)(=O)[O-])C=C1


name: Disodium 4-amino-3-[(4-aminophenyl)azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate
cas: 5850-39-5
dtxsid: DTXSID00889493
formula: C22H18N6O7S2
inchikey: VGCGYVHOTSGFBE-UHFFFAOYSA-L
norman_susdat_id: NS00046407
pubchem_cid: 135482788
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(N)C=C3)C(N)=C2C(O)=C1N=NC=4C=CC=CC4)S(=O)(=O)[O-]
inchi:
InChI=1/C22H18N6O7S2.2Na/c23-13-6-8-15(9-7-13)26-27-20-16(36(30,31)32)10-12-11-17(37(33,34)35)21(22(29)18(12)19(20)24)28-25-14-4-2-1-3-5-14;;/h1-11,29H,23-24H2,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2


cas: 5850-41-9
dtxsid: DTXSID60889494
formula: C23H19N6O9S2
inchikey: BLEFYVHZRHIJLJ-UHFFFAOYSA-L
norman_susdat_id: NS00047153
pubchem_cid: 135666398
name:
Disodium 4-amino-5-hydroxy-3-[(2-methyl-5-nitrophenyl)azo]-6-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C23H18N6O9S2.2Na/c1-12-7-8-15(29(31)32)11-16(12)26-27-21-17(39(33,34)35)9-13-10-18(40(36,37)38)22(23(30)19(13)20(21)24)28-25-14-5-3-2-4-6-14;;/h2-11,30H,24H2,1H3,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=[N+]([O-])C1=CC=C(C(N=NC=2C(N)=C3C(C=C(C(N=NC=4C=CC=CC4)=C3O)S(=O)(=O)[O-])=CC2S(=O)(=O)[O-])=C1)C


name: CI 16290
cas: 5850-44-2
chemspiderid: 4886472
formula: C20H14N2O13S4
inchikey: HJPMKLMNRRJVBZ-QOCHGBHMSA-N
norman_susdat_id: NS00013484
pubchem_cid: 6328112
inchi:
InChI=1S/C20H14N2O13S4.4Na/c23-20-17(39(33,34)35)8-10-7-11(36(24,25)26)9-16(38(30,31)32)18(10)19(20)22-21-14-5-6-15(37(27,28)29)13-4-2-1-3-12(13)14;;;;/h1-9,21H,(H,24,25,26)(H,27,28,29)(H,30,31,32)(H,33,34,35);;;;/q;4*+1/p-4/b22-19-;;;;

smiles:
[Na+].[Na+].[Na+].[Na+].[O-][S](=O)(=O)c1cc2C=C(C(=O)C(=N/Nc3ccc(c4ccccc34)[S]([O-])(=O)=O)c2c(c1)[S]([O-])(=O)=O)[S]([O-])(=O)=O


name: Benzoic acid, 2-chloro-5-[(2-hydroxy-1-naphthalenyl)azo]-4-sulfo-, calcium sodium salt (2:1:2)
cas: 5850-80-6
dtxsid: DTXSID2064024
formula: C17H11ClN2O6S
inchikey: QDORUQCHIMQWMJ-UHFFFAOYSA-J
norman_susdat_id: NS00047733
pubchem_cid: 79945
inchi:
InChI=1/2C17H11ClN2O6S.Ca.2Na/c2*18-12-8-15(27(24,25)26)13(7-11(12)17(22)23)19-20-16-10-4-2-1-3-9(10)5-6-14(16)21;;;/h2*1-8,21H,(H,22,23)(H,24,25,26);;;/q;;+2;2*+1/p-4

smiles:
[Na+].[Na+].[Ca+2].O=C([O-])C1=CC(N=NC2=C(O)C=CC=3C=CC=CC32)=C(C=C1Cl)S(=O)(=O)[O-].O=C([O-])C1=CC(N=NC2=C(O)C=CC=3C=CC=CC32)=C(C=C1Cl)S(=O)(=O)[O-]


name: Sodium 4,5-dichloro-2-[(2-hydroxy-1-naphthyl)azo]benzenesulphonate
cas: 5850-81-7
formula: C16H10Cl2N2O4S
inchikey: MIGUTGWZHPZBNM-UHFFFAOYSA-M
norman_susdat_id: NS00047734
pubchem_cid: NA
smiles: [Na+].O=S(=O)([O-])C1=CC(Cl)=C(Cl)C=C1N=NC2=C(O)C=CC=3C=CC=CC32
inchi:
InChI=1/C16H10Cl2N2O4S.Na/c17-11-7-13(15(8-12(11)18)25(22,23)24)19-20-16-10-4-2-1-3-9(10)5-6-14(16)21;/h1-8,21H,(H,22,23,24);/q;+1/p-1


name: C.I. Acid Orange 8, monosodium salt
cas: 5850-86-2
chemspiderid: 21172200
dtxsid: DTXSID2041709
formula: C17H14N2O4S1
inchikey: WPWNIQBSYQVEKJ-LTRPLHCISA-M
norman_susdat_id: NS00019529
pubchem_cid: NA
smiles: [Na+].Cc1c(N/N=C2/C(=O)C=Cc3ccccc23)ccc(c1)S(=O)(=O)[O-]
inchi:
InChI=1S/C17H14N2O4S/c1-11-10-13(24(21,22)23)7-8-15(11)18-19-17-14-5-3-2-4-12(14)6-9-16(17)20/h2-10,18H,1H3,(H,21,22,23)/b19-17+


name: Barium bis{4-[(2-hydroxynaphthalen-1-yl)diazenyl]-2-methylbenzene-1-sulfonate}
cas: 5850-87-3
dtxsid: DTXSID7064025
formula: C17H14N2O4S
inchikey: DYYWTFWWAKPJGZ-UHFFFAOYSA-L
norman_susdat_id: NS00047143
pubchem_cid: 79947
inchi:
InChI=1/2C17H14N2O4S.Ba/c2*1-11-10-13(7-9-16(11)24(21,22)23)18-19-17-14-5-3-2-4-12(14)6-8-15(17)20;/h2*2-10,20H,1H3,(H,21,22,23);/q;;+2/p-2

smiles:
[Ba+2].O=S(=O)([O-])C1=CC=C(N=NC2=C(O)C=CC=3C=CC=CC32)C=C1C.O=S(=O)([O-])C1=CC=C(N=NC2=C(O)C=CC=3C=CC=CC32)C=C1C


name: Sodium 5-[(2-hydroxynaphthyl)azo]naphthalenesulphonate
cas: 5850-93-1
dtxsid: DTXSID2064026
formula: C20H14N2O4S
inchikey: XNQZZTFTKVKXOR-UHFFFAOYSA-M
norman_susdat_id: NS00047735
pubchem_cid: 79949
smiles: [Na+].O=S(=O)([O-])C=1C=CC=C2C(N=NC3=C(O)C=CC=4C=CC=CC43)=CC=CC21
inchi:
InChI=1/C20H14N2O4S.Na/c23-18-12-11-13-5-1-2-6-14(13)20(18)22-21-17-9-3-8-16-15(17)7-4-10-19(16)27(24,25)26;/h1-12,23H,(H,24,25,26);/q;+1/p-1


cas: 58517-90-1
dtxsid: DTXSID60974071
formula: C35H56N4O7S
inchikey: GIFUEPRVNOQDJA-UHFFFAOYSA-N
norman_susdat_id: NS00054101
pubchem_cid: 94092
smiles: O=C(OC)C1=CN=CN1C(C(=O)NC2=CC(=CC=C2OCCCCCCCCCCCCCCCC)S(=O)(=O)NC)C(=O)C(C)(C)C
name:
Methyl 1-[1-[[[2-(hexadecyloxy)-5-[(methylamino)sulphonyl]phenyl]amino]carbonyl]-3,3-dimethyl-2-oxobutyl]-1H-imidazole-5-carboxylate

inchi:
InChI=1/C35H56N4O7S/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-46-30-22-21-27(47(43,44)36-5)24-28(30)38-33(41)31(32(40)35(2,3)4)39-26-37-25-29(39)34(42)45-6/h21-22,24-26,31,36H,7-20,23H2,1-6H3,(H,38,41)


cas: 5852-25-5
formula: C33H24N8O8S
inchikey: QCEQETFSOPFUKT-UHFFFAOYSA-L
norman_susdat_id: NS00046409
pubchem_cid: NA
name:
Disodium 1-(3-aminophenyl)-4,5-dihydro-4-[[4-[[[5-hydroxy-6-(phenylazo)-7-sulphonato-2-naphthyl]amino]carbonyl]phenyl]azo]-5-oxo-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C33H24N8O8S.2Na/c34-20-5-4-8-24(17-20)41-32(44)28(29(40-41)33(45)46)39-37-22-11-9-18(10-12-22)31(43)35-23-13-14-25-19(15-23)16-26(50(47,48)49)27(30(25)42)38-36-21-6-2-1-3-7-21;;/h1-17,28,42H,34H2,(H,35,43)(H,45,46)(H,47,48,49);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C([O-])C1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)NC=3C=CC=4C(C3)=CC(=C(N=NC=5C=CC=CC5)C4O)S(=O)(=O)[O-])C=6C=CC=C(N)C6


name: 3-(3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl)-1H-indole-7-carboxylic acid
cas: 58521-43-0
dtxsid: DTXSID20886267
formula: C21H13NO4
inchikey: DSJFZDVMXDFITE-UHFFFAOYSA-N
norman_susdat_id: NS00052792
pubchem_cid: 21116990
smiles: O=C(O)C1=CC=CC=2C(=CNC12)C3OC(=O)C=4C=CC=C5C=CC=C3C54
inchi:
InChI=1/C21H13NO4/c23-20(24)15-9-3-6-12-16(10-22-18(12)15)19-13-7-1-4-11-5-2-8-14(17(11)13)21(25)26-19/h1-10,19,22H,(H,23,24)


name: Pseurotin A
cas: 58523-30-1
chebiid: CHEBI:64535
chemspiderid: 4585445
formula: C22H25N1O8
inchikey: SLYDIPAXCVVRNY-UOWMTANKSA-N
norman_susdat_id: NS00018038
pubchem_cid: 9845622
smiles: CCC=CC(C(C1=C(C(=O)C2(O1)C(C(NC2=O)(C(=O)C3=CC=CC=C3)OC)O)C)O)O
inchi:
InChI=1S/C22H25NO8/c1-4-5-11-14(24)15(25)16-12(2)17(26)21(31-16)19(28)22(30-3,23-20(21)29)18(27)13-9-7-6-8-10-13/h5-11,14-15,19,24-25,28H,4H2,1-3H3,(H,23,29)/b11-5-/t14-,15-,19+,21+,22+/m0/s1


name: Ciprocinonide
cas: 58524-83-7
formula: C28H34F2O7
inchikey: TZBDXWBBMOEVPI-XBQQDWOSSA-N
norman_susdat_id: NS00053285
pubchem_cid: 11954352
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC5OC(OC5(C(=O)COC(=O)C6CC6)C4(C)CC(O)C32F)(C)C)C
inchi:
InChI=1/C28H34F2O7/c1-24(2)36-22-11-16-17-10-19(29)18-9-15(31)7-8-25(18,3)27(17,30)20(32)12-26(16,4)28(22,37-24)21(33)13-35-23(34)14-5-6-14/h7-9,14,16-17,19-20,22,32H,5-6,10-13H2,1-4H3


name: 2,2'-[[4-[(2,6-dichloro-4-nitrophenyl)azo]-3-methylphenyl]imino]bisethanol
cas: 58528-60-2
formula: C17H19Cl2N4O4
inchikey: VJCRGIYTUNCUJU-UHFFFAOYSA-N
norman_susdat_id: NS00053299
pubchem_cid: 42769
smiles: O=[N+]([O-])C1=CC(Cl)=C(N=NC2=CC=C(C=C2C)N(CCO)CCO)C(Cl)=C1
inchi:
InChI=1/C17H18Cl2N4O4/c1-11-8-12(22(4-6-24)5-7-25)2-3-16(11)20-21-17-14(18)9-13(23(26)27)10-15(17)19/h2-3,8-10,24-25H,4-7H2,1H3


name: Cephaeline hydrochloride
cas: 5853-29-2
formula: C28H38N2O4.2ClH
inchikey: NWYUGUJIBCMDEB-QJAXAJGISA-N
norman_susdat_id: NS00082432
smiles: Cl.CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@@H]1C[C@H]4NCCc5cc(O)c(OC)cc45
inchi:
InChI=1/C28H38N2O4.ClH/c1-5-17-16-30-9-7-19-13-27(33-3)28(34-4)15-22(19)24(30)11-20(17)10-23-21-14-26(32-2)25(31)12-18(21)6-8-29-23;/h12-15,17,20,23-24,29,31H,5-11,16H2,1-4H3;1H


name: Methyl N-L-seryl-L-tryptophanate
cas: 58537-76-1
dtxsid: DTXSID60974096
formula: C15H19N3O4
inchikey: ZGPGEVLZOGOVND-AAEUAGOBSA-N
norman_susdat_id: NS00054102
pubchem_cid: 21116991
smiles: O=C(OC)C(NC(=O)C(N)CO)CC1=CNC=2C=CC=CC21
inchi:
InChI=1/C15H19N3O4/c1-22-15(21)13(18-14(20)11(16)8-19)6-9-7-17-12-5-3-2-4-10(9)12/h2-5,7,11,13,17,19H,6,8,16H2,1H3,(H,18,20)


name: 8:2 Fluorotelomer unsaturated aldehyde
cas: 58544-13-1
chemspiderid: 16787171
formula: C10H2F16O1
inchikey: LQERGGUGOIACQD-IWQZZHSRSA-N
norman_susdat_id: NS00011096
pubchem_cid: 20111612
smiles: FC(F)(C(F)(C(F)(C(F)(F)C(F)(F)F)F)F)C(F)(F)C(F)(F)/C(F)=C/C=O
inchi:
InChI=1S/C10H2F16O/c11-3(1-2-27)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h1-2H/b3-1-


cas: 58547-80-1
chemspiderid: 84927
dtxsid: DTXSID9069265
formula: C22H29Cl2N5O5S1
inchikey: KHRQFBKQASROHI-UHFFFAOYSA-N
norman_susdat_id: NS00033951
pubchem_cid: 94103
smiles: CCN(CC)S(=O)(=O)c1c(Cl)cc(N=Nc2c(NC(=O)C)cc(cc2)N(CCO)CCO)c(Cl)c1
name:
Acetamide, N-[5-[bis(2-hydroxyethyl)amino]-2-[[2,5-dichloro-4-[(diethylamino)sulfonyl]phenyl]azo]phenyl]-

inchi:
InChI=1S/C22H29Cl2N5O5S/c1-4-29(5-2)35(33,34)22-14-17(23)20(13-18(22)24)27-26-19-7-6-16(12-21(19)25-15(3)32)28(8-10-30)9-11-31/h6-7,12-14,30-31H,4-5,8-11H2,1-3H3,(H,25,32)/b27-26+


name: 2-(4,5-dihydro-5-oxo-3-phenyl-1H-pyrazol-1-yl)benzenesulphonic acid
cas: 5855-68-5
dtxsid: DTXSID50974106
formula: C15H12N2O4S
inchikey: LJMVVICUDHEKNL-UHFFFAOYSA-N
norman_susdat_id: NS00047144
pubchem_cid: 79950
smiles: O=C1N(N=C(C=2C=CC=CC2)C1)C=3C=CC=CC3S(=O)(=O)O
inchi:
InChI=1/C15H12N2O4S/c18-15-10-12(11-6-2-1-3-7-11)16-17(15)13-8-4-5-9-14(13)22(19,20)21/h1-9H,10H2,(H,19,20,21)


name: [2,6'-Bibenzothiazole]-7-sulfonic acid, 2'-(4-aminophenyl)-6-methyl-
cas: 5855-97-0
chebiid: CHEBI:90402
chemspiderid: 72219
dtxsid: DTXSID7064029
formula: C21H15N3O3S3
inchikey: CTPFWVHDVOKBSN-UHFFFAOYSA-N
norman_susdat_id: NS00033955
pubchem_cid: 79954
smiles: Cc1c(c2c(cc1)nc(s2)c1cc2c(cc1)nc(s2)c1ccc(N)cc1)S(=O)(=O)O
inchi:
InChI=1S/C21H15N3O3S3/c1-11-2-8-16-18(19(11)30(25,26)27)29-21(24-16)13-5-9-15-17(10-13)28-20(23-15)12-3-6-14(22)7-4-12/h2-10H,22H2,1H3,(H,25,26,27)


name: 7-Benzothiazolesulfonic acid, 2-(4-amino-3-sulfophenyl)-6-methyl-
cas: 5855-98-1
chemspiderid: 72220
dtxsid: DTXSID6064030
formula: C14H12N2O6S3
inchikey: ANZCWTMNWQPOQI-UHFFFAOYSA-N
norman_susdat_id: NS00033956
pubchem_cid: 79955
smiles: Cc1c(c2c(cc1)nc(s2)c1cc(c(N)cc1)S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C14H12N2O6S3/c1-7-2-5-10-12(13(7)25(20,21)22)23-14(16-10)8-3-4-9(15)11(6-8)24(17,18)19/h2-6H,15H2,1H3,(H,17,18,19)(H,20,21,22)


name: 2-(4-(4,5-Dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl)phenyl)-6-methylbenzothiazole-7-sulphonic acid
cas: 5855-99-2
chemspiderid: 72221
dtxsid: DTXSID30207267
formula: C18H15N3O4S2
inchikey: IHXSKOQMJPMEFP-UHFFFAOYSA-N
norman_susdat_id: NS00033957
pubchem_cid: 79956
smiles: CC1=NN(C(=O)C1)c1ccc(cc1)c1nc2c(s1)c(c(C)cc2)S(=O)(=O)O
inchi:
InChI=1S/C18H15N3O4S2/c1-10-3-8-14-16(17(10)27(23,24)25)26-18(19-14)12-4-6-13(7-5-12)21-15(22)9-11(2)20-21/h3-8H,9H2,1-2H3,(H,23,24,25)


name: 2-[(2,3-dihydro-2-oxo-5-benzoxazol-yl)carbonyl]benzoic acid
cas: 58555-40-1
dtxsid: DTXSID80207272
formula: C15H9NO5
inchikey: USJCJMADQDMCDE-UHFFFAOYSA-N
norman_susdat_id: NS00054103
pubchem_cid: 94104
smiles: O=C(O)C=1C=CC=CC1C(=O)C2=CC=C3OC(=O)NC3=C2
inchi:
InChI=1/C15H9NO5/c17-13(9-3-1-2-4-10(9)14(18)19)8-5-6-12-11(7-8)16-15(20)21-12/h1-7H,(H,16,20)(H,18,19)


name: 3-(3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-ylidene)-3H-indole-7-carboxylic acid hydrochloride
cas: 58556-60-8
dtxsid: DTXSID4069266
formula: C21H11NO4
inchikey: FBJOIIPFBQNGHC-UHFFFAOYSA-N
norman_susdat_id: NS00053302
pubchem_cid: 94105
smiles: Cl.O=C(O)C=1C=CC=C2C1N=CC2=C3OC(=O)C=4C=CC=C5C=CC=C3C54
inchi:
InChI=1/C21H11NO4.ClH/c23-20(24)15-9-3-6-12-16(10-22-18(12)15)19-13-7-1-4-11-5-2-8-14(17(11)13)21(25)26-19;/h1-10H,(H,23,24);1H


name: 5alpha-Androstane-3beta,17alpha-diol
cas: 5856-11-1
chebiid: CHEBI:40836
dtxsid: DTXSID10431902
formula: C19H32O2
inchikey: CBMYJHIOYJEBSB-MFXFBURESA-N
norman_susdat_id: NS00070260
pubchem_cid: 446934
smiles: C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O
inchi:
InChI=1S/C19H32O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12-17,20-21H,3-11H2,1-2H3/t12-,13-,14-,15-,16-,17+,18-,19-/m0/s1


name: 2',3'-O-isopropylidene-6-thioinosine
cas: 5856-48-4
dtxsid: DTXSID00974111
formula: C13H16N4O4S
inchikey: HXZCOKXEDYVENB-UHFFFAOYSA-N
norman_susdat_id: NS00046410
pubchem_cid: NA
smiles: S=C1NC=NC2=C1N=CN2C3OC(CO)C4OC(OC34)(C)C
inchi:
InChI=1/C13H16N4O4S/c1-13(2)20-8-6(3-18)19-12(9(8)21-13)17-5-16-7-10(17)14-4-15-11(7)22/h4-6,8-9,12,18H,3H2,1-2H3,(H,14,15,22)


name: 2-henicosyl-4,5-dihydro-1H-imidazole-1-ethylamine
cas: 58568-58-4
dtxsid: DTXSID00207279
formula: C26H53N3
inchikey: XDQOWHAPQSSLFL-UHFFFAOYSA-N
norman_susdat_id: NS00054104
pubchem_cid: 94112
smiles: N1=C(N(CC1)CCN)CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C26H53N3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-26-28-23-25-29(26)24-22-27/h2-25,27H2,1H3


name: C.I. Pigment Blue 19
cas: 58569-23-6
chemspiderid: 21161816
dtxsid: DTXSID4069268
formula: C32H27N3O3S1
inchikey: VOMZUJSUTZAURW-UHFFFAOYSA-N
norman_susdat_id: NS00021229
pubchem_cid: NA
smiles: Cc1c(N)ccc(c1)C(=C1C=CC(=Nc2c(cccc2)S(=O)(=O)O)C=C1)c1ccc(Nc2ccccc2)cc1
inchi:
InChI=1S/C32H27N3O3S/c1-22-21-25(15-20-29(22)33)32(23-11-16-27(17-12-23)34-26-7-3-2-4-8-26)24-13-18-28(19-14-24)35-30-9-5-6-10-31(30)39(36,37)38/h2-21,34H,33H2,1H3,(H,36,37,38)/b32-24-,35-28+


name: N-[N-[N-(N-L-tyrosylglycyl)glycyl]-L-phenylalanyl]-L-methionine
cas: 58569-55-4
chebiid: CHEBI:6618
dtxsid: DTXSID90974125
formula: C27H35N5O7S
inchikey: YFGBQHOOROIVKG-FKBYEOEOSA-N
norman_susdat_id: NS00054117
pubchem_cid: 443363
smiles: O=C(O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)CC=2C=CC=CC2)CCSC
inchi:
InChI=1/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)


name: 3,3'-(Carbonyldiimino)bis(6-aminobenzenesulphonic) acid
cas: 5858-13-9
chemspiderid: 72228
dtxsid: DTXSID20207291
formula: C13H14N4O7S2
inchikey: HTCKYPGNOXCXNS-UHFFFAOYSA-N
norman_susdat_id: NS00033966
pubchem_cid: 79963
smiles: Nc1c(cc(NC(=O)Nc2cc(c(N)cc2)S(=O)(=O)O)cc1)S(=O)(=O)O
inchi:
InChI=1S/C13H14N4O7S2/c14-9-3-1-7(5-11(9)25(19,20)21)16-13(18)17-8-2-4-10(15)12(6-8)26(22,23)24/h1-6H,14-15H2,(H2,16,17,18)(H,19,20,21)(H,22,23,24)


name: Sodium 1-(1'-naphthylazo)naphth-2-ol-3,6-disulphonate
cas: 5858-33-3
formula: C20H14N2O7S2.2Na
inchikey: LHRXTFDXJQAGAV-UHFFFAOYSA-L
norman_susdat_id: NS00082457
smiles: Oc1c(N=Nc2cccc3ccccc23)c4ccc(cc4cc1S(=O)(=O)O[Na])S(=O)(=O)O[Na]
inchi:
InChI=1/C20H14N2O7S2.2Na/c23-20-18(31(27,28)29)11-13-10-14(30(24,25)26)8-9-16(13)19(20)22-21-17-7-3-5-12-4-1-2-6-15(12)17;;/h1-11,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2/rC20H12N2Na2O7S2/c23-30-32(26,27)14-8-9-16-13(10-14)11-18(33(28,29)31-24)20(25)19(16)22-21-17-7-3-5-12-4-1-2-6-15(12)17/h1-11,25H


name: Sodium 2-(4-(3-methyl-4-(phenylsulphonyloxy)phenylazo)phenylimino)-5-nitrobenzenesulphonate
cas: 5858-39-9
dtxsid: DTXSID1064035
formula: C17H14N2O5S
inchikey: ZXGIHDNEIWPDFW-LTRPLHCISA-M
norman_susdat_id: NS00047799
pubchem_cid: 22137
smiles: [Na+].O=S(=O)(O)C1=CC(N=NC=2C=CC=CC2OC)=C([O-])C=3C=CC=CC31
inchi:
InChI=1/C17H14N2O5S.Na/c1-24-15-9-5-4-8-13(15)18-19-14-10-16(25(21,22)23)11-6-2-3-7-12(11)17(14)20;/h2-10,20H,1H3,(H,21,22,23);/q;+1/p-1


name: Disodium 4-hydroxy-3-[(6-sulphonato-2-naphthyl)azo]naphthalenesulphonate
cas: 5858-42-4
formula: C20H14N2O7S2
inchikey: GDNRQFMCDFPCJA-UHFFFAOYSA-L
norman_susdat_id: NS00047194
pubchem_cid: 135755578
smiles: [Na+].[Na+].O=S(=O)([O-])C1=CC=C2C=C(N=NC=3C=C(C=4C=CC=CC4C3O)S(=O)(=O)[O-])C=CC2=C1
inchi:
InChI=1/C20H14N2O7S2.2Na/c23-20-17-4-2-1-3-16(17)19(31(27,28)29)11-18(20)22-21-14-7-5-13-10-15(30(24,25)26)8-6-12(13)9-14;;/h1-11,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2


name: Sodium 6-[(4-aminophenyl)azo]-5-hydroxynaphthalene-1-sulphonate
cas: 5858-51-5
formula: C16H13N3O4S
inchikey: VFYDFVDOOIPQHX-UHFFFAOYSA-M
norman_susdat_id: NS00047800
pubchem_cid: 91389
smiles: [Na+].O=S(=O)([O-])C1=CC=CC2=C(O)C(N=NC3=CC=C(N)C=C3)=CC=C21
inchi:
InChI=1/C16H13N3O4S.Na/c17-10-4-6-11(7-5-10)18-19-14-9-8-12-13(16(14)20)2-1-3-15(12)24(21,22)23;/h1-9,20H,17H2,(H,21,22,23);/q;+1/p-1


name: Sodium 5-hydroxy-6-(naphthylazo)naphthalenesulphonate
cas: 5858-53-7
formula: C20H14N2O4S.Na
inchikey: IDVNZMQMDGSYNQ-UHFFFAOYSA-M
norman_susdat_id: NS00082017
smiles: [Na+].[O-]S(=O)(=O)c4cccc3c4ccc(N=Nc2cccc1ccccc12)c3O
inchi:
InChI=1/C20H14N2O4S.Na/c23-20-16-8-4-10-19(27(24,25)26)15(16)11-12-18(20)22-21-17-9-3-6-13-5-1-2-7-14(13)17;/h1-12,23H,(H,24,25,26);/q;+1/p-1


name: Sodium 5-hydroxy-6-[(2-hydroxy-5-nitrophenyl)azo]naphthalene-1-sulphonate
cas: 5858-58-2
dtxsid: DTXSID1064037
formula: C16H12N3O7S
inchikey: LAGJIJRTUQNSQB-UHFFFAOYSA-M
norman_susdat_id: NS00047209
pubchem_cid: NA
smiles: [Na+].O=[N+]([O-])C1=CC=C(O)C(N=NC2=CC=C3C(C=CC=C3S(=O)(=O)[O-])=C2O)=C1
inchi:
InChI=1/C16H11N3O7S.Na/c20-14-7-4-9(19(22)23)8-13(14)18-17-12-6-5-10-11(16(12)21)2-1-3-15(10)27(24,25)26;/h1-8,20-21H,(H,24,25,26);/q;+1/p-1


name: Disodium 3-[[4-(acetylamino)phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate
cas: 5858-61-7
formula: C18H15N3O8S2
inchikey: KXKUXNYZNUPMJA-UHFFFAOYSA-L
norman_susdat_id: NS00047210
pubchem_cid: 4123598
smiles: [Na+].[Na+].O=C(NC1=CC=C(N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1)C
inchi:
InChI=1/C18H15N3O8S2.2Na/c1-10(22)19-12-2-4-13(5-3-12)20-21-17-16(31(27,28)29)9-11-8-14(30(24,25)26)6-7-15(11)18(17)23;;/h2-9,23H,1H3,(H,19,22)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2


name: Disodium 4-hydroxy-3-[(2-methoxyphenyl)azo]naphthalene-2,7-disulphonate
cas: 5858-63-9
formula: C17H14N2O8S2
inchikey: TVKSEYDZBDHCSH-UHFFFAOYSA-L
norman_susdat_id: NS00046477
pubchem_cid: NA
smiles: [Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(C1)=CC(=C(N=NC=3C=CC=CC3OC)C2O)S(=O)(=O)[O-]
inchi:
InChI=1/C17H14N2O8S2.2Na/c1-27-14-5-3-2-4-13(14)18-19-16-15(29(24,25)26)9-10-8-11(28(21,22)23)6-7-12(10)17(16)20;;/h2-9,20H,1H3,(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2


name: Disodium 3-hydroxy-4-[(4-methyl-2-sulphonatophenyl)azo]-2-naphthoate
cas: 5858-81-1
formula: C18H14N2O6S.2Na
inchikey: VPWFPZBFBFHIIL-UHFFFAOYSA-L
norman_susdat_id: NS00082464
smiles: [Na+].[Na+].[O-]S(=O)(=O)c3cc(C)ccc3N=Nc1c2ccccc2cc(C([O-])=O)c1O
inchi:
InChI=1/C18H14N2O6S.2Na/c1-10-6-7-14(15(8-10)27(24,25)26)19-20-16-12-5-3-2-4-11(12)9-13(17(16)21)18(22)23;;/h2-9,21H,1H3,(H,22,23)(H,24,25,26);;/q;2*+1/p-2


name: Disodium 4-[(4-chloro-5-methyl-2-sulphonatophenyl)azo]-3-hydroxy-2-naphthoate
cas: 5858-82-2
dtxsid: DTXSID1064039
formula: C18H13ClN2O6S
inchikey: LLCSJRIPWBZDCC-UHFFFAOYSA-L
norman_susdat_id: NS00047801
pubchem_cid: 62591
smiles: [Na+].[Na+].O=C([O-])C1=CC=2C=CC=CC2C(N=NC3=CC(=C(Cl)C=C3S(=O)(=O)[O-])C)=C1O
inchi:
InChI=1/C18H13ClN2O6S.2Na/c1-9-6-14(15(8-13(9)19)28(25,26)27)20-21-16-11-5-3-2-4-10(11)7-12(17(16)22)18(23)24;;/h2-8,22H,1H3,(H,23,24)(H,25,26,27);;/q;2*+1/p-2


name: Barium 5-[(2-chlorophenyl)azo]-6-hydroxynaphthalene-2-sulphonate
cas: 5858-88-8
dtxsid: DTXSID0064040
formula: C16H11ClN2O4S
inchikey: LFHHQQPDUWHUAA-UHFFFAOYSA-L
norman_susdat_id: NS00046778
pubchem_cid: 79972
inchi:
InChI=1/2C16H11ClN2O4S.Ba/c2*17-13-3-1-2-4-14(13)18-19-16-12-7-6-11(24(21,22)23)9-10(12)5-8-15(16)20;/h2*1-9,20H,(H,21,22,23);/q;;+2/p-2

smiles:
[Ba+2].O=S(=O)([O-])C1=CC=C2C(C=CC(O)=C2N=NC=3C=CC=CC3Cl)=C1.O=S(=O)([O-])C1=CC=C2C(C=CC(O)=C2N=NC=3C=CC=CC3Cl)=C1


name: Sodium 5-[[3-(anilinosulphonyl)-4-methylphenyl]azo]naphthalene-2-sulphonate
cas: 5858-92-4
formula: C23H19N3O5S2
inchikey: XASXOPWJXKCJPB-UHFFFAOYSA-M
norman_susdat_id: NS00046779
pubchem_cid: 3014396
smiles: [Na+].O=S(=O)([O-])C=1C=CC=2C(N=NC3=CC=C(C(=C3)S(=O)(=O)NC=4C=CC=CC4)C)=CC=CC2C1
inchi:
InChI=1/C23H19N3O5S2.Na/c1-16-10-11-19(15-23(16)32(27,28)26-18-7-3-2-4-8-18)24-25-22-9-5-6-17-14-20(33(29,30)31)12-13-21(17)22;/h2-15,26H,1H3,(H,29,30,31);/q;+1/p-1


name: Dibekacin sulphate
cas: 58580-55-5
formula: C18H37N5O8.xH2O4S
inchikey: GXKUKBCVZHBTJW-USXQJGOZSA-N
norman_susdat_id: NS00087089
inchi:
InChI=1/C18H37N5O8.H2O4S/c19-4-6-1-2-7(20)17(28-6)30-15-8(21)3-9(22)16(14(15)27)31-18-13(26)11(23)12(25)10(5-24)29-18;1-5(2,3)4/h6-18,24-27H,1-5,19-23H2;(H2,1,2,3,4)

smiles:
NC[C@@H]1CC[C@@H](N)[C@@H](O[C@@H]2[C@@H](N)C[C@@H](N)[C@H](O[C@H]3O[C@H](CO)[C@@H](O)[C@H](N)[C@H]3O)[C@H]2O)O1.OS(=O)(=O)O


name: Azelastine
cas: 58581-89-8
chebiid: CHEBI:2950
chemspiderid: 2180
dtxsid: DTXSID6022638
formula: C22H24Cl1N3O1
inchikey: MBUVEWMHONZEQD-UHFFFAOYSA-N
norman_susdat_id: NS00003187
pubchem_cid: 2267
smiles: CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O
inchi:
InChI=1S/C22H24ClN3O/c1-25-13-4-5-18(12-14-25)26-22(27)20-7-3-2-6-19(20)21(24-26)15-16-8-10-17(23)11-9-16/h2-3,6-11,18H,4-5,12-15H2,1H3


name: N-[2-[(4-amino-m-tolyl)ethylamino]ethyl]methanesulphonamide phosphate, compound with methanol (1:1)
cas: 58585-87-8
formula: C12H21N3O2S.CH4O.H3O4P
inchikey: JKYJRXHXJKVZSQ-UHFFFAOYSA-N
norman_susdat_id: NS00086661
smiles: Cc1cc(ccc1N)N(CC)CCNS(C)(=O)=O.CO.OP(O)(=O)O
inchi:
InChI=1/C12H21N3O2S.CH4O.H3O4P/c1-4-15(8-7-14-18(3,16)17)11-5-6-12(13)10(2)9-11;1-2;1-5(2,3)4/h5-6,9,14H,4,7-8,13H2,1-3H3;2H,1H3;(H3,1,2,3,4)


name: Disodium 3-hydroxy-4-(phenylazo)naphthalene-2,7-disulphonate
cas: 5859-00-7
dtxsid: DTXSID5064041
formula: C16H12N2O7S2
inchikey: DFSHKBOXDAOYFD-UHFFFAOYSA-L
norman_susdat_id: NS00046012
pubchem_cid: 22143
smiles: [Na+].[Na+].O=S(=O)([O-])C=1C=CC=2C(C1)=CC(=C(O)C2N=NC=3C=CC=CC3)S(=O)(=O)[O-]
inchi:
InChI=1/C16H12N2O7S2.2Na/c19-16-14(27(23,24)25)9-10-8-12(26(20,21)22)6-7-13(10)15(16)18-17-11-4-2-1-3-5-11;;/h1-9,19H,(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2


name: FD&C Yellow No. 6 parent
cas: 5859-11-0
chemspiderid: 5005791
dtxsid: DTXSID5044287
formula: C16H12N2O7S2
inchikey: BRRCTYIIDDWBOG-FBMGVBCBSA-N
norman_susdat_id: NS00007258
pubchem_cid: 6506529
smiles: OS(=O)(=O)c1ccc(NN=C2C(=O)C=Cc3cc(ccc23)S(O)(=O)=O)cc1
inchi:
InChI=1S/C16H12N2O7S2/c19-15-8-1-10-9-13(27(23,24)25)6-7-14(10)16(15)18-17-11-2-4-12(5-3-11)26(20,21)22/h1-9,17H,(H,20,21,22)(H,23,24,25)/b18-16+


name: 1-[2-(allyloxy)ethyl-2-(2,4-dichlorophenyl)-1H-imidazolium hydrogen sulphate
cas: 58594-72-2
formula: C14H14Cl2N2O.xH2O4S
inchikey: XVTXMTOYQVRHSK-UHFFFAOYSA-N
norman_susdat_id: NS00087368
smiles: OS(=O)(=O)O.Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1
inchi:
InChI=1/C14H14Cl2N2O.H2O4S/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16;1-5(2,3)4/h2-6,8,10,14H,1,7,9H2;(H2,1,2,3,4)


name: Methyl 2-[p-[p-(trifluoromethyl)phenoxy]phenoxy]propionate
cas: 58594-77-7
dtxsid: DTXSID10886276
formula: C17H15F3O4
inchikey: MDXGYOOITGBCBW-UHFFFAOYSA-N
norman_susdat_id: NS00053750
pubchem_cid: 94586
smiles: O=C(OC)C(OC1=CC=C(OC2=CC=C(C=C2)C(F)(F)F)C=C1)C
inchi:
InChI=1/C17H15F3O4/c1-11(16(21)22-2)23-13-7-9-15(10-8-13)24-14-5-3-12(4-6-14)17(18,19)20/h3-11H,1-2H3


name: 2-Naphthalenesulfonyl chloride, 5-[bis(methylsulfonyl)amino]-1-[(methylsulfonyl)oxy]-
cas: 58596-05-7
chemspiderid: 84941
dtxsid: DTXSID8069270
formula: C13H14Cl1N1O9S4
inchikey: YRNVMLHKHZVDMQ-UHFFFAOYSA-N
norman_susdat_id: NS00033972
pubchem_cid: 94121
smiles: CS(=O)(=O)Oc1c(ccc2c1cccc2N(S(=O)(=O)C)S(=O)(=O)C)S(=O)(=O)Cl
inchi:
InChI=1S/C13H14ClNO9S4/c1-25(16,17)15(26(2,18)19)11-6-4-5-10-9(11)7-8-12(28(14,22)23)13(10)24-27(3,20)21/h4-8H,1-3H3


name: 2-Naphthalenesulfonyl chloride, 5-(acetylamino)-1-(acetyloxy)-
cas: 58596-09-1
chemspiderid: 84945
dtxsid: DTXSID3069273
formula: C14H12Cl1N1O5S1
inchikey: GCTZQGUIBACLJL-UHFFFAOYSA-N
norman_susdat_id: NS00033974
pubchem_cid: 94125
smiles: CC(=O)Nc1cccc2c1ccc(c2OC(=O)C)S(=O)(=O)Cl
inchi:
InChI=1S/C14H12ClNO5S/c1-8(17)16-12-5-3-4-11-10(12)6-7-13(22(15,19)20)14(11)21-9(2)18/h3-7H,1-2H3,(H,16,17)


name: 3-docosenylsuccinic anhydride
cas: 58598-42-8
formula: C26H46O3
inchikey: WYSMQSIDRZXTBU-UHFFFAOYSA-N
norman_susdat_id: NS00053248
pubchem_cid: 253832
smiles: O=C1OC(=O)C(C=CCCCCCCCCCCCCCCCCCCCC)C1
inchi:
InChI=1/C26H46O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23-25(27)29-26(24)28/h21-22,24H,2-20,23H2,1H3


name: (Tetrachloro-1,3-phenylene)bis(methylene) bismethacrylate
cas: 58599-62-5
chemspiderid: 84947
dtxsid: DTXSID60207316
formula: C16H14Cl4O4
inchikey: XSMFIBMPIFMHOM-UHFFFAOYSA-N
norman_susdat_id: NS00033976
pubchem_cid: 94128
smiles: CC(=C)C(=O)OCc1c(Cl)c(COC(=O)C(=C)C)c(Cl)c(Cl)c1Cl
inchi:
InChI=1S/C16H14Cl4O4/c1-7(2)15(21)23-5-9-11(17)10(6-24-16(22)8(3)4)13(19)14(20)12(9)18/h1,3,5-6H2,2,4H3


name: (Tetrachloro-1,4-phenylene)bis(methylene) bismethacrylate
cas: 58599-63-6
chemspiderid: 84948
dtxsid: DTXSID20207317
formula: C16H14Cl4O4
inchikey: JFFXSAIBBQCTEU-UHFFFAOYSA-N
norman_susdat_id: NS00033977
pubchem_cid: 94129
smiles: CC(=C)C(=O)OCc1c(Cl)c(Cl)c(COC(=O)C(=C)C)c(Cl)c1Cl
inchi:
InChI=1S/C16H14Cl4O4/c1-7(2)15(21)23-5-9-11(17)13(19)10(14(20)12(9)18)6-24-16(22)8(3)4/h1,3,5-6H2,2,4H3


name: Dyclonine
cas: 586-60-7
chebiid: CHEBI:4724
chemspiderid: 3068
dtxsid: DTXSID6047864
formula: C18H27N1O2
inchikey: BZEWSEKUUPWQDQ-UHFFFAOYSA-N
norman_susdat_id: NS00010019
pubchem_cid: 3180
smiles: CCCCOc1ccc(cc1)C(=O)CCN1CCCCC1
inchi:
InChI=1S/C18H27NO2/c1-2-3-15-21-17-9-7-16(8-10-17)18(20)11-14-19-12-5-4-6-13-19/h7-10H,2-6,11-15H2,1H3


name: 4,4'-azobisbenzoic acid
cas: 586-91-4
formula: C14H10N2O4
inchikey: NWHZQELJCLSKNV-UHFFFAOYSA-N
norman_susdat_id: NS00042612
pubchem_cid: 11471
smiles: O=C(O)C1=CC=C(N=NC2=CC=C(C=C2)C(=O)O)C=C1
inchi:
InChI=1/C14H10N2O4/c17-13(18)9-1-5-11(6-2-9)15-16-12-7-3-10(4-8-12)14(19)20/h1-8H,(H,17,18)(H,19,20)


name: Quino[2,3-b]acridine-7,14-dione, 5,6,12,13-tetrahydro-
cas: 5862-38-4
chemspiderid: 72232
dtxsid: DTXSID4027606
formula: C20H14N2O2
inchikey: SNDAOXYSCAWUFQ-UHFFFAOYSA-N
norman_susdat_id: NS00020528
pubchem_cid: 79973
smiles: O=c1c2c(Cc3c(C2)[nH]c2c(cccc2)c3=O)[nH]c2c1cccc2
inchi:
InChI=1S/C20H14N2O2/c23-19-11-5-1-3-7-15(11)21-17-10-14-18(9-13(17)19)22-16-8-4-2-6-12(16)20(14)24/h1-8H,9-10H2,(H,21,23)(H,22,24)


name: 3-Maleimidobenzoyl N-hydroxysuccinimide
cas: 58626-38-3
chemspiderid: 78417
dtxsid: DTXSID00207335
formula: C15H10N2O6
inchikey: LLXVXPPXELIDGQ-UHFFFAOYSA-N
norman_susdat_id: NS00033981
pubchem_cid: 93861
smiles: O=C(ON1C(=O)CCC1=O)c1cc(ccc1)N1C(=O)C=CC1=O
inchi:
InChI=1S/C15H10N2O6/c18-11-4-5-12(19)16(11)10-3-1-2-9(8-10)15(22)23-17-13(20)6-7-14(17)21/h1-5,8H,6-7H2


name: Desulfo-coa
cas: 5863-40-1
dtxsid: DTXSID00974171
formula: C21H36N7O16P3
inchikey: ILWZMFJBPIYQKW-IBOSZNHHSA-N
norman_susdat_id: NS00073010
pubchem_cid: 165363
inchi:
InChI=1S/C21H36N7O16P3/c1-4-23-12(29)5-6-24-19(32)16(31)21(2,3)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28/h9-11,14-16,20,30-31H,4-8H2,1-3H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35)/t11-,14-,15-,16+,20-/m1/s1

smiles:
CCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O


name: 1,3-Benzenediol, 2,4-bis[(2,4-dimethylphenyl)azo]-
cas: 5863-44-5
chemspiderid: 4588974
dtxsid: DTXSID5064043
formula: C22H22N4O2
inchikey: WMIICSQDNIXFKP-UHFFFAOYSA-N
norman_susdat_id: NS00020432
pubchem_cid: NA
smiles: Cc1cc(C)c(N/N=C2/C=CC(=O)/C(=NNc3c(C)cc(C)cc3)/C2=O)cc1
inchi:
InChI=1S/C22H22N4O2/c1-13-5-7-17(15(3)11-13)23-25-19-9-10-20(27)21(22(19)28)26-24-18-8-6-14(2)12-16(18)4/h5-12,23-24H,1-4H3/b25-19-,26-21+


name: CI 42170
cas: 5863-51-4
chemspiderid: NA
formula: C39H41Cl1N2O6S2
inchikey: WZYJUXMILMTLCW-UHFFFAOYSA-N
norman_susdat_id: NS00013505
pubchem_cid: NA
inchi:
InChI=1S/C39H39ClN2O6S2.Na/c1-5-41(25-29-11-9-13-33(23-29)49(43,44)45)31-17-19-35(27(3)21-31)39(37-15-7-8-16-38(37)40)36-20-18-32(22-28(36)4)42(6-2)26-30-12-10-14-34(24-30)50(46,47)48;/h7-24H,5-6,25-26H2,1-4H3,(H-,43,44,45,46,47,48);/q;+1/p-1

smiles:
[Na+].CCN(Cc1cccc(c1)[S]([O-])(=O)=O)c2ccc([C+](c3ccc(cc3C)N(CC)Cc4cccc(c4)[S]([O-])(=O)=O)c5ccccc5Cl)c(C)c2


cas: 5863-88-7
formula: C33H22N6O5S3
inchikey: QGAKSIUZYIIJGH-UHFFFAOYSA-M
norman_susdat_id: NS00046708
pubchem_cid: NA
name:
Sodium 2'-[4-[[2,4-dihydroxy-3-(phenylazo)phenyl]azo]phenyl]-6-methyl[2,6'-bibenzothiazole]-7-sulphonate

inchi:
InChI=1/C33H22N6O5S3.Na/c1-18-7-13-25-30(31(18)47(42,43)44)46-33(35-25)20-10-14-23-27(17-20)45-32(34-23)19-8-11-22(12-9-19)36-38-24-15-16-26(40)28(29(24)41)39-37-21-5-3-2-4-6-21;/h2-17,40-41H,1H3,(H,42,43,44);/q;+1/p-1

smiles:
[Na+].O=S(=O)([O-])C=1C=2SC(=NC2C=CC1C)C3=CC=C4N=C(SC4=C3)C5=CC=C(N=NC6=CC=C(O)C(N=NC=7C=CC=CC7)=C6O)C=C5


name: Disodium 8-[[4-(acetylcyclohexylamino)phenyl]azo]-7-hydroxynaphthalene-1,3-disulphonate
cas: 5863-95-6
dtxsid: DTXSID0064044
formula: C24H25N3O8S2
inchikey: WLFRNSIJIIFBAL-UHFFFAOYSA-L
norman_susdat_id: NS00046709
pubchem_cid: 79976
smiles: [Na+].[Na+].O=C(N(C1=CC=C(N=NC=2C(O)=CC=C3C=C(C=C(C32)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1)C4CCCCC4)C
inchi:
InChI=1/C24H25N3O8S2.2Na/c1-15(28)27(18-5-3-2-4-6-18)19-10-8-17(9-11-19)25-26-24-21(29)12-7-16-13-20(36(30,31)32)14-22(23(16)24)37(33,34)35;;/h7-14,18,29H,2-6H2,1H3,(H,30,31,32)(H,33,34,35);;/q;2*+1/p-2


name: (S)-5-[[1-benzyl-2-[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]-2-oxoethyl]amino]-5-oxovaleric acid
cas: 58632-47-6
dtxsid: DTXSID80974179
formula: C24H24N2O6
inchikey: OTPFOMJAYSBYOD-IBGZPJMESA-N
norman_susdat_id: NS00052506
pubchem_cid: 13819625
smiles: O=C1OC=2C=C(C=CC2C(=C1)C)NC(=O)C(NC(=O)CCCC(=O)O)CC=3C=CC=CC3
inchi:
InChI=1/C24H24N2O6/c1-15-12-23(30)32-20-14-17(10-11-18(15)20)25-24(31)19(13-16-6-3-2-4-7-16)26-21(27)8-5-9-22(28)29/h2-4,6-7,10-12,14,19H,5,8-9,13H2,1H3,(H,25,31)(H,26,27)(H,28,29)


name: Butyltris[(1-oxodocosyl)oxy]stannane
cas: 58636-10-5
dtxsid: DTXSID3069279
formula: C70H138O6Sn
inchikey: VBGJSFNCACJCBQ-UHFFFAOYSA-K
norman_susdat_id: NS00052931
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)CCCCCCCCCCCCCCCCCCCCC)(OC(=O)CCCCCCCCCCCCCCCCCCCCC)CCCC)CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/3C22H44O2.C4H9.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24;1-3-4-2;/h3*2-21H2,1H3,(H,23,24);1,3-4H2,2H3;/q;;;;+3/p-3/rC70H138O6Sn/c1-5-9-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58-61-64-68(71)74-77(67-12-8-4,75-69(72)65-62-59-56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-10-6-2)76-70(73)66-63-60-57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-11-7-3/h5-67H2,1-4H3


name: PH 797804
cas: 586379-66-0
chebiid: CHEBI:82715
dtxsid: DTXSID70207342
formula: C22H19BrF2N2O3
inchikey: KCAJXIDMCNPGHZ-UHFFFAOYSA-N
norman_susdat_id: NS00071024
pubchem_cid: 22049997
smiles: CNC(=O)c1ccc(C)c(-n2c(C)cc(OCc3ccc(F)cc3F)c(Br)c2=O)c1
inchi:
InChI=1S/C22H19BrF2N2O3/c1-12-4-5-14(21(28)26-3)9-18(12)27-13(2)8-19(20(23)22(27)29)30-11-15-6-7-16(24)10-17(15)25/h4-10H,11H2,1-3H3,(H,26,28)


name: Dipotassium octenylsuccinate
cas: 58641-28-4
formula: C12H20O4.2K
inchikey: SHNNJNCGZLQUMY-UHFFFAOYSA-L
norman_susdat_id: NS00086135
smiles: [K+].[K+].[O-]C(=O)CC(C=CCCCCCC)C([O-])=O
inchi:
InChI=1/C12H20O4.2K/c1-2-3-4-5-6-7-8-10(12(15)16)9-11(13)14;;/h7-8,10H,2-6,9H2,1H3,(H,13,14)(H,15,16);;/q;2*+1/p-2


name: p-nitrophenyl S-(acetamidomethyl)-N-(tert-butoxycarbonyl)-L-cysteinate
cas: 58651-76-6
dtxsid: DTXSID40974190
formula: C17H24N3O7S
inchikey: YMMVJNPHWLDKCQ-AWEZNQCLSA-N
norman_susdat_id: NS00052847
pubchem_cid: 12932263
smiles: O=C(OC(C)(C)C)NC(C(=O)OC1=CC=C(C=C1)[N+](=O)[O-])CSCNC(=O)C
inchi:
InChI=1/C17H23N3O7S/c1-11(21)18-10-28-9-14(19-16(23)27-17(2,3)4)15(22)26-13-7-5-12(6-8-13)20(24)25/h5-8,14H,9-10H2,1-4H3,(H,18,21)(H,19,23)


name: 17-hydroxy-6-methylene-19-norpregn-4-ene-3,20-dione 17-acetate
cas: 58652-19-0
dtxsid: DTXSID00974191
formula: C23H30O4
inchikey: YBBDZPBFRFPTJE-YQLZSBIMSA-N
norman_susdat_id: NS00052952
pubchem_cid: 13505134
smiles: O=C(OC1(C(=O)C)CCC2C3CC(=C)C4=CC(=O)CCC4C3CCC21C)C
inchi:
InChI=1/C23H30O4/c1-13-11-20-18(17-6-5-16(26)12-19(13)17)7-9-22(4)21(20)8-10-23(22,14(2)24)27-15(3)25/h12,17-18,20-21H,1,5-11H2,2-4H3


name: Nomegestrol acetate
cas: 58652-20-3
chemspiderid: 10675311
dtxsid: DTXSID90207349
formula: C23H30O4
inchikey: IIVBFTNIGYRNQY-UHFFFAOYSA-N
norman_susdat_id: NS00005994
pubchem_cid: 13505135
smiles: CC(=O)OC1(CCC2C3C=C(C)C4=CC(=O)CCC4C3CCC12C)C(C)=O
inchi:
InChI=1S/C23H30O4/c1-13-11-20-18(17-6-5-16(26)12-19(13)17)7-9-22(4)21(20)8-10-23(22,14(2)24)27-15(3)25/h11-12,17-18,20-21H,5-10H2,1-4H3


name: Meclonazepam
cas: 58662-84-3
chemspiderid: 2298544
dtxsid: DTXSID10207366
formula: C16H12ClN3O3
inchikey: LMUVYJCAFWGNSY-VIFPVBQESA-N
norman_susdat_id: NS00098699
pubchem_cid: 3033985
smiles: C[C@H]1C(=O)Nc2ccc(cc2C(=N1)c3ccccc3Cl)[N+](=O)[O-]
inchi:
InChI=1S/C16H12ClN3O3/c1-9-16(21)19-14-7-6-10(20(22)23)8-12(14)15(18-9)11-4-2-3-5-13(11)17/h2-9H,1H3,(H,19,21)/t9-/m0/s1


name: Cefazaflur
cas: 58665-96-6
chemspiderid: 36777
dtxsid: DTXSID30207368
formula: C13H13F3N6O4S3
inchikey: HGXLJRWXCXSEJO-GMSGAONNSA-N
norman_susdat_id: NS00010497
pubchem_cid: 40240
smiles: Cn1c(nnn1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)CSC(F)(F)F)SC2)C(=O)O
inchi:
InChI=1S/C13H13F3N6O4S3/c1-21-12(18-19-20-21)28-3-5-2-27-10-7(9(24)22(10)8(5)11(25)26)17-6(23)4-29-13(14,15)16/h7,10H,2-4H2,1H3,(H,17,23)(H,25,26)/t7-,10-/m1/s1


name: Flamprop
cas: 58667-63-3
chebiid: CHEBI:82179
chemspiderid: 39044
dtxsid: DTXSID1058137
formula: C16H13Cl1F1N1O3
inchikey: YQVMVCCFZCMYQB-UHFFFAOYSA-N
norman_susdat_id: NS00010487
pubchem_cid: 42807
smiles: CC(C(=O)O)N(c1ccc(c(c1)Cl)F)C(=O)c2ccccc2
inchi:
InChI=1S/C16H13ClFNO3/c1-10(16(21)22)19(12-7-8-14(18)13(17)9-12)15(20)11-5-3-2-4-6-11/h2-10H,1H3,(H,21,22)


name: 4-Methoxy-3-((3-(4-methoxyphenyl)-1,3-dioxopropyl)amino)benzoic acid
cas: 5867-18-5
chemspiderid: 72234
dtxsid: DTXSID00207370
formula: C18H17N1O6
inchikey: ODEIFSHWKMXEGJ-UHFFFAOYSA-N
norman_susdat_id: NS00033989
pubchem_cid: 79977
smiles: COc1ccc(cc1)C(=O)CC(=O)Nc1c(OC)ccc(c1)C(=O)O
inchi:
InChI=1S/C18H17NO6/c1-24-13-6-3-11(4-7-13)15(20)10-17(21)19-14-9-12(18(22)23)5-8-16(14)25-2/h3-9H,10H2,1-2H3,(H,19,21)(H,22,23)


name: 1-Tetradecanol, 2-decyl-
cas: 58670-89-6
chemspiderid: 84727
dtxsid: DTXSID60886281
formula: C24H50O1
inchikey: CAYHVMBQBLYQMT-UHFFFAOYSA-N
norman_susdat_id: NS00009002
pubchem_cid: 93875
smiles: CCCCCCCCCCCCC(CO)CCCCCCCCCC
inchi:
InChI=1S/C24H50O/c1-3-5-7-9-11-13-14-16-18-20-22-24(23-25)21-19-17-15-12-10-8-6-4-2/h24-25H,3-23H2,1-2H3


name: 5-(Tridecafluorohexyl)uridine
cas: 58671-32-2
dtxsid: DTXSID90896292
formula: C15H11F13N2O6
inchikey: KUGJPYIIQHQEJQ-UAKXSSHOSA-N
norman_susdat_id: NS00112158
smiles: OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=C(C(=O)NC1=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C15H11F13N2O6/c16-10(17,11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28)3-1-30(9(35)29-7(3)34)8-6(33)5(32)4(2-31)36-8/h1,4-6,8,31-33H,2H2,(H,29,34,35)/t4-,5-,6-,8-/m1/s1


name: 2'-Deoxy-5-(nonafluorobutyl)uridine
cas: 58671-35-5
dtxsid: DTXSID10628658
formula: C13H11F9N2O5
inchikey: JTJAXTDUPYESRS-RRKCRQDMSA-N
norman_susdat_id: NS00109183
smiles: OC[C@H]1O[C@H](C[C@@H]1O)N1C=C(C(=O)NC1=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C13H11F9N2O5/c14-10(15,11(16,17)12(18,19)13(20,21)22)4-2-24(9(28)23-8(4)27)7-1-5(26)6(3-25)29-7/h2,5-7,25-26H,1,3H2,(H,23,27,28)/t5-,6+,7+/m0/s1


name: Isopenicillin n
cas: 58678-43-6
chebiid: CHEBI:18165
dtxsid: DTXSID30331516
formula: C14H21N3O6S
inchikey: MIFYHUACUWQUKT-GTQWGBSQSA-N
norman_susdat_id: NS00069793
pubchem_cid: 440723
smiles: CC1(C)S[C@@H]2[C@H](NC(=O)CCC[C@H](N)C(=O)O)C(=O)N2[C@H]1C(=O)O
inchi:
InChI=1S/C14H21N3O6S/c1-14(2)9(13(22)23)17-10(19)8(11(17)24-14)16-7(18)5-3-4-6(15)12(20)21/h6,8-9,11H,3-5,15H2,1-2H3,(H,16,18)(H,20,21)(H,22,23)/t6-,8+,9-,11+/m0/s1


name: Niceritrol
cas: 5868-05-3
chebiid: CHEBI:31903
dtxsid: DTXSID1023364
formula: C29H24N4O8
inchikey: KUEUWHJGRZKESU-UHFFFAOYSA-N
norman_susdat_id: NS00046710
pubchem_cid: 4476
smiles: O=C(OCC(COC(=O)C=1C=NC=CC1)(COC(=O)C=2C=NC=CC2)COC(=O)C=3C=NC=CC3)C=4C=NC=CC4
inchi:
InChI=1/C29H24N4O8/c34-25(21-5-1-9-30-13-21)38-17-29(18-39-26(35)22-6-2-10-31-14-22,19-40-27(36)23-7-3-11-32-15-23)20-41-28(37)24-8-4-12-33-16-24/h1-16H,17-20H2


name: Fentonium bromide
cas: 5868-06-4
dtxsid: DTXSID20974214
formula: C31H34NO4
inchikey: MPLNGQBULSHWQW-QVAORWODSA-M
norman_susdat_id: NS00046781
pubchem_cid: 20054910
smiles: [Br-].O=C(OC1CC2CCC(C1)[N+]2(C)CC(=O)C=3C=CC(=CC3)C=4C=CC=CC4)C(C=5C=CC=CC5)CO
inchi:
InChI=1/C31H34NO4.BrH/c1-32(20-30(34)25-14-12-23(13-15-25)22-8-4-2-5-9-22)26-16-17-27(32)19-28(18-26)36-31(35)29(21-33)24-10-6-3-7-11-24;/h2-15,26-29,33H,16-21H2,1H3;1H/q+1;/p-1


cas: 58684-54-1
dtxsid: DTXSID00974217
formula: C14H15ClN2O7S
inchikey: IKRWLWZYTNQCOD-GWCFXTLKSA-N
norman_susdat_id: NS00052507
pubchem_cid: 93879
smiles: O=C(O)C1=C(COC(=O)C)CSC2N1C(=O)C2NC(=O)CC(=O)CCl
name:
(6R-trans)-3-(acetoxymethyl)-7-[(4-chloro-1,3-dioxobutyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

inchi:
InChI=1/C14H15ClN2O7S/c1-6(18)24-4-7-5-25-13-10(16-9(20)2-8(19)3-15)12(21)17(13)11(7)14(22)23/h10,13H,2-5H2,1H3,(H,16,20)(H,22,23)


name: (S)-2-benzamido-3-(p-hydroxyphenyl)propionamide
cas: 58690-81-6
dtxsid: DTXSID30974220
formula: C16H16N2O3
inchikey: QYBPBEKJXBRSGI-AWEZNQCLSA-N
norman_susdat_id: NS00052508
pubchem_cid: 6931618
smiles: O=C(N)C(NC(=O)C=1C=CC=CC1)CC2=CC=C(O)C=C2
inchi:
InChI=1/C16H16N2O3/c17-15(20)14(10-11-6-8-13(19)9-7-11)18-16(21)12-4-2-1-3-5-12/h1-9,14,19H,10H2,(H2,17,20)(H,18,21)


name: Nomegestrol
cas: 58691-88-6
chemspiderid: 62024
formula: C21H28O3
inchikey: KZUIYQJTUIACIG-UHFFFAOYSA-N
norman_susdat_id: NS00040681
pubchem_cid: 68783
smiles: CC(=O)C1(O)CCC2C3C=C(C)C4=CC(=O)CCC4C3CCC12C
inchi:
InChI=1S/C21H28O3/c1-12-10-18-16(15-5-4-14(23)11-17(12)15)6-8-20(3)19(18)7-9-21(20,24)13(2)22/h10-11,15-16,18-19,24H,4-9H2,1-3H3


name: Tertiapin
cas: 58694-52-3
dtxsid: DTXSID10897241
formula: C106H180N34O23S5
inchikey: QWKNGDWCZWKGME-NPHAJLTCSA-N
norman_susdat_id: NS00075399
inchi:
InChI=1S/C106H180N34O23S5/c1-11-56(7)83(137-93(151)68(32-24-39-118-106(115)116)126-97(155)73(45-80(112)141)130-101(159)78(53-167)136-98(156)74(46-81(113)142)131-100(158)77(52-166)135-94(152)70(42-55(5)6)128-87(145)58(9)111)103(161)138-84(57(8)12-2)104(162)139-85(59(13-3)14-4)105(163)140-40-25-33-79(140)102(160)132-72(44-61-48-117-54-121-61)96(154)127-69(34-41-168-10)92(150)134-76(51-165)99(157)129-71(43-60-47-119-63-27-16-15-26-62(60)63)95(153)125-66(29-18-21-36-108)90(148)124-67(30-19-22-37-109)91(149)133-75(50-164)88(146)120-49-82(143)122-65(31-23-38-110)89(147)123-64(86(114)144)28-17-20-35-107/h15-16,26-27,47-48,54-59,64-79,83-85,119,164-167H,11-14,17-25,28-46,49-53,107-111H2,1-10H3,(H2,112,141)(H2,113,142)(H2,114,144)(H,117,121)(H,120,146)(H,122,143)(H,123,147)(H,124,148)(H,125,153)(H,126,155)(H,127,154)(H,128,145)(H,129,157)(H,130,159)(H,131,158)(H,132,160)(H,133,149)(H,134,150)(H,135,152)(H,136,156)(H,137,151)(H,138,161)(H,139,162)(H4,115,116,118)/t56-,57-,58-,64?,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76?,77-,78-,79-,83-,84-,85-/m0/s1

smiles:
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(CC)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CCSC)C(=O)NC(CS)C(=O)N[C@@H](CC1=CNC2=C1C=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCN)C(=O)NC(CCCCN)C(N)=O


name: 4,4'-Dinitrodiphenylurea
cas: 587-90-6
chemspiderid: 9137
dtxsid: DTXSID0043761
formula: C13H10N4O5
inchikey: JEZZOKXIXNSKQD-UHFFFAOYSA-N
norman_susdat_id: NS00005451
pubchem_cid: 9509
smiles: [O-][N+](=O)c1ccc(NC(=O)Nc2ccc(cc2)[N+]([O-])=O)cc1
inchi:
InChI=1S/C13H10N4O5/c18-13(14-9-1-5-11(6-2-9)16(19)20)15-10-3-7-12(8-4-10)17(21)22/h1-8H,(H2,14,15,18)


name: C.I. Acid Yellow 36, monosodium salt
cas: 587-98-4
chemspiderid: 11005
dtxsid: DTXSID5041722
formula: C18H15N3O3S1
inchikey: NYGZLYXAPMMJTE-ANVLNOONSA-M
norman_susdat_id: NS00019530
pubchem_cid: NA
smiles: [Na+].[O-]S(=O)(=O)c1cccc(c1)N=Nc1ccc(Nc2ccccc2)cc1
inchi:
InChI=1S/C18H15N3O3S/c22-25(23,24)18-8-4-7-17(13-18)21-20-16-11-9-15(10-12-16)19-14-5-2-1-3-6-14/h1-13,19H,(H,22,23,24)/b21-20+


name: 2-(2-(1-hydroxycyclopentyl)-2-phenylacetoxy)ethyldimethylammonium chloride
cas: 5870-29-1
formula: C17H25NO3.ClH
inchikey: RHKZVMUBMXGOLL-UHFFFAOYSA-N
norman_susdat_id: NS00082172
smiles: [Cl-].C[NH+](C)CCOC(=O)C(c1ccccc1)C2(O)CCCC2
inchi:
InChI=1/C17H25NO3.ClH/c1-18(2)12-13-21-16(19)15(14-8-4-3-5-9-14)17(20)10-6-7-11-17;/h3-5,8-9,15,20H,6-7,10-13H2,1-2H3;1H


cas: 58715-13-2
formula: C25H44N2O2
inchikey: OEYUWWCFXWJQJJ-KVVVOXFISA-N
norman_susdat_id: NS00052509
pubchem_cid: 6453681
smiles: O=C1C=CC(=O)N1CCCNCCCCCCCCC=CCCCCCCCC.O=P(O)(OCCCCCCCC)OCCCCCCCC
name:
Dioctyl hydrogen phosphate, compound with (Z)-1-[3-(octadec-9-enylamino)propyl]-1H-pyrrole-2,5-dione (1:1)

inchi:
InChI=1/C25H44N2O2.C16H35O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-22-18-23-27-24(28)19-20-25(27)29;1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2/h9-10,19-20,26H,2-8,11-18,21-23H2,1H3;3-16H2,1-2H3,(H,17,18)


name: 1,2,3,8-tetrahydro-1,2,3,3,8-pentamethyl-5-(trifluoromethyl)-7H-pyrrolo[3,2-g]quinolin-7-one
cas: 58721-74-7
dtxsid: DTXSID20886282
formula: C17H19F3N2O
inchikey: IOUKYANHUBKAIN-UHFFFAOYSA-N
norman_susdat_id: NS00053848
pubchem_cid: 93886
smiles: O=C1C=C(C=2C=C3C(=CC2N1C)N(C)C(C)C3(C)C)C(F)(F)F
inchi:
InChI=1/C17H19F3N2O/c1-9-16(2,3)12-6-10-11(17(18,19)20)7-15(23)22(5)13(10)8-14(12)21(9)4/h6-9H,1-5H3


name: Sodium 5-oxo-1-palmitoyl-L-prolinate
cas: 58725-33-0
dtxsid: DTXSID80974255
formula: C21H37NO4
inchikey: YHJSWPBXHVITHU-FERBBOLQSA-M
norman_susdat_id: NS00052510
pubchem_cid: 9865153
smiles: [Na+].O=C(N1C(=O)CCC1C(=O)[O-])CCCCCCCCCCCCCCC
inchi:
InChI=1/C21H37NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)22-18(21(25)26)16-17-20(22)24;/h18H,2-17H2,1H3,(H,25,26);/q;+1/p-1


name: 1-(1-oxododecyl)-L-proline
cas: 58725-39-6
dtxsid: DTXSID40974256
formula: C17H31NO3
inchikey: AJWFQCNUNFFTHX-HNNXBMFYSA-N
norman_susdat_id: NS00052849
pubchem_cid: 10108670
smiles: O=C(N1CCCC1C(=O)O)CCCCCCCCCCC
inchi:
InChI=1/C17H31NO3/c1-2-3-4-5-6-7-8-9-10-13-16(19)18-14-11-12-15(18)17(20)21/h15H,2-14H2,1H3,(H,20,21)


name: Sodium N-palmitoyl-L-serinate
cas: 58725-46-5
formula: C19H37NO4.Na
inchikey: XKMKJRANXQGSEK-LMOVPXPDSA-M
norman_susdat_id: NS00086200
smiles: [Na+].CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)[O-]
inchi:
InChI=1/C19H37NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(22)20-17(16-21)19(23)24;/h17,21H,2-16H2,1H3,(H,20,22)(H,23,24);/q;+1/p-1


name: N2-(1-oxohexadecyl)-L-arginine
cas: 58725-47-6
dtxsid: DTXSID00974257
formula: C22H44N4O3
inchikey: DENIQPHQUIGDJZ-IBGZPJMESA-N
norman_susdat_id: NS00053849
pubchem_cid: 11223678
smiles: O=C(NC(C(=O)O)CCCNC(=N)N)CCCCCCCCCCCCCCC
inchi:
InChI=1/C22H44N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(27)26-19(21(28)29)16-15-18-25-22(23)24/h19H,2-18H2,1H3,(H,26,27)(H,28,29)(H4,23,24,25)


name: Sodium N-stearoyl-L-serinate
cas: 58725-55-6
dtxsid: DTXSID00207431
formula: C21H41NO4
inchikey: AJDJGUAWEVOKSZ-FYZYNONXSA-M
norman_susdat_id: NS00052522
pubchem_cid: 21522464
smiles: [Na+].O=C(NC(C(=O)[O-])CO)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C21H41NO4.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)22-19(18-23)21(25)26;/h19,23H,2-18H2,1H3,(H,22,24)(H,25,26);/q;+1/p-1


name: CI 45220
cas: 5873-16-5
chemspiderid: 23089917
formula: C25H27N2O7S2
inchikey: FMTJTFYQZUCZII-UHFFFAOYSA-N
norman_susdat_id: NS00013512
pubchem_cid: NA
smiles: [Na+].CCNc1cc2[o+]c3cc(NCC)c(C)cc3c(c2cc1C)c4ccc(cc4[S]([O-])(=O)=O)[S]([O-])(=O)=O
inchi:
InChI=1S/C25H26N2O7S2.Na/c1-5-26-20-12-22-18(9-14(20)3)25(19-10-15(4)21(27-6-2)13-23(19)34-22)17-8-7-16(35(28,29)30)11-24(17)36(31,32)33;/h7-13,26-27H,5-6H2,1-4H3,(H-,28,29,30,31,32,33);/q;+1/p-1


cas: 5873-19-8
formula: C26H22ClN5O8S2
inchikey: HUWGGRICTGXHMF-UHFFFAOYSA-L
norman_susdat_id: NS00046014
pubchem_cid: 5161430
name:
Disodium 7-(acetylamino)-3-[[4-[(4-chloro-2-sulphonatophenyl)azo]-2,5-dimethylphenyl]azo]-4-hydroxynaphthalene-2-sulphonate

inchi:
InChI=1/C26H22ClN5O8S2.2Na/c1-13-9-22(14(2)8-21(13)30-29-20-7-4-17(27)12-23(20)41(35,36)37)31-32-25-24(42(38,39)40)11-16-10-18(28-15(3)33)5-6-19(16)26(25)34;;/h4-12,34H,1-3H3,(H,28,33)(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC(=C(N=NC4=CC=C(Cl)C=C4S(=O)(=O)[O-])C=C3C)C)C2O)S(=O)(=O)[O-])C


cas: 5873-20-1
formula: C23H18N6O8S2
inchikey: UCIAVFMGTWNMHG-UHFFFAOYSA-L
norman_susdat_id: NS00046073
pubchem_cid: 3019542
name:
Disodium 7-[(aminocarbonyl)amino]-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C23H18N6O8S2.2Na/c24-23(31)25-17-7-10-19-13(11-17)12-20(39(35,36)37)21(22(19)30)29-28-15-3-1-14(2-4-15)26-27-16-5-8-18(9-6-16)38(32,33)34;;/h1-12,30H,(H3,24,25,31)(H,32,33,34)(H,35,36,37);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(N)NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(N=NC4=CC=C(C=C4)S(=O)(=O)[O-])C=C3)C2O)S(=O)(=O)[O-]


cas: 5873-24-5
formula: C30H23N5O8S2
inchikey: IYMCOVNZPOGMGS-UHFFFAOYSA-L
norman_susdat_id: NS00047356
pubchem_cid: NA
name:
Disodium 7-(benzoylamino)-4-hydroxy-3-[[2-methyl-4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C30H23N5O8S2.2Na/c1-18-15-23(33-32-21-7-11-24(12-8-21)44(38,39)40)10-14-26(18)34-35-28-27(45(41,42)43)17-20-16-22(9-13-25(20)29(28)36)31-30(37)19-5-3-2-4-6-19;;/h2-17,36H,1H3,(H,31,37)(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(N=NC4=CC=C(C=C4)S(=O)(=O)[O-])C=C3C)C2O)S(=O)(=O)[O-])C=5C=CC=CC5


cas: 5873-26-7
formula: C31H25N5O8S2
inchikey: NOGYRZIAOOBEPV-UHFFFAOYSA-L
norman_susdat_id: NS00046074
pubchem_cid: NA
name:
Disodium 7-(benzoylamino)-4-hydroxy-3-[[3-methyl-4-[(2-methyl-4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C31H25N5O8S2.2Na/c1-18-14-23(9-12-26(18)34-35-27-13-10-24(15-19(27)2)45(39,40)41)33-36-29-28(46(42,43)44)17-21-16-22(8-11-25(21)30(29)37)32-31(38)20-6-4-3-5-7-20;;/h3-17,37H,1-2H3,(H,32,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(N=NC4=CC=C(C=C4C)S(=O)(=O)[O-])C(=C3)C)C2O)S(=O)(=O)[O-])C=5C=CC=CC5


name: Roquefortine C
cas: 58735-64-1
chemspiderid: 4514010
dtxsid: DTXSID20891816
formula: C22H23N5O2
inchikey: SPWSUFUPTSJWNG-JJUKSXGLSA-N
norman_susdat_id: NS00018320
pubchem_cid: 21608802
smiles: CC(C)(C=C)C12CC3C(=O)NC(=CC4=CN=CN4)C(=O)N3C1NC5=CC=CC=C25
inchi:
InChI=1S/C22H23N5O2/c1-4-21(2,3)22-10-17-18(28)25-16(9-13-11-23-12-24-13)19(29)27(17)20(22)26-15-8-6-5-7-14(15)22/h4-9,11-12,17,20,26H,1,10H2,2-3H3,(H,23,24)(H,25,28)/b16-9+/t17-,20-,22+/m0/s1


name: Amicycline
cas: 5874-95-3
chemspiderid: 16736570
formula: C21H23N3O7
inchikey: LRJNBPUJLBQLEI-CROFIWJMSA-N
norman_susdat_id: NS00011922
pubchem_cid: NA
smiles: CN(C)[C@H]1[C@@H]2C[C@@H]3Cc4ccc(c(c4C(=O)C3=C([C@@]2(C(=O)C(=C1O)C(=O)N)O)O)O)N
inchi:
InChI=1S/C21H23N3O7/c1-24(2)14-9-6-8-5-7-3-4-10(22)15(25)11(7)16(26)12(8)18(28)21(9,31)19(29)13(17(14)27)20(23)30/h3-4,8-9,14,25,27-28,31H,5-6,22H2,1-2H3,(H2,23,30)/t8-,9-,14-,21-/m0/s1


name: Orciprenaline sulphate
cas: 5874-97-5
formula: C11H17NO3.1/2H2O4S
inchikey: KSADBGVWHQJPAL-UHFFFAOYSA-N
norman_susdat_id: NS00081823
smiles: CC(C)NCC(O)c1cc(O)cc(O)c1.OS(=O)(=O)O
inchi:
InChI=1/C11H17NO3.H2O4S/c1-7(2)12-6-11(15)8-3-9(13)5-10(14)4-8;1-5(2,3)4/h3-5,7,11-15H,6H2,1-2H3;(H2,1,2,3,4)


name: Testosterone ketolaurate
cas: 5874-98-6
formula: C31H48O4
inchikey: LTGBMQYUNNUCHA-DQUDHZTESA-N
norman_susdat_id: NS00046075
pubchem_cid: 68644
smiles: O=C(OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)CC(=O)CCCCCCCCC
inchi:
InChI=1/C31H48O4/c1-4-5-6-7-8-9-10-11-23(32)21-29(34)35-28-15-14-26-25-13-12-22-20-24(33)16-18-30(22,2)27(25)17-19-31(26,28)3/h20,25-28H,4-19,21H2,1-3H3


name: (9S)-9-hydroxy-6'-methoxycinchonanium nitrate
cas: 58748-01-9
formula: C20H24N2O2.HNO3
inchikey: LZGSASGONPPEFY-VJAUXQICSA-O
norman_susdat_id: NS00085848
smiles: COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C=C)c2c1.[O-][N+](=O)[O-]
inchi:
InChI=1/C20H24N2O2.NO3/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;2-1(3)4/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;/q;-1/p+1


name: Licochalcone A
cas: 58749-22-7
chebiid: CHEBI:174541
chemspiderid: 4477422
formula: C21H22O4
inchikey: KAZSKMJFUPEHHW-DHZHZOJOSA-N
norman_susdat_id: NS00018057
pubchem_cid: 5318998
smiles: CC(C)(C=C)C1=C(C=C(C(=C1)C=CC(=O)C2=CC=C(C=C2)O)OC)O
inchi:
InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+


name: (5alpha,6alpha)-4,5-Epoxy-6-hydroxy-17-methylmorphinan-3-yl acetate
cas: 58752-60-6
chemspiderid: 19017270
dtxsid: DTXSID50207486
formula: C19H23N1O4
inchikey: KEJODKYTBSFQKS-LEPYJNQMSA-N
norman_susdat_id: NS00034012
pubchem_cid: 14084753
smiles: CN1CCC23C4Oc5c(OC(=O)C)ccc(CC1C2CCC4O)c35
inchi:
InChI=1S/C19H23NO4/c1-10(21)23-15-6-3-11-9-13-12-4-5-14(22)18-19(12,7-8-20(13)2)16(11)17(15)24-18/h3,6,12-14,18,22H,4-5,7-9H2,1-2H3/t12-,13-,14-,18+,19+/m1/s1


name: Iferanserin
cas: 58754-46-4
dtxsid: DTXSID60866705
formula: C23H28N2O
inchikey: UXIPFQUBOVWAQW-UEBLJOKOSA-N
norman_susdat_id: NS00069986
pubchem_cid: 6445539
smiles: CN1CCCC[C@H]1CCc1ccccc1NC(=O)/C=C/c1ccccc1
inchi:
InChI=1S/C23H28N2O/c1-25-18-8-7-12-21(25)16-15-20-11-5-6-13-22(20)24-23(26)17-14-19-9-3-2-4-10-19/h2-6,9-11,13-14,17,21H,7-8,12,15-16,18H2,1H3,(H,24,26)/b17-14+/t21-/m0/s1


name: Methyl 5-hexyl-7-(S-methylsulphonimidoyl)-9-oxo-9H-xanthene-2-carboxylate
cas: 58762-16-6
dtxsid: DTXSID10974283
formula: C22H25NO5S
inchikey: RHCXNGOZHHVIAA-UHFFFAOYSA-N
norman_susdat_id: NS00053004
pubchem_cid: 3017122
smiles: O=C(OC)C1=CC=C2OC3=C(C=C(C=C3CCCCCC)S(=O)(=N)C)C(=O)C2=C1
inchi:
InChI=1/C22H25NO5S/c1-4-5-6-7-8-14-11-16(29(3,23)26)13-18-20(24)17-12-15(22(25)27-2)9-10-19(17)28-21(14)18/h9-13,23H,4-8H2,1-3H3


name: 2,4,6-triiodo-3-(methylacetamido)-5-[(methylamino)carbonyl]benzoyl chloride
cas: 58763-17-0
dtxsid: DTXSID70974284
formula: C12H10ClI3N2O3
inchikey: NUCYJLJWJXZQSN-UHFFFAOYSA-N
norman_susdat_id: NS00052910
pubchem_cid: 21116979
smiles: O=C(Cl)C1=C(I)C(NC(=O)CC)=C(I)C(C(=O)NC)=C1I
inchi:
InChI=1/C12H10ClI3N2O3/c1-3-4(19)18-10-8(15)5(11(13)20)7(14)6(9(10)16)12(21)17-2/h3H2,1-2H3,(H,17,21)(H,18,19)


name: m-[[4-[[4-[bis(2-hydroxyethyl)amino]phenyl]azo]-1-naphthyl]azo]benzenesulphonic acid
cas: 58764-34-4
formula: C26H25N5O5S
inchikey: FKHADEPATJCRGQ-UHFFFAOYSA-N
norman_susdat_id: NS00053008
pubchem_cid: 100839
smiles: O=S(=O)(O)C=1C=CC=C(N=NC2=CC=C(N=NC3=CC=C(C=C3)N(CCO)CCO)C=4C=CC=CC24)C1
inchi:
InChI=1/C26H25N5O5S/c32-16-14-31(15-17-33)21-10-8-19(9-11-21)27-29-25-12-13-26(24-7-2-1-6-23(24)25)30-28-20-4-3-5-22(18-20)37(34,35)36/h1-13,18,32-33H,14-17H2,(H,34,35,36)


name: Bis(2-hydroxyethyl)methyloctylammonium toluene-p-sulphonate
cas: 58767-50-3
formula: C13H30NO2.C7H7O3S
inchikey: YLHNNWUZOGHCSP-UHFFFAOYSA-M
norman_susdat_id: NS00086876
smiles: CCCCCCCC[N+](C)(CCO)CCO.Cc1ccc(cc1)S(=O)(=O)[O-]
inchi:
InChI=1/C13H30NO2.C7H8O3S/c1-3-4-5-6-7-8-9-14(2,10-12-15)11-13-16;1-6-2-4-7(5-3-6)11(8,9)10/h15-16H,3-13H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


cas: 58769-04-3
formula: C40H59FO6
inchikey: JCTITVWENFVLBV-UHFFFAOYSA-N
norman_susdat_id: NS00053026
pubchem_cid: NA
smiles: O=C1C=CC2(C(=C1)CCC3C4CC(C)C(O)(C(=O)COC(=O)CCCCCCCC=CCC=CCCCCC)C4(C)CC(O)C32F)C
name:
9-fluoro-11ß,17-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-[(9E,12E)-octadeca-9,12-dienoate]

inchi:
InChI=1/C40H59FO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-36(45)47-28-35(44)40(46)29(2)25-33-32-22-21-30-26-31(42)23-24-37(30,3)39(32,41)34(43)27-38(33,40)4/h9-10,12-13,23-24,26,29,32-34,43,46H,5-8,11,14-22,25,27-28H2,1-4H3


name: Kadethrin
cas: 58769-20-3
chemspiderid: 520453
dtxsid: DTXSID5042083
formula: C23H24O4S1
inchikey: UGWALRUNBSBTGI-WFHKGYGGSA-N
norman_susdat_id: NS00015284
pubchem_cid: 6434575
smiles: CC1(C(C1C(=O)OCC2=COC(=C2)CC3=CC=CC=C3)C=C4CCSC4=O)C
inchi:
InChI=1S/C23H24O4S/c1-23(2)19(12-17-8-9-28-22(17)25)20(23)21(24)27-14-16-11-18(26-13-16)10-15-6-4-3-5-7-15/h3-7,11-13,19-20H,8-10,14H2,1-2H3/b17-12+/t19-,20?/m1/s1


name: Bis(3,5,5-trimethylhexyl) quinoxaline-2,3-dicarboxylate
cas: 58772-18-2
dtxsid: DTXSID10974288
formula: C28H42N2O4
inchikey: XDCPLQCYKINKST-UHFFFAOYSA-N
norman_susdat_id: NS00052911
pubchem_cid: 100843
smiles: O=C(OCCC(C)CC(C)(C)C)C1=NC=2C=CC=CC2N=C1C(=O)OCCC(C)CC(C)(C)C
inchi:
InChI=1/C28H42N2O4/c1-19(17-27(3,4)5)13-15-33-25(31)23-24(30-22-12-10-9-11-21(22)29-23)26(32)34-16-14-20(2)18-28(6,7)8/h9-12,19-20H,13-18H2,1-8H3


name: 2,3-bis[(3,5,5-trimethylhexyl)oxy]quinoxaline
cas: 58772-22-8
dtxsid: DTXSID70974289
formula: C26H42N2O2
inchikey: ODACTJFERGTLMN-UHFFFAOYSA-N
norman_susdat_id: NS00052524
pubchem_cid: 100844
smiles: N=1C(OCCC(C)CC(C)(C)C)=C(N=C2C=CC=CC12)OCCC(C)CC(C)(C)C
inchi:
InChI=1/C26H42N2O2/c1-19(17-25(3,4)5)13-15-29-23-24(28-22-12-10-9-11-21(22)27-23)30-16-14-20(2)18-26(6,7)8/h9-12,19-20H,13-18H2,1-8H3


cas: 58779-19-4
dtxsid: DTXSID80886288
formula: C20H22N4O12S3
inchikey: FFCPQIVLISKGAB-UHFFFAOYSA-N
norman_susdat_id: NS00053880
pubchem_cid: 21117552
smiles: O=C1N(N=C(C)C1N=NC=2C=C(C(OC)=CC2OC)S(=O)(=O)O)C3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)O
name:
5-[[4,5-dihydro-3-methyl-5-oxo-1-[4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]-1H-pyrazol-4-yl]azo]-2,4-dimethoxybenzenesulphonic acid

inchi:
InChI=1/C20H22N4O12S3/c1-12-19(22-21-15-10-18(38(28,29)30)17(35-3)11-16(15)34-2)20(25)24(23-12)13-4-6-14(7-5-13)37(26,27)9-8-36-39(31,32)33/h4-7,10-11,19H,8-9H2,1-3H3,(H,28,29,30)(H,31,32,33)


name: N-butyl-N-[2-(diethylamino)ethyl]naphthalene-1-carboxamide monohydrochloride
cas: 58779-43-4
formula: C21H30N2O.ClH
inchikey: KUTAVPAGPDWFKS-UHFFFAOYSA-N
norman_susdat_id: NS00086878
smiles: Cl.CCCCN(CCN(CC)CC)C(=O)c1cccc2ccccc12
inchi:
InChI=1/C21H30N2O.ClH/c1-4-7-15-23(17-16-22(5-2)6-3)21(24)20-14-10-12-18-11-8-9-13-19(18)20;/h8-14H,4-7,15-17H2,1-3H3;1H


name: Bis(8-methyl-8-azabicyclo[3.2.1]oct-3-yl) 1,2,3,4-tetrahydro-1-phenylnaphthalene-1,4-dicarboxylate
cas: 5878-33-1
dtxsid: DTXSID30974306
formula: C34H42N2O4
inchikey: GERIGMSHTUAXSI-UHFFFAOYSA-N
norman_susdat_id: NS00046772
pubchem_cid: 265028
smiles: O=C(OC1CC2N(C)C(CC2)C1)C3C=4C=CC=CC4C(C(=O)OC5CC6N(C)C(CC6)C5)(C=7C=CC=CC7)CC3
inchi:
InChI=1/C34H42N2O4/c1-35-23-12-13-24(35)19-27(18-23)39-32(37)30-16-17-34(22-8-4-3-5-9-22,31-11-7-6-10-29(30)31)33(38)40-28-20-25-14-15-26(21-28)36(25)2/h3-11,23-28,30H,12-21H2,1-2H3


name: 6-methylergoline-8ß-carboxylic acid
cas: 5878-43-3
dtxsid: DTXSID90974307
formula: C16H18N2O2
inchikey: ORBSYPFBZQJNJE-MPKXVKKWSA-N
norman_susdat_id: NS00047357
pubchem_cid: 12940526
smiles: O=C(O)C1CN(C)C2CC3=CNC4=CC=CC(=C43)C2C1
inchi:
InChI=1/C16H18N2O2/c1-18-8-10(16(19)20)5-12-11-3-2-4-13-15(11)9(7-17-13)6-14(12)18/h2-4,7,10,12,14,17H,5-6,8H2,1H3,(H,19,20)


name: 1-((3,4-Bis(benzoyloxy)phenyl)methyl)isoquinoline-6,7-diyl dibenzoate
cas: 5878-49-9
chemspiderid: 4956066
dtxsid: DTXSID70207509
formula: C44H29N1O8
inchikey: MUCMXFLOPWXQCU-UHFFFAOYSA-N
norman_susdat_id: NS00034016
pubchem_cid: 6453706
smiles: O=C(Oc1cc2ccnc(Cc3cc(OC(=O)c4ccccc4)c(OC(=O)c4ccccc4)cc3)c2cc1OC(=O)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C44H29NO8/c46-41(30-13-5-1-6-14-30)50-37-22-21-29(26-38(37)51-42(47)31-15-7-2-8-16-31)25-36-35-28-40(53-44(49)33-19-11-4-12-20-33)39(27-34(35)23-24-45-36)52-43(48)32-17-9-3-10-18-32/h1-24,26-28H,25H2


name: Decanoic acid, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 58793-73-0
formula: C10H20O2.C6H15NO3
inchikey: GKHDHUDIDOQOFX-UHFFFAOYSA-N
norman_susdat_id: NS00086240
smiles: CCCCCCCCCC(=O)O.OCCN(CCO)CCO
inchi:
InChI=1/C10H20O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10(11)12;8-4-1-7(2-5-9)3-6-10/h2-9H2,1H3,(H,11,12);8-10H,1-6H2


name: Bis[3-(formylamino)propyl](4-methoxy-3-nitrobenzyl)methylammonium chloride
cas: 58795-54-3
dtxsid: DTXSID40886289
formula: C17H28N4O5
inchikey: HIFAZIVOMHDTBX-UHFFFAOYSA-N
norman_susdat_id: NS00053027
pubchem_cid: 100848
smiles: [Cl-].O=CNCCC[N+](C)(CC1=CC=C(OC)C(=C1)[N+](=O)[O-])CCCNC=O
inchi:
InChI=1/C17H26N4O5.ClH/c1-21(9-3-7-18-13-22,10-4-8-19-14-23)12-15-5-6-17(26-2)16(11-15)20(24)25;/h5-6,11,13-14H,3-4,7-10,12H2,1-2H3,(H-,18,19,22,23);1H


cas: 58798-47-3
chemspiderid: 7851778
dtxsid: DTXSID50886290
formula: C20H24N3O1
inchikey: RHSRDJUNWGTRNQ-UHFFFAOYSA-O
norman_susdat_id: NS00007173
pubchem_cid: 9577341
smiles: COc1ccc(CNN=CC2=[N+](C)c3ccccc3C2(C)C)cc1
name:
3H-Indolium, 2-[[2-(4-methoxyphenyl)-2-methylhydrazinylidene]methyl]-1,3,3-trimethyl-, acetate (1:1)

inchi:
InChI=1S/C20H23N3O/c1-20(2)17-7-5-6-8-18(17)23(3)19(20)14-22-21-13-15-9-11-16(24-4)12-10-15/h5-12,14H,13H2,1-4H3/p+1


name: Trolnitrate phosphate
cas: 588-42-1
chebiid: CHEBI:32268
formula: C6H12N4O9.2H3O4P
inchikey: UOCLRXFKRLRMKV-UHFFFAOYSA-N
norman_susdat_id: NS00080194
smiles: OP(=O)(O)O.OP(=O)(O)O.[O-][N+](=O)OCCN(CCO[N+](=O)[O-])CCO[N+](=O)[O-]
inchi:
InChI=1/C6H12N4O9.2H3O4P/c11-8(12)17-4-1-7(2-5-18-9(13)14)3-6-19-10(15)16;2*1-5(2,3)4/h1-6H2;2*(H3,1,2,3,4)


name: Roquefortine A
cas: 58800-19-4
dtxsid: DTXSID10891840
formula: C18H22N2O2
inchikey: GJSSYQDXZLZOLR-QMHBMSAFSA-N
norman_susdat_id: NS00094912
pubchem_cid: 101286186
smiles: C[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)[C@H]2[C@@H]1OC(=O)C)C
inchi:
InChI=1S/C18H22N2O2/c1-10-9-20(3)15-7-12-8-19-14-6-4-5-13(16(12)14)17(15)18(10)22-11(2)21/h4-6,8,10,15,17-19H,7,9H2,1-3H3/t10-,15+,17+,18+/m0/s1


cas: 58801-34-6
dtxsid: DTXSID50974323
formula: C38H72N2O8
inchikey: CJAONIOAQZUHPN-UHFFFAOYSA-N
norman_susdat_id: NS00052913
pubchem_cid: 2511
smiles: O=C(OCC)CCCCCCCCCCCN(C(=O)COC(C)C(OCC(=O)N(C)CCCCCCCCCCCC(=O)OCC)C)C
name:
Diethyl [R-(R*,R*)]-13,17,18,22-tetramethyl-14,21-dioxo-16,19-dioxa-13,22-diazatetratriacontanedioate

inchi:
InChI=1/C38H72N2O8/c1-7-45-37(43)27-23-19-15-11-9-13-17-21-25-29-39(5)35(41)31-47-33(3)34(4)48-32-36(42)40(6)30-26-22-18-14-10-12-16-20-24-28-38(44)46-8-2/h33-34H,7-32H2,1-6H3


name: Toosendanin
cas: 58812-37-6
chemspiderid: 11451394
dtxsid: DTXSID00974333
formula: C30H38O11
inchikey: NAHTXVIXCMUDLF-UHFFFAOYSA-N
norman_susdat_id: NS00067872
pubchem_cid: 115060
inchi:
InChI=1S/C30H38O11/c1-13(31)39-20-10-19(34)29-12-38-25(36)26(20,3)17(29)9-18(33)28(5)23(29)22(35)24(40-14(2)32)27(4)16(15-6-7-37-11-15)8-21-30(27,28)41-21/h6-7,11,16-21,23-25,33-34,36H,8-10,12H2,1-5H3


name: Aculeacin A
cas: 58814-86-1
chebiid: CHEBI:2450
chemspiderid: 30791440
formula: C51H82N8O17
inchikey: FBCLKBXYZRAXNA-PDIPHZEPSA-N
norman_susdat_id: NS00011838
pubchem_cid: 53297328
inchi:
InChI=1S/C51H82N8O17/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-37(66)53-32-23-35(64)47(72)57-49(74)41-42(67)27(2)25-59(41)51(76)39(34(63)24-36(52)65)55-48(73)40(44(69)43(68)29-18-20-30(61)21-19-29)56-46(71)33-22-31(62)26-58(33)50(75)38(28(3)60)54-45(32)70/h18-21,27-28,31-35,38-44,47,60-64,67-69,72H,4-17,22-26H2,1-3H3,(H2,52,65)(H,53,66)(H,54,70)(H,55,73)(H,56,71)(H,57,74)/t27-,28+,31+,32-,33-,34+,35+,38-,39-,40-,41-,42-,43-,44-,47+/m0/s1

smiles:
CCCCCCCCCCCCCCCC(=O)N[C@H]1C[C@H]([C@H](NC(=O)[C@@H]2[C@H]([C@H](CN2C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@@H](NC1=O)[C@@H](C)O)O)[C@@H]([C@H](c4ccc(cc4)O)O)O)[C@@H](CC(=O)N)O)C)O)O)O


name: N-[N-[N-(N-L-tyrosylglycyl)glycyl]-L-phenylalanyl]-L-leucine
cas: 58822-25-6
chebiid: CHEBI:89656
dtxsid: DTXSID00905127
formula: C28H37N5O7
inchikey: URLZCHNOLZSCCA-VABKMULXSA-N
norman_susdat_id: NS00056490
pubchem_cid: 3903
smiles: O=C(O)C(NC(=O)C(NC(=O)CNC(=O)CNC(=O)C(N)CC1=CC=C(O)C=C1)CC=2C=CC=CC2)CC(C)C
inchi:
InChI=1/C28H37N5O7/c1-17(2)12-23(28(39)40)33-27(38)22(14-18-6-4-3-5-7-18)32-25(36)16-30-24(35)15-31-26(37)21(29)13-19-8-10-20(34)11-9-19/h3-11,17,21-23,34H,12-16,29H2,1-2H3,(H,30,35)(H,31,37)(H,32,36)(H,33,38)(H,39,40)


name: (22a,25R)-28-acetylspirosol-5-en-3ß-ol
cas: 58822-29-0
dtxsid: DTXSID30974341
formula: C29H45NO3
inchikey: JXAZKNVJWYDQJY-KYOMLBQKSA-N
norman_susdat_id: NS00055666
pubchem_cid: 100853
smiles: O=C(N1CC(C)CCC21OC3CC4C5CC=C6CC(O)CCC6(C)C5CCC4(C)C3C2C)C
inchi:
InChI=1/C29H45NO3/c1-17-8-13-29(30(16-17)19(3)31)18(2)26-25(33-29)15-24-22-7-6-20-14-21(32)9-11-27(20,4)23(22)10-12-28(24,26)5/h6,17-18,21-26,32H,7-16H2,1-5H3


cas: 58823-09-9
chemspiderid: 91124
dtxsid: DTXSID9028047
formula: C10H20Cl4O6P2
inchi: InChI=1S/C10H20Cl4O6P2/c11-1-5-17-21(15,9-4-14)20-8-10-22(16,18-6-2-12)19-7-3-13/h1-10H2/t21-/m0/s1
inchikey: CJOFOMGFGJRPFD-UHFFFAOYNA-N
norman_susdat_id: NS00034023
pubchem_cid: NA
smiles: ClCCOP(=O)(CCCl)OCCP(=O)(OCCCl)OCCCl
name:
Phosphonic acid, [2-[[(2-chloroethoxy)(2-chloroethyl)phosphinyl]oxy]ethyl]-, bis(2-chloroethyl) ester


name: Sodium N-[imino(phosphonoamino)methyl]-N-methylaminoacetate
cas: 58823-91-9
formula: C4H10N3O5P.Na
inchikey: ZKXLDDHHUCNNBQ-UHFFFAOYSA-M
norman_susdat_id: NS00087994
smiles: CN(CC(=O)O)C(=N)NP(=O)(O)O[Na]
inchi:
InChI=1/C4H10N3O5P.Na/c1-7(2-3(8)9)4(5)6-13(10,11)12;/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12);/q;+1/p-1/rC4H9N3NaO5P/c1-7(2-3(9)10)4(5)6-14(11,12)13-8/h2H2,1H3,(H,9,10)(H3,5,6,11,12)


name: D-Glucose, 6-(dihydrogen phosphate), barium salt
cas: 58823-95-3
formula: C6H13O9P.xBa
inchikey: FFNFQIZRCUHVAP-UHFFFAOYSA-L
norman_susdat_id: NS00087725
smiles: OC1OC(COP2(=O)O[Ba]O2)C(O)C(O)C1O
inchi:
InChI=1/C6H13O9P.Ba/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8;/h2-10H,1H2,(H2,11,12,13);/q;+2/p-2/rC6H11BaO9P/c8-3-2(1-13-17(12)15-7-16-17)14-6(11)5(10)4(3)9/h2-6,8-11H,1H2


name: 1-(3,4-dimethoxybenzyl)-3,4-dihydro-6,7-dimethoxyisoquinolinium chloride
cas: 5884-22-0
formula: C20H23NO4.ClH
inchikey: LRUSBWIBSILYNE-UHFFFAOYSA-N
norman_susdat_id: NS00082213
smiles: [Cl-].COc1ccc(CC2=[NH+]CCc3cc(OC)c(OC)cc23)cc1OC
inchi:
InChI=1/C20H23NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-6,10-12H,7-9H2,1-4H3;1H


name: 1-methoxy-1-oxohexadecane-2-sulphonic acid
cas: 58849-75-5
formula: C17H34O5S
inchikey: CBFFVBXZKOWOMT-UHFFFAOYSA-N
norman_susdat_id: NS00087996
smiles: CCCCCCCCCCCCCCC(C(=O)OC)S(=O)(=O)O
inchi:
InChI=1/C17H34O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17(18)22-2)23(19,20)21/h16H,3-15H2,1-2H3,(H,19,20,21)


cas: 58872-62-1
chemspiderid: 21161830
dtxsid: DTXSID1069291
formula: C40H23Cl3N8O8
inchikey: OPOWLSIIXBYJDA-UHFFFAOYSA-N
norman_susdat_id: NS00034029
pubchem_cid: NA
name:
2-Naphthalenecarboxamide, N,N'-(2-chloro-1,4-phenylene)bis[4-[(2-chloro-4-nitrophenyl)azo]-3-hydroxy-

inchi:
InChI=1S/C40H23Cl3N8O8/c41-29-17-22(44-39(54)27-15-20-5-1-3-7-25(20)35(37(27)52)48-46-33-13-10-23(50(56)57)18-30(33)42)9-12-32(29)45-40(55)28-16-21-6-2-4-8-26(21)36(38(28)53)49-47-34-14-11-24(51(58)59)19-31(34)43/h1-19,46-47H,(H,44,54)(H,45,55)/b48-35+,49-36+

smiles:
[O-][N+](=O)c1cc(Cl)c(NN=C2C(=O)C(=Cc3ccccc23)C(=O)Nc2cc(Cl)c(NC(=O)C3=Cc4ccccc4C(=NNc4c(Cl)cc(cc4)[N+](=O)[O-])C3=O)cc2)cc1


cas: 58873-16-8
dtxsid: DTXSID20974370
formula: C26H42N2O10
inchikey: PDJVJIRYSAGEFO-UHFFFAOYSA-N
norman_susdat_id: NS00055567
pubchem_cid: 21117559
smiles: O=C(OCC)C(C(=O)OCC)C(=O)NCC1(C)CC(NC(=O)C(C(=O)OCC)C(=O)OCC)CC(C)(C)C1
name:
Diethyl [[[3-[[[3-ethoxy-2-(ethoxycarbonyl)-1,3-dioxopropyl]amino]methyl]-3,5,5-trimethylcyclohexyl]amino]carbonyl]malonate

inchi:
InChI=1/C26H42N2O10/c1-8-35-21(31)17(22(32)36-9-2)19(29)27-15-26(7)13-16(12-25(5,6)14-26)28-20(30)18(23(33)37-10-3)24(34)38-11-4/h16-18H,8-15H2,1-7H3,(H,27,29)(H,28,30)


name: Diponium
cas: 58875-33-5
chemspiderid: 168396
dtxsid: DTXSID00207577
formula: C20H38NO2
inchikey: DUMOVOQTXRSPCT-UHFFFAOYSA-N
norman_susdat_id: NS00100935
pubchem_cid: 194071
smiles: CC[N+](C)(C)CCOC(=O)C(C1CCCCC1)C2CCCCC2
inchi:
InChI=1S/C20H38NO2/c1-4-21(2,3)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h17-19H,4-16H2,1-3H3/q+1


name: 2-(2-hydroxyethyl)-1-methylpyridinium methyl sulphate
cas: 58878-36-7
dtxsid: DTXSID40974372
formula: C8H12NO
inchikey: ZYVMAKJHAZNZGP-UHFFFAOYSA-M
norman_susdat_id: NS00055667
pubchem_cid: 6453718
smiles: O=S(=O)([O-])OC.OCCC=1C=CC=C[N+]1C
inchi:
InChI=1/C8H12NO.CH4O4S/c1-9-6-3-2-4-8(9)5-7-10;1-5-6(2,3)4/h2-4,6,10H,5,7H2,1H3;1H3,(H,2,3,4)/q+1;/p-1


name: Isobornyl acrylate
cas: 5888-33-5
chemspiderid: 83966
dtxsid: DTXSID5052250
formula: C13H20O2
inchikey: PSGCQDPCAWOCSH-BOURZNODSA-N
norman_susdat_id: NS00011460
pubchem_cid: 93013
smiles: CC1(C)[C@H]2CC[C@]1(C)C(C2)OC(=O)C=C
inchi:
InChI=1S/C13H20O2/c1-5-11(14)15-10-8-9-6-7-13(10,4)12(9,2)3/h5,9-10H,1,6-8H2,2-4H3/t9-,10?,13+/m0/s1


name: 1H-Azepine-1-carboxamide, N,N'-1,6-hexanediylbis[hexahydro-2-oxo-
cas: 5888-87-9
chemspiderid: 72248
dtxsid: DTXSID9064051
formula: C20H34N4O4
inchikey: YOVRNJUIHVNXCB-UHFFFAOYSA-N
norman_susdat_id: NS00004659
pubchem_cid: NA
smiles: O=C(NCCCCCCNC(=O)N1CCCCCC1=O)N1CCCCCC1=O
inchi:
InChI=1S/C20H34N4O4/c25-17-11-5-3-9-15-23(17)19(27)21-13-7-1-2-8-14-22-20(28)24-16-10-4-6-12-18(24)26/h1-16H2,(H,21,27)(H,22,28)


name: Trichostatin A
cas: 58880-19-6
chebiid: CHEBI:46024
chemspiderid: 392575
dtxsid: DTXSID6037063
formula: C17H22N2O3
inchikey: RTKIYFITIVXBLE-QEQCGCAPSA-N
norman_susdat_id: NS00034030
pubchem_cid: 444732
smiles: C[C@H](/C=C(C)/C=C/C(=O)NO)C(=O)c1ccc(cc1)N(C)C
inchi:
InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1


name: ETHYL DIHYDROXYPRO- PYL PABA
cas: 58882-17-0
chemspiderid: 39097
formula: C15H23N1O4
inchikey: CBZHHQOZZQEZNJ-UHFFFAOYSA-N
norman_susdat_id: NS00013659
pubchem_cid: 42865
smiles: CCOC(=O)c1ccc(cc1)N(CC(C)O)CC(C)O
inchi:
InChI=1S/C15H23NO4/c1-4-20-15(19)13-5-7-14(8-6-13)16(9-11(2)17)10-12(3)18/h5-8,11-12,17-18H,4,9-10H2,1-3H3


name: ST50987637
cas: 58890-25-8
chemspiderid: 313190
dtxsid: DTXSID90326423
formula: C27H36N4O2
inchikey: SGXPOLBQSKXTKY-UHFFFAOYSA-N
norman_susdat_id: NS00005036
pubchem_cid: 352756
smiles: O=C(NC1CCCCC1)Nc1ccc(Cc2ccc(NC(=O)NC3CCCCC3)cc2)cc1
inchi:
InChI=1S/C27H36N4O2/c32-26(28-22-7-3-1-4-8-22)30-24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)31-27(33)29-23-9-5-2-6-10-23/h11-18,22-23H,1-10,19H2,(H2,28,30,32)(H2,29,31,33)


name: 7-(acetylamino)-3-hydroxy-4-[(2-hydroxy-5-methyl-3-nitrophenyl)azo]naphthalene-1-sulphonic acid
cas: 58890-64-5
formula: C19H17N4O8S
inchikey: RHDQOKKBHSAKIH-UHFFFAOYSA-N
norman_susdat_id: NS00056183
pubchem_cid: 135570900
smiles: O=C(NC1=CC=C2C(N=NC=3C=C(C=C(C3O)[N+](=O)[O-])C)=C(O)C=C(C2=C1)S(=O)(=O)O)C
inchi:
InChI=1/C19H16N4O8S/c1-9-5-14(19(26)15(6-9)23(27)28)21-22-18-12-4-3-11(20-10(2)24)7-13(12)17(8-16(18)25)32(29,30)31/h3-8,25-26H,1-2H3,(H,20,24)(H,29,30,31)


cas: 58890-78-1
formula: C31H66N2O3
norman_susdat_id: NS00101776
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with 2,2'-[[3-[docosyl(2-hydroxyethyl)amino]propyl]imino]bis[ethanol] (3:1)


name: Potassium 4-[[4-[benzylamino]phenyl]azo]benzenesulphonate
cas: 589-02-6
formula: C19H17N3O3S
inchikey: HHGSSTKRFXJDCV-UHFFFAOYSA-M
norman_susdat_id: NS00042987
pubchem_cid: 3013912
smiles: [K+].O=S(=O)([O-])C1=CC=C(N=NC2=CC=C(C=C2)NCC=3C=CC=CC3)C=C1
inchi:
InChI=1/C19H17N3O3S.K/c23-26(24,25)19-12-10-18(11-13-19)22-21-17-8-6-16(7-9-17)20-14-15-4-2-1-3-5-15;/h1-13,20H,14H2,(H,23,24,25);/q;+1/p-1


name: Maprotiline methanesulfonate
cas: 58902-67-3
dtxsid: DTXSID30207646
formula: C21H27NO3S
inchikey: IUOFVKUAHKGVIO-UHFFFAOYSA-N
norman_susdat_id: NS00076253
smiles: CS(O)(=O)=O.[H]C12CCC(CCCNC)(C3=CC=CC=C13)C1=CC=CC=C21
inchi:
InChI=1S/C20H23N.CH4O3S/c1-21-14-6-12-20-13-11-15(16-7-2-4-9-18(16)20)17-8-3-5-10-19(17)20;1-5(2,3)4/h2-5,7-10,15,21H,6,11-14H2,1H3;1H3,(H,2,3,4)


cas: 58902-76-4
dtxsid: DTXSID30974407
formula: C10H16N5O14P3
inchikey: HEYSFDAMRDTCJM-UUOKFMHZSA-N
norman_susdat_id: NS00071346
smiles: Nc1nc(O)c2ncn([C@@H]3O[C@H](CO[P@](=O)(O)OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]3O)c2n1
name:
9-{5-O-[Hydroxy(phosphonooxy)phosphoryl]-3-O-phosphonopentofuranosyl}-2-imino-3,9-dihydro-2H-purin-6-ol

inchi:
InChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6(28-30(18,19)20)3(27-9)1-26-32(24,25)29-31(21,22)23/h2-3,5-6,9,16H,1H2,(H,24,25)(H2,18,19,20)(H2,21,22,23)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1


cas: 58909-56-1
chemspiderid: 91143
formula: C12H13N5O5S2
inchikey: YTUNICCSPPTMJY-UYBGKAFVSA-N
norman_susdat_id: NS00002723
pubchem_cid: 100879
smiles: Cn1[nH]c(=O)c(=O)nc1SCC1=C(N2C(SC1)[C@H](N)C2=O)C(O)=O
name:
(6R-trans)-7-amino-8-oxo-3-[[(1,2,5,6-tetrahydro-2-methyl-5,6-dioxo-1,2,4-triazin-3-yl)thio]methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

inchi:
InChI=1S/C12H13N5O5S2/c1-16-12(14-7(18)8(19)15-16)24-3-4-2-23-10-5(13)9(20)17(10)6(4)11(21)22/h5,10H,2-3,13H2,1H3,(H,15,19)(H,21,22)/t5-,10?/m1/s1


name: Decarbamylsaxitoxin
cas: 58911-04-9
chemspiderid: 28574223
dtxsid: DTXSID70207660
formula: C9H16N6O3
inchikey: VRRIYZJUSNMZMP-UHFFFAOYSA-N
norman_susdat_id: NS00003800
pubchem_cid: 14917396
smiles: NC1=NC23C(N1)C(CO)N=C(N)N2CCC3(O)O
inchi:
InChI=1S/C9H16N6O3/c10-6-13-5-4(3-16)12-7(11)15-2-1-8(17,18)9(5,15)14-6/h4-5,16-18H,1-3H2,(H2,11,12)(H3,10,13,14)


name: 3-(dibutylamino)propyl p-aminobenzoate monohydrochloride
cas: 5892-15-9
formula: C18H30N2O2.ClH
inchikey: GUAXDJUZQASKHH-UHFFFAOYSA-N
norman_susdat_id: NS00081825
smiles: Cl.CCCCN(CCCC)CCCOC(=O)c1ccc(N)cc1
inchi:
InChI=1/C18H30N2O2.ClH/c1-3-5-12-20(13-6-4-2)14-7-15-22-18(21)16-8-10-17(19)11-9-16;/h8-11H,3-7,12-15,19H2,1-2H3;1H


name: Camylofin
cas: 5892-41-1
chebiid: CHEBI:95216
chemspiderid: 5691
dtxsid: DTXSID7046415
formula: C19H32N2O2
inchikey: RYOOHIUJEJZCFT-UHFFFAOYSA-N
norman_susdat_id: NS00004488
pubchem_cid: 5902
smiles: CCN(CC)CCNC(C(=O)OCCC(C)C)c1ccccc1
inchi:
InChI=1S/C19H32N2O2/c1-5-21(6-2)14-13-20-18(17-10-8-7-9-11-17)19(22)23-15-12-16(3)4/h7-11,16,18,20H,5-6,12-15H2,1-4H3


name: Sodium hydrogen (3-acetamido-4-hydroxyphenyl)arsonate
cas: 5892-48-8
formula: C8H10AsNO5.Na
inchikey: UYQUMYMLNDDPIP-UHFFFAOYSA-L
norman_susdat_id: NS00082214
smiles: [Na+].CC(=O)Nc1cc(ccc1O)[As](=O)([O-])[O-]
inchi:
InChI=1/C8H10AsNO5.Na/c1-5(11)10-7-4-6(9(13,14)15)2-3-8(7)12;/h2-4,12H,1H3,(H,10,11)(H2,13,14,15);/q;+1/p-2


name: 4-(Methyl((perfluorooctyl)sulfonyl)amino)butyl 2-propenoate
cas: 58920-31-3
chemspiderid: 91148
dtxsid: DTXSID30880493
formula: C16H14F17N1O4S1
inchikey: XEVYGIAXCSAAOA-UHFFFAOYSA-N
norman_susdat_id: NS00011341
pubchem_cid: 100884
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C)CCCOC(=O)C=C
inchi:
InChI=1S/C16H14F17NO4S/c1-3-8(35)38-7-5-4-6-34(2)39(36,37)16(32,33)14(27,28)12(23,24)10(19,20)9(17,18)11(21,22)13(25,26)15(29,30)31/h3H,1,4-7H2,2H3


name: (Z)-octadec-9-enylammonium dihydrogen phosphate
cas: 58920-69-7
formula: C18H37N.H3O4P
inchikey: MEPPGZCXGFBFNQ-KVVVOXFISA-L
norman_susdat_id: NS00088222
smiles: CCCCCCCC\C=C/CCCCCCCC[NH3+].[O-]P(=O)([O-])[O-]
inchi:
InChI=1/C18H37N.H3O4P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;1-5(2,3)4/h9-10H,2-8,11-19H2,1H3;(H3,1,2,3,4)/p-2


name: 2'-[3-(tert-butylamino)-2-hydroxypropoxy]-5'-fluorobutyrophenone
cas: 58930-32-8
chebiid: CHEBI:135327
formula: C17H26FNO3
inchikey: NMBNQRJDEPOXCP-UHFFFAOYSA-N
norman_susdat_id: NS00056989
pubchem_cid: 68838
smiles: O=C(C1=CC(F)=CC=C1OCC(O)CNC(C)(C)C)CCC
inchi:
InChI=1/C17H26FNO3/c1-5-6-15(21)14-9-12(18)7-8-16(14)22-11-13(20)10-19-17(2,3)4/h7-9,13,19-20H,5-6,10-11H2,1-4H3


name: [1,1'-Biphenyl]-4-carbonitrile, 4'-(nonyloxy)-
cas: 58932-13-1
chemspiderid: 91150
dtxsid: DTXSID6069294
formula: C22H27N1O1
inchikey: NJQLLUIPSJLJHY-UHFFFAOYSA-N
norman_susdat_id: NS00034042
pubchem_cid: 100887
smiles: CCCCCCCCCOc1ccc(cc1)c1ccc(cc1)C#N
inchi:
InChI=1S/C22H27NO/c1-2-3-4-5-6-7-8-17-24-22-15-13-21(14-16-22)20-11-9-19(18-23)10-12-20/h9-16H,2-8,17H2,1H3


name: N-(4-chlorophenyl)-N-(1-isopropyl-4-piperidyl)phenylacetamide monohydrochloride
cas: 58934-46-6
formula: C22H27ClN2O.ClH
inchikey: FSFSWNBDCJVFGI-UHFFFAOYSA-N
norman_susdat_id: NS00087980
smiles: Cl.CC(C)N1CCC(CC1)N(C(=O)Cc2ccccc2)c3ccc(Cl)cc3
inchi:
InChI=1/C22H27ClN2O.ClH/c1-17(2)24-14-12-21(13-15-24)25(20-10-8-19(23)9-11-20)22(26)16-18-6-4-3-5-7-18;/h3-11,17,21H,12-16H2,1-2H3;1H


name: 2,9-Bis(3-methoxypropyl)anthra(2,1,9-def:6,5,10-d'e'f')diisoquinoline-1,3,8,10(2H,9H)-tetrone
cas: 58935-22-1
chemspiderid: 91151
dtxsid: DTXSID80207676
formula: C32H26N2O6
inchikey: YCBSHFWAUYDPQS-UHFFFAOYSA-N
norman_susdat_id: NS00034044
pubchem_cid: 100888
smiles: COCCCn1c(=O)c2ccc3c4ccc5c(=O)n(CCCOC)c(=O)c6ccc(c7ccc(c1=O)c2c37)c4c56
inchi:
InChI=1S/C32H26N2O6/c1-39-15-3-13-33-29(35)21-9-5-17-19-7-11-23-28-24(32(38)34(31(23)37)14-4-16-40-2)12-8-20(26(19)28)18-6-10-22(30(33)36)27(21)25(17)18/h5-12H,3-4,13-16H2,1-2H3


name: N-(2-ethylhexyl)-1-(phenylazo)naphthalen-2-amine
cas: 58935-87-8
formula: C24H29N3
inchikey: MQMJIQSDNNCBRS-UHFFFAOYSA-N
norman_susdat_id: NS00056990
pubchem_cid: 100889
smiles: N(=NC1=C(C=CC=2C=CC=CC21)NCC(CC)CCCC)C=3C=CC=CC3
inchi:
InChI=1/C24H29N3/c1-3-5-11-19(4-2)18-25-23-17-16-20-12-9-10-15-22(20)24(23)27-26-21-13-7-6-8-14-21/h6-10,12-17,19,25H,3-5,11,18H2,1-2H3


name: 1-Amino-4,4,5,5,6,6,7,7,8,9,9,9-dodecafluoro-8-(trifluoromethyl)nonan-2-ol
cas: 58935-89-0
dtxsid: DTXSID00896349
formula: C10H8F15NO
inchikey: JPAVGZWMFGAFCC-UHFFFAOYSA-N
norman_susdat_id: NS00109050
smiles: NCC(O)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1/C10H8F15NO/c11-4(12,1-3(27)2-26)6(14,15)8(18,19)7(16,17)5(13,9(20,21)22)10(23,24)25/h3,27H,1-2,26H2


name: Titanium tetrakis[(Z)-octadec-9-enolate]
cas: 5894-67-7
formula: C18H36O
inchikey: ZQQKUHRKNFUGCJ-HVBBXQNNSA-N
norman_susdat_id: NS00046842
pubchem_cid: 8927
inchi:
InChI=1/4C18H35O.2Ti/c4*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19;;/h4*9-10H,2-8,11-18H2,1H3;;/q4*-1;2*+2

smiles:
[Ti+2].[Ti+2].[O-]CCCCCCCCC=CCCCCCCCC.[O-]CCCCCCCCC=CCCCCCCCC.[O-]CCCCCCCCC=CCCCCCCCC.[O-]CCCCCCCCC=CCCCCCCCC


name: Hexakis(1H,1H,3H-tetrafluoropropoxy)phosphazene
cas: 58943-98-9
chemspiderid: 2055449
dtxsid: DTXSID90880494
formula: C18H18F24N3O6P3
inchikey: WAVNXLRSYAMQNY-UHFFFAOYSA-N
norman_susdat_id: NS00019146
pubchem_cid: 2775076
inchi:
InChI=1S/C18H18F24N3O6P3/c19-7(20)13(31,32)1-46-52(47-2-14(33,34)8(21)22)43-53(48-3-15(35,36)9(23)24,49-4-16(37,38)10(25)26)45-54(44-52,50-5-17(39,40)11(27)28)51-6-18(41,42)12(29)30/h7-12H,1-6H2

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


name: Sinefungin
cas: 58944-73-3
chebiid: CHEBI:45453
chemspiderid: 58931
dtxsid: DTXSID10207689
formula: C15H23N7O5
inchikey: LMXOHSDXUQEUSF-YECHIGJVSA-N
norman_susdat_id: NS00018031
pubchem_cid: 65482
smiles: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)CC(CCC(C(=O)O)N)N)O)O
inchi:
InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1


name: 3,3'-oxybis[8,9-dibromo-2,4-dioxa-3-phosphaspiro[5.5]undecane] 3,3'-disulphide
cas: 58948-23-5
dtxsid: DTXSID50974444
formula: C16H24Br4O5P2S2
inchikey: UESTXVRIKFUUHA-UHFFFAOYSA-N
norman_susdat_id: NS00055640
pubchem_cid: 100896
smiles: S=P1(OCC2(CO1)CCC(Br)C(Br)C2)OP3(=S)OCC4(CO3)CCC(Br)C(Br)C4
inchi:
InChI=1/C16H24Br4O5P2S2/c17-11-1-3-15(5-13(11)19)7-21-26(28,22-8-15)25-27(29)23-9-16(10-24-27)4-2-12(18)14(20)6-16/h11-14H,1-10H2


name: 2,2'-oxybis[5,5-dimethyl-4-propyl-1,3,2-dioxaphosphorinane] 2,2'-disulphide
cas: 58948-24-6
dtxsid: DTXSID10974445
formula: C16H32O5P2S2
inchikey: BLSAXTJFILNVBX-UHFFFAOYSA-N
norman_susdat_id: NS00056201
pubchem_cid: 100897
smiles: S=P1(OCC(C)(C)C(O1)CCC)OP2(=S)OCC(C)(C)C(O2)CCC
inchi:
InChI=1/C16H32O5P2S2/c1-7-9-13-15(3,4)11-17-22(24,19-13)21-23(25)18-12-16(5,6)14(20-23)10-8-2/h13-14H,7-12H2,1-6H3


name: 2,2'-oxybis(4-isopropyl-5,5-dimethyl-1,3,2-dioxaphosphorinane) 2,2'-disulphide
cas: 58948-25-7
dtxsid: DTXSID70974446
formula: C16H32O5P2S2
inchikey: GMNOXZPPOAVBIB-UHFFFAOYSA-N
norman_susdat_id: NS00055641
pubchem_cid: 100898
smiles: S=P1(OCC(C)(C)C(O1)C(C)C)OP2(=S)OCC(C)(C)C(O2)C(C)C
inchi:
InChI=1/C16H32O5P2S2/c1-11(2)13-15(5,6)9-17-22(24,19-13)21-23(25)18-10-16(7,8)14(20-23)12(3)4/h11-14H,9-10H2,1-8H3


name: Diytterbium tricarbonate
cas: 5895-52-3
formula: CH2O3.2/3Yb
inchikey: OHOKAAAWPKYLKR-UHFFFAOYSA-H
norman_susdat_id: NS00081854
smiles: [Yb+2].[Yb+2].[O-]C(=O)[O-].[O-]C(=O)[O-].[O-]C(=O)[O-]
inchi:
InChI=1/3CH2O3.2Yb.4H/c3*2-1(3)4;;;;;;/h3*(H2,2,3,4);;;;;;/q;;;2*+2;;;;/p-6/r3CH2O3.2H2Yb/c3*2-1(3)4;;/h3*(H2,2,3,4);2*1H2/q;;;2*+2/p-6


cas: 58953-08-5
dtxsid: DTXSID90886158
formula: C19H16Cl2N2O5S
inchikey: WTELQDTYDULSAP-UHFFFAOYSA-M
norman_susdat_id: NS00055642
pubchem_cid: 173661
smiles: [Na+].O=C1OCC2=CC(=CC=C12)N3N=C(C=4C=C(Cl)C(Cl)=CC4C)C(C3)CS(=O)(=O)[O-]
name:
Sodium 3-(4,5-dichloro-o-tolyl)-1-(1,3-dihydro-1-oxo-5-isobenzofuranyl)-4,5-dihydro-1H-pyrazole-4-methanesulphonate

inchi:
InChI=1/C19H16Cl2N2O5S.Na/c1-10-4-16(20)17(21)6-15(10)18-12(9-29(25,26)27)7-23(22-18)13-2-3-14-11(5-13)8-28-19(14)24;/h2-6,12H,7-9H2,1H3,(H,25,26,27);/q;+1/p-1


name: trans-10,11-Dihydroxy-10,11-dihydrocarbazepine
cas: 58955-93-4
chebiid: CHEBI:83815
chemspiderid: 102714
dtxsid: DTXSID10891461
formula: C15H14N2O3
inchikey: PRGQOPPDPVELEG-KBPBESRZSA-N
norman_susdat_id: NS00008351
pubchem_cid: 114725
smiles: NC(=O)N1c2ccccc2[C@H](O)[C@@H](O)c2ccccc12
inchi:
InChI=1S/C15H14N2O3/c16-15(20)17-11-7-3-1-5-9(11)13(18)14(19)10-6-2-4-8-12(10)17/h1-8,13-14,18-19H,(H2,16,20)/t13-,14-/m0/s1


name: Idarubicin
cas: 58957-92-9
chebiid: CHEBI:94972
chemspiderid: 38847
dtxsid: DTXSID7023142
formula: C26H27N1O9
inchikey: XDXDZDZNSLXDNA-YMYDAGKFSA-N
norman_susdat_id: NS00004876
pubchem_cid: 42594
smiles: CC1OC(CC(N)C1O)O[C@H]1C[C@@](O)(Cc2c(O)c3C(=O)c4ccccc4C(=O)c3c(O)c12)C(C)=O
inchi:
InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10?,15?,16-,17?,21?,26-/m0/s1


name: ISOSTEARYL NEOPEN- TANOATE
cas: 58958-60-4
chemspiderid: 39118
formula: C23H46O2
inchikey: JSOVGYMVTPPEND-UHFFFAOYSA-N
norman_susdat_id: NS00013801
pubchem_cid: 42891
smiles: CC(C)CCCCCCCCCCCCCCCOC(=O)C(C)(C)C
inchi:
InChI=1S/C23H46O2/c1-21(2)19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-25-22(24)23(3,4)5/h21H,6-20H2,1-5H3


name: Sodium pentadecane-1-sulphonate
cas: 5896-54-8
formula: C15H32O3S.Na
inchikey: CUNOPLKZZNVRBR-UHFFFAOYSA-I
norman_susdat_id: NS00082628
inchi:
InChI=1/5C10H22O3S.5Na/c5*1-2-3-4-5-6-7-8-9-10-14(11,12)13;;;;;/h5*2-10H2,1H3,(H,11,12,13);;;;;/q;;;;;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-].CCCCCCCCCCS(=O)(=O)[O-]


name: Disodium 2-sulphonatopalmitate
cas: 5896-55-9
dtxsid: DTXSID20889495
formula: C16H32O5S
inchikey: FEUSCULRJXSZAE-UHFFFAOYSA-L
norman_susdat_id: NS00046120
pubchem_cid: 110731
smiles: [Na+].[Na+].O=C([O-])C(CCCCCCCCCCCCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C16H32O5S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16(17)18)22(19,20)21;;/h15H,2-14H2,1H3,(H,17,18)(H,19,20,21);;/q;2*+1/p-2


name: 6-Ketoprostaglandin F1α
cas: 58962-34-8
chebiid: CHEBI:28158
chemspiderid: 4444411
formula: C20H34O6
inchikey: KFGOFTHODYBSGM-ZUNNJUQCSA-N
norman_susdat_id: NS00016758
pubchem_cid: 5280888
smiles: CCCCCC(C=CC1C(CC(C1CC(=O)CCCCC(=O)O)O)O)O
inchi:
InChI=1S/C20H34O6/c1-2-3-4-7-14(21)10-11-16-17(19(24)13-18(16)23)12-15(22)8-5-6-9-20(25)26/h10-11,14,16-19,21,23-24H,2-9,12-13H2,1H3,(H,25,26)/b11-10+/t14-,16+,17+,18+,19-/m0/s1


name: 2-Anthracenesulfonic acid, 1-amino-4-[(4-butylphenyl)amino]-9,10-dihydro-9,10-dioxo-
cas: 58965-11-0
chemspiderid: 74890
dtxsid: DTXSID6069296
formula: C24H22N2O5S1
inchikey: RVKLSGHATZZOCO-UHFFFAOYSA-N
norman_susdat_id: NS00034051
pubchem_cid: 83007
smiles: CCCCc1ccc(Nc2cc(c(N)c3c2C(=O)c2c(cccc2)C3=O)S(=O)(=O)O)cc1
inchi:
InChI=1S/C24H22N2O5S/c1-2-3-6-14-9-11-15(12-10-14)26-18-13-19(32(29,30)31)22(25)21-20(18)23(27)16-7-4-5-8-17(16)24(21)28/h4-5,7-13,26H,2-3,6,25H2,1H3,(H,29,30,31)


name: Benzyldimethyloctylammonium bromide
cas: 58965-50-7
formula: C17H30N.Br
inchikey: JBJPHJWPSMUIJR-UHFFFAOYSA-M
norman_susdat_id: NS00088661
smiles: [Br-].CCCCCCCC[N+](C)(C)Cc1ccccc1
inchi:
InChI=1/C17H30N.BrH/c1-4-5-6-7-8-12-15-18(2,3)16-17-13-10-9-11-14-17;/h9-11,13-14H,4-8,12,15-16H2,1-3H3;1H/q+1;/p-1


name: Perbromo-1,4-diphenoxybenzene
cas: 58965-66-5
chemspiderid: 91170
dtxsid: DTXSID8047507
formula: C18Br14O2
inchikey: YMIUHIAWWDYGGU-UHFFFAOYSA-N
norman_susdat_id: NS00004679
pubchem_cid: 100907
smiles: Brc1c(Br)c(Br)c(Oc2c(Br)c(Br)c(Oc3c(Br)c(Br)c(Br)c(Br)c3Br)c(Br)c2Br)c(Br)c1Br
inchi:
InChI=1S/C18Br14O2/c19-1-3(21)7(25)15(8(26)4(1)22)33-17-11(29)13(31)18(14(32)12(17)30)34-16-9(27)5(23)2(20)6(24)10(16)28


name: Cyclobarbital calcium
cas: 5897-20-1
formula: C12H16N2O3.xCa
inchikey: WLFGRJGVFJFWQK-UHFFFAOYSA-N
norman_susdat_id: NS00082238
smiles: [Ca+2].CCC1(C(=O)NC(=O)NC1=O)C2=CCCCC2
inchi:
InChI=1/C12H16N2O3.Ca/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h6H,2-5,7H2,1H3,(H2,13,14,15,16,17);/q;+2


name: Eugeniin
cas: 58970-75-5
chebiid: CHEBI:4916
chemspiderid: 442679
formula: C41H30O26
inchikey: JCGHAEBIBSEQAD-UUUCSUBKSA-N
norman_susdat_id: NS00094562
pubchem_cid: 391036
smiles:
C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O


name: Ubenimex
cas: 58970-76-6
chemspiderid: 65145
dtxsid: DTXSID4048430
formula: C16H24N2O4
inchikey: VGGGPCQERPFHOB-RDBSUJKOSA-N
norman_susdat_id: NS00011810
pubchem_cid: 72172
smiles: CC(C)C[C@@H](C(=O)O)NC(=O)[C@H]([C@@H](Cc1ccccc1)N)O
inchi:
InChI=1S/C16H24N2O4/c1-10(2)8-13(16(21)22)18-15(20)14(19)12(17)9-11-6-4-3-5-7-11/h3-7,10,12-14,19H,8-9,17H2,1-2H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1


name: N,N'-hexane-1,6-diylbis[3-amino-2-butenamide]
cas: 58977-86-9
formula: C14H26N4O2
inchikey: HDPYRTBZPKBYOH-UHFFFAOYSA-N
norman_susdat_id: NS00056241
pubchem_cid: 100913
smiles: O=C(C=C(N)C)NCCCCCCNC(=O)C=C(N)C
inchi:
InChI=1/C14H26N4O2/c1-11(15)9-13(19)17-7-5-3-4-6-8-18-14(20)10-12(2)16/h9-10H,3-8,15-16H2,1-2H3,(H,17,19)(H,18,20)


name: 1,1'-(Methylenebis(2-ethyl-4,1-phenylene))bis-1H-pyrrole-2,5-dione
cas: 58978-10-2
chemspiderid: 91175
dtxsid: DTXSID80207717
formula: C25H22N2O4
inchikey: MZXBGQAYUVYKAL-UHFFFAOYSA-N
norman_susdat_id: NS00034053
pubchem_cid: 100914
smiles: CCc1c(ccc(Cc2cc(CC)c(cc2)N2C(=O)C=CC2=O)c1)N1C(=O)C=CC1=O
inchi:
InChI=1S/C25H22N2O4/c1-3-18-14-16(5-7-20(18)26-22(28)9-10-23(26)29)13-17-6-8-21(19(4-2)15-17)27-24(30)11-12-25(27)31/h5-12,14-15H,3-4,13H2,1-2H3


name: 1-(4-((4-(2,5-Dihydro-2,5-dioxo-1H-pyrrol-1-yl)-3-ethylphenyl)methyl)phenyl)-1H-pyrrole-2,5-dione
cas: 58978-11-3
chemspiderid: 84501
dtxsid: DTXSID40207718
formula: C23H18N2O4
inchikey: HYBCCAMTKDXYQQ-UHFFFAOYSA-N
norman_susdat_id: NS00034054
pubchem_cid: 100915
smiles: CCc1c(ccc(Cc2ccc(cc2)N2C(=O)C=CC2=O)c1)N1C(=O)C=CC1=O
inchi:
InChI=1S/C23H18N2O4/c1-2-17-14-16(5-8-19(17)25-22(28)11-12-23(25)29)13-15-3-6-18(7-4-15)24-20(26)9-10-21(24)27/h3-12,14H,2,13H2,1H3


name: Bis(2-ethylhexyl) hydrogen benzene-1,2,4-tricarboxylate
cas: 58978-43-1
dtxsid: DTXSID00974474
formula: C25H38O6
inchikey: UVGGJHWAFDJNPJ-UHFFFAOYSA-N
norman_susdat_id: NS00055708
pubchem_cid: 22491882
smiles: O=C(O)C1=CC=C(C(=O)OCC(CC)CCCC)C(=C1)C(=O)OCC(CC)CCCC
inchi:
InChI=1/C25H38O6/c1-5-9-11-18(7-3)16-30-24(28)21-14-13-20(23(26)27)15-22(21)25(29)31-17-19(8-4)12-10-6-2/h13-15,18-19H,5-12,16-17H2,1-4H3,(H,26,27)


cas: 58979-41-2
dtxsid: DTXSID20896609
formula: C29HF59O9
inchikey: NVGFEPAMFSXOAC-UHFFFAOYSA-N
norman_susdat_id: NS00109783
name:
1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,25,25,26,28,28,29,29,30,30,30-Pentatriacontafluoro-5,8,11,14,17,20,23,26-octakis(trifluoromethyl)-3,6,9,12,15,18,21,24,27-nonaoxatriacontane

inchi:
InChI=1/C29HF59O9/c30-1(2(31,32)33)89-22(73,74)4(36,13(47,48)49)91-24(77,78)6(38,15(53,54)55)93-26(81,82)8(40,17(59,60)61)95-28(85,86)10(42,19(65,66)67)97-29(87,88)11(43,20(68,69)70)96-27(83,84)9(41,18(62,63)64)94-25(79,80)7(39,16(56,57)58)92-23(75,76)5(37,14(50,51)52)90-21(71,72)3(34,35)12(44,45)46/h1H

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


name: 1-Hydroxy-4-((4-(2-hydroxyethoxy)phenyl)amino)anthraquinone
cas: 58979-45-6
chemspiderid: 91178
dtxsid: DTXSID00207719
formula: C22H17N1O5
inchikey: PJXKPELBCKOKJE-UHFFFAOYSA-N
norman_susdat_id: NS00034055
pubchem_cid: 100917
smiles: OCCOc1ccc(Nc2c3C(=O)c4c(cccc4)C(=O)c3c(O)cc2)cc1
inchi:
InChI=1S/C22H17NO5/c24-11-12-28-14-7-5-13(6-8-14)23-17-9-10-18(25)20-19(17)21(26)15-3-1-2-4-16(15)22(20)27/h1-10,23-25H,11-12H2


name: Acetamide, N-[5-(diethylamino)-2-[(3,5-dinitro-2-thienyl)azo]phenyl]-
cas: 58979-46-7
chemspiderid: 91179
dtxsid: DTXSID1069297
formula: C16H18N6O5S1
inchikey: KRGRZKUNEOEXJG-UHFFFAOYSA-N
norman_susdat_id: NS00020319
pubchem_cid: 100918
smiles: CCN(CC)c1cc(NC(=O)C)c(cc1)N=Nc1c(cc(s1)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C16H18N6O5S/c1-4-20(5-2)11-6-7-12(13(8-11)17-10(3)23)18-19-16-14(21(24)25)9-15(28-16)22(26)27/h6-9H,4-5H2,1-3H3,(H,17,23)/b19-18+


name: Sodium ethyl 3-oxidoacrylate
cas: 58986-28-0
formula: C5H8O3.Na
inchikey: ITWVTNYFGKFDGE-UHFFFAOYSA-M
norman_susdat_id: NS00088247
smiles: CCOC(=O)C=CO[Na]
inchi:
InChI=1/C5H8O3.Na/c1-2-8-5(7)3-4-6;/h3-4,6H,2H2,1H3;/q;+1/p-1/rC5H7NaO3/c1-2-8-5(7)3-4-9-6/h3-4H,2H2,1H3


name: Ranimustine
cas: 58994-96-0
chebiid: CHEBI:32089
dtxsid: DTXSID60866725
formula: C10H18ClN3O7
inchikey: AHHFEZNOXOZZQA-ZEBDFXRSSA-N
norman_susdat_id: NS00069261
pubchem_cid: 71741
smiles: CO[C@H]1O[C@H](CNC(=O)N(CCCl)N=O)[C@@H](O)[C@H](O)[C@H]1O
inchi:
InChI=1S/C10H18ClN3O7/c1-20-9-8(17)7(16)6(15)5(21-9)4-12-10(18)14(13-19)3-2-11/h5-9,15-17H,2-4H2,1H3,(H,12,18)/t5-,6-,7+,8-,9+/m1/s1


name: tocopherol
cas: 59-02-9
chebiid: CHEBI:93909
chemspiderid: 2032
formula: C29H50O2
inchikey: GVJHHUAWPYXKBD-UHFFFAOYSA-N
norman_susdat_id: NS00005562
pubchem_cid: 2116
smiles: CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(O)c(C)c(C)c2O1
inchi:
InChI=1S/C29H50O2/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-18-29(8)19-17-26-25(7)27(30)23(5)24(6)28(26)31-29/h20-22,30H,9-19H2,1-8H3


name: Methotrexate
cas: 59-05-2
chebiid: CHEBI:44185
chemspiderid: 112728
dtxsid: DTXSID4020822
formula: C20H22N8O5
inchikey: FBOZXECLQNJBKD-ZDUSSCGKSA-N
norman_susdat_id: NS00098764
pubchem_cid: 126941
smiles: CN(Cc1cnc2c(n1)c(nc(n2)N)N)c3ccc(cc3)C(=O)N[C@@H](CCC(=O)O)C(=O)O
inchi:
InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)/t13-/m0/s1


name: 5-Bromo-2'-deoxyuridine
cas: 59-14-3
chebiid: CHEBI:472552
chemspiderid: 5813
dtxsid: DTXSID7033105
formula: C9H11Br1N2O5
inchikey: WOVKYSAHUYNSMH-RRKCRQDMSA-N
norman_susdat_id: NS00034095
pubchem_cid: 6035
smiles: OCC1OC(CC1O)n1cc(Br)c(=O)[nH]c1=O
inchi:
InChI=1S/C9H11BrN2O5/c10-4-2-12(9(16)11-8(4)15)7-1-5(14)6(3-13)17-7/h2,5-7,13-14H,1,3H2,(H,11,15,16)/t5-,6-,7+/m0/s1


name: Folic acid
cas: 59-30-3
chebiid: CHEBI:27470
chemspiderid: 5815
dtxsid: DTXSID0022519
formula: C19H19N7O6
inchikey: OVBPIULPVIDEAO-LBPRGKRZSA-N
norman_susdat_id: NS00007261
pubchem_cid: 6037
smiles: Nc1nc(=O)c2nc(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2[nH]1
inchi:
InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1


name: Mepyramine maleate
cas: 59-33-6
formula: C17H23N3O.C4H4O4
inchikey: JXYWFNAQESKDNC-BTJKTKAUSA-N
norman_susdat_id: NS00079141
smiles: COc1ccc(CN(CCN(C)C)c2ccccn2)cc1.OC(=O)\C=C/C(=O)O
inchi:
InChI=1/C17H23N3O.C4H4O4/c1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15;5-3(6)1-2-4(7)8/h4-11H,12-14H2,1-3H3;1-2H,(H,5,6)(H,7,8)


name: Sulfaquinoxaline
cas: 59-40-5
chebiid: CHEBI:94719
chemspiderid: 5147
dtxsid: DTXSID8042424
formula: C14H12N4O2S1
inchikey: NHZLNPMOSADWGC-UHFFFAOYSA-N
norman_susdat_id: NS00004768
pubchem_cid: 5338
smiles: Nc1ccc(cc1)S(=O)(=O)Nc1cnc2ccccc2n1
inchi:
InChI=1S/C14H12N4O2S/c15-10-5-7-11(8-6-10)21(19,20)18-14-9-16-12-3-1-2-4-13(12)17-14/h1-9H,15H2,(H,17,18)


name: thiamine
cas: 59-43-8
chebiid: CHEBI:18385
chemspiderid: 1098
formula: C12H17N4O1S1
inchikey: JZRWCGZRTZMZEH-UHFFFAOYSA-N
norman_susdat_id: NS00002759
pubchem_cid: 1130
smiles: Cc1c(CCO)sc[n+]1Cc1cnc(C)nc1N
inchi:
InChI=1S/C12H17N4OS/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15)/q+1


name: Prosultiamine
cas: 59-58-5
chemspiderid: 4511078
dtxsid: DTXSID1046633
formula: C15H24N4O2S2
inchikey: UDCIYVVYDCXLSX-UHFFFAOYSA-N
norman_susdat_id: NS00034190
pubchem_cid: 4963
smiles: CCCSS/C(=C(/C)N(Cc1cnc(C)nc1N)C=O)/CCO
inchi:
InChI=1S/C15H24N4O2S2/c1-4-7-22-23-14(5-6-20)11(2)19(10-21)9-13-8-17-12(3)18-15(13)16/h8,10,20H,4-7,9H2,1-3H3,(H2,16,17,18)/b14-11-


name: 4-chloromercuriobenzoic acid
cas: 59-85-8
chebiid: CHEBI:28420
formula: C7H4ClHgO2.H
inchikey: YFZOUMNUDGGHIW-UHFFFAOYSA-M
norman_susdat_id: NS00079142
smiles: OC(=O)c1ccc([Hg]Cl)cc1
inchi:
InChI=1/C7H5O2.ClH.Hg/c8-7(9)6-4-2-1-3-5-6;;/h2-5H,(H,8,9);1H;/q;;+1/p-1/rC7H5ClHgO2/c8-9-6-3-1-5(2-4-6)7(10)11/h1-4H,(H,10,11)


name: Phenoxybenzamine
cas: 59-96-1
chebiid: CHEBI:8077
chemspiderid: 4604
dtxsid: DTXSID0023458
formula: C18H22Cl1N1O1
inchikey: QZVCTJOXCFMACW-UHFFFAOYSA-N
norman_susdat_id: NS00009393
pubchem_cid: 4768
smiles: CC(COc1ccccc1)N(CCCl)Cc1ccccc1
inchi:
InChI=1S/C18H22ClNO/c1-16(15-21-18-10-6-3-7-11-18)20(13-12-19)14-17-8-4-2-5-9-17/h2-11,16H,12-15H2,1H3


name: Carburazepam
cas: 59009-93-7
formula: C17H16ClN3O2
inchikey: HFFJORVBQWPILU-UHFFFAOYSA-N
norman_susdat_id: NS00055710
pubchem_cid: 68787
smiles: O=C(N)N1CC(=O)N(C2=CC=C(Cl)C=C2C1C=3C=CC=CC3)C
inchi:
InChI=1/C17H16ClN3O2/c1-20-14-8-7-12(18)9-13(14)16(11-5-3-2-4-6-11)21(17(19)23)10-15(20)22/h2-9,16H,10H2,1H3,(H2,19,23)


name: N6-(1-oxohexadecyl)-L-lysine
cas: 59012-43-0
formula: C22H44N2O3
inchikey: IWKZTTDNVPAHNP-FQEVSTJZSA-N
norman_susdat_id: NS00088206
smiles: CCCCCCCCCCCCCCCC(=O)NCCCC[C@H](N)C(=O)O
inchi:
InChI=1/C22H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21(25)24-19-16-15-17-20(23)22(26)27/h20H,2-19,23H2,1H3,(H,24,25)(H,26,27)


name: 3-((Aminoacetyl)amino)-5-(((2-hydroxyethyl)amino)carbonyl)-2,4,6-triiodobenzoic acid
cas: 59017-39-9
chemspiderid: 91189
dtxsid: DTXSID20207776
formula: C12H12I3N3O5
inchikey: PDXKTSSZEZWKPA-UHFFFAOYSA-N
norman_susdat_id: NS00034065
pubchem_cid: 100929
smiles: NCC(=O)Nc1c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c1I
inchi:
InChI=1S/C12H12I3N3O5/c13-7-5(11(21)17-1-2-19)8(14)10(18-4(20)3-16)9(15)6(7)12(22)23/h19H,1-3,16H2,(H,17,21)(H,18,20)(H,22,23)


name: Ioxaglic acid
cas: 59017-64-0
chebiid: CHEBI:31718
chemspiderid: 3611
dtxsid: DTXSID5023166
formula: C24H21I6N5O8
inchikey: TYYBFXNZMFNZJT-UHFFFAOYSA-N
norman_susdat_id: NS00006189
pubchem_cid: 3742
smiles: CNC(=O)c1c(I)c(N(C)C(C)=O)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(O)=O)c(I)c(C(=O)NCCO)c2I)c1I
inchi:
InChI=1S/C24H21I6N5O8/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43)


cas: 59018-13-2
formula: C24H21I6N5O8.C7H17NO5
inchikey: HUHDYASLFWQVOL-WZTVWXICSA-N
norman_susdat_id: NS00088248
name:
1-deoxy-1-(methylamino)-D-glucitol 3-[[[[3-(acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoyl]amino]acetyl]amino]-5-[[(2-hydroxyethyl)amino]carbonyl]-2,4,6-triiodobenzoate

inchi:
InChI=1/C24H21I6N5O8.C7H17NO5/c1-7(37)35(3)20-17(29)10(21(39)31-2)13(25)11(18(20)30)23(41)33-6-8(38)34-19-15(27)9(22(40)32-4-5-36)14(26)12(16(19)28)24(42)43;1-8-2-4(10)6(12)7(13)5(11)3-9/h36H,4-6H2,1-3H3,(H,31,39)(H,32,40)(H,33,41)(H,34,38)(H,42,43);4-13H,2-3H2,1H3

smiles:
CNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.CNC(=O)c1c(I)c(N(C)C(=O)C)c(I)c(C(=O)NCC(=O)Nc2c(I)c(C(=O)O)c(I)c(C(=O)NCCO)c2I)c1I


name: Aluminium icosanoate (1:3)
cas: 59025-08-0
formula: C20H40O2.1/3Al
inchikey: KVPNJOPUPXTXDX-UHFFFAOYSA-K
norman_susdat_id: NS00088207
smiles: [AlH3].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/3C20H40O2.Al.3H/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;;;;/h3*2-19H2,1H3,(H,21,22);;;;/q;;;+3;;;/p-3/r3C20H40O2.AlH3/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h3*2-19H2,1H3,(H,21,22);1H3/q;;;+3/p-3


name: 5-Ethyldihydro-5-(p-tolyl)-1H,5H-pyrimidine-4,6-dione
cas: 59026-32-3
chemspiderid: 91065
dtxsid: DTXSID30207787
formula: C13H16N2O2
inchikey: QEZWGNXBAXQVJT-UHFFFAOYSA-N
norman_susdat_id: NS00034067
pubchem_cid: 100785
smiles: CCC1(C(=O)NCNC1=O)c1ccc(C)cc1
inchi:
InChI=1S/C13H16N2O2/c1-3-13(10-6-4-9(2)5-7-10)11(16)14-8-15-12(13)17/h4-7H,3,8H2,1-2H3,(H,14,16)(H,15,17)


name: Strontium dioleate
cas: 59039-08-6
formula: C18H34O2.1/2Sr
inchikey: QRGQLRSDSGSLBD-CVBJKYQLSA-L
norman_susdat_id: NS00088283
smiles: [Sr+2].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H34O2.Sr/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2


name: Nafazatrom
cas: 59040-30-1
chemspiderid: 39138
dtxsid: DTXSID00207794
formula: C16H16N2O2
inchikey: ISBUYSPRIJRBKX-UHFFFAOYSA-N
norman_susdat_id: NS00034068
pubchem_cid: 42923
smiles: CC1=NN(CCOc2cc3ccccc3cc2)C(=O)C1
inchi:
InChI=1S/C16H16N2O2/c1-12-10-16(19)18(17-12)8-9-20-15-7-6-13-4-2-3-5-14(13)11-15/h2-7,11H,8-10H2,1H3


name: (9Z,12Z,15Z)-9,12,15-octadecatrienoyl chloride
cas: 59044-29-0
formula: C18H29ClO
inchikey: MRKXCQPDRPTZCG-PDBXOOCHSA-N
norman_susdat_id: NS00057086
pubchem_cid: 6436844
smiles: O=C(Cl)CCCCCCCC=CCC=CCC=CCC
inchi:
InChI=1/C18H29ClO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3


name: 2-chloro-6ß,9-difluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 17,21-di(acetate)
cas: 59047-08-4
dtxsid: DTXSID90974504
formula: C25H29ClF2O7
inchikey: UMRUFBVWHMUYIH-HKXOFBAYSA-N
norman_susdat_id: NS00055768
pubchem_cid: 100934
smiles: O=C1C=C2C(F)CC3C4CCC(OC(=O)C)(C(=O)COC(=O)C)C4(C)CC(O)C3(F)C2(C=C1Cl)C
inchi:
InChI=1/C25H29ClF2O7/c1-12(29)34-11-21(33)24(35-13(2)30)6-5-14-15-7-18(27)16-8-19(31)17(26)9-23(16,4)25(15,28)20(32)10-22(14,24)3/h8-9,14-15,18,20,32H,5-7,10-11H2,1-4H3


name: N,N'-(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis[2-[(5-chloro-o-tolyl)azo]-3-oxobutyramide]
cas: 5905-17-9
formula: C36H34Cl2N6O4
inchikey: ZQFJNGHOFUPFLE-UHFFFAOYSA-N
norman_susdat_id: NS00046832
pubchem_cid: 110732
smiles: O=C(NC1=CC=C(C=C1C)C=2C=CC(NC(=O)C(N=NC3=CC(Cl)=CC=C3C)C(=O)C)=C(C2)C)C(N=NC4=CC(Cl)=CC=C4C)C(=O)C
inchi:
InChI=1/C36H34Cl2N6O4/c1-19-7-11-27(37)17-31(19)41-43-33(23(5)45)35(47)39-29-13-9-25(15-21(29)3)26-10-14-30(22(4)16-26)40-36(48)34(24(6)46)44-42-32-18-28(38)12-8-20(32)2/h7-18,33-34H,1-6H3,(H,39,47)(H,40,48)


cas: 5905-22-6
dtxsid: DTXSID40889497
formula: C36H27N7O9S2
inchikey: MOGBMBYPOADVPS-UHFFFAOYSA-L
norman_susdat_id: NS00046878
pubchem_cid: 72698
name:
Disodium 7-[[3-[(4-aminobenzoyl)amino]benzoyl]amino]-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C36H27N7O9S2.2Na/c37-24-6-4-21(5-7-24)35(45)38-28-3-1-2-22(18-28)36(46)39-29-14-17-31-23(19-29)20-32(54(50,51)52)33(34(31)44)43-42-26-10-8-25(9-11-26)40-41-27-12-15-30(16-13-27)53(47,48)49;;/h1-20,44H,37H2,(H,38,45)(H,39,46)(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC1=CC=CC(=C1)C(=O)NC=2C=CC=3C(C2)=CC(=C(N=NC4=CC=C(N=NC5=CC=C(C=C5)S(=O)(=O)[O-])C=C4)C3O)S(=O)(=O)[O-])C6=CC=C(N)C=C6


cas: 5905-33-9
chemspiderid: 23351548
formula: C37H46N3O5
inchikey: FXBBPGQTSZZOEM-UHFFFAOYSA-N
norman_susdat_id: NS00034072
pubchem_cid: NA
smiles: CCOc1ccc(cc1)Nc2ccc(cc2)C(=C3C=CC(=[N+](CCO)CCO)C=C3C)c4ccc(cc4C)N(CCO)CCO.[Cl-]
name:
Ethanaminium, N-[4-[[4-[bis(2-hydroxyethyl)amino]-2-methylphenyl][4-[(4-ethoxyphenyl)amino]phenyl]methylene]-3-methyl-2,5-cyclohexadien-1-ylidene]-2-hydroxy-N-(2-hydroxyethyl)-, chloride

inchi:
InChI=1S/C37H45N3O5/c1-4-45-34-13-9-31(10-14-34)38-30-7-5-29(6-8-30)37(35-15-11-32(25-27(35)2)39(17-21-41)18-22-42)36-16-12-33(26-28(36)3)40(19-23-43)20-24-44/h5-16,25-26,41-44H,4,17-24H2,1-3H3/p+1


cas: 59056-62-1
chemspiderid: 91195
dtxsid: DTXSID30866732
formula: C18H28O2
inchikey: ANPXCNWSCGYEMA-UHFFFAOYSA-N
norman_susdat_id: NS00013070
pubchem_cid: 100938
smiles: CC(=O)OCC1CCC(C)(C)C23CC4CC2C13C4(C)C
name:
2,3b-Methano-3bH-cyclopenta[1,3]cyclopropa[1,2]benzene-4-methanol, octahydro-7,7,8,8-tetramethyl-, 4-acetate

inchi:
InChI=1S/C18H28O2/c1-11(19)20-10-12-6-7-15(2,3)17-9-13-8-14(17)18(12,17)16(13,4)5/h12-14H,6-10H2,1-5H3


cas: 59056-70-1
chemspiderid: 91198
dtxsid: DTXSID50866734
formula: C17H26O2
inchi: InChI=1S/C17H26O2/c1-14(2)6-5-11(9-19-10-18)17-13-7-12(15(17,3)4)8-16(13,14)17/h10-13H,5-9H2,1-4H3
inchikey: AMKJSSRFMFASCY-UHFFFAOYSA-N
norman_susdat_id: NS00013071
pubchem_cid: 100941
smiles: CC1(C)CCC(COC=O)C23C4CC(CC124)C3(C)C
name:
2,3b-Methano-3bH-cyclopenta[1,3]cyclopropa[1,2]benzene-4-methanol, octahydro-7,7,8,8-tetramethyl-, 4-formate


cas: 59056-72-3
dtxsid: DTXSID60974511
formula: C17H26O
inchi: InChI=1/C17H26O/c1-10(18)12-6-7-14(2,3)16-9-11-8-13(16)17(12,16)15(11,4)5/h11-13H,6-9H2,1-5H3
inchikey: HKTIONFMGKWLBV-UHFFFAOYSA-N
norman_susdat_id: NS00056213
pubchem_cid: 100943
smiles: O=C(C)C1CCC(C)(C)C23CC4CC2C13C4(C)C
name:
1-(octahydro-7,7,8,8-tetramethyl-2,3b-methano-3bH-cyclopenta[1,3]cyclopropa[1,2]benzen-4-yl)ethanone


name: 2,5-dichloro-N,N-bis(2-hydroxyethyl)-4-[(2-methyl-1H-indol-3-yl)azo]benzenesulphonamide
cas: 59057-74-8
formula: NA
inchikey: PKXXQOYMHSSRDX-UHFFFAOYSA-N
norman_susdat_id: NS00057087
pubchem_cid: 100945
smiles: OCCN(CCO)S(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc2c3ccccc3nc2C
inchi:
InChI=1/C19H20Cl2N4O4S/c1-12-19(13-4-2-3-5-16(13)22-12)24-23-17-10-15(21)18(11-14(17)20)30(28,29)25(6-8-26)7-9-27/h2-5,10-11,22,26-27H,6-9H2,1H3


name: 2-Propenoic acid, 2-[ethyl[(pentadecafluoroheptyl)sulfonyl]amino]ethyl ester
cas: 59071-10-2
chemspiderid: 91203
dtxsid: DTXSID3069306
formula: C14H12F15N1O4S1
inchikey: IIEYFHNUKYSWAV-UHFFFAOYSA-N
norman_susdat_id: NS00011117
pubchem_cid: 100948
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCOC(=O)C=C)C
inchi:
InChI=1S/C14H12F15NO4S/c1-3-7(31)34-6-5-30(4-2)35(32,33)14(28,29)12(23,24)10(19,20)8(15,16)9(17,18)11(21,22)13(25,26)27/h3H,1,4-6H2,2H3


name: Ethyl behenate
cas: 5908-87-2
chemspiderid: 20841
dtxsid: DTXSID80207813
formula: C24H48O2
inchikey: JIZCYLOUIAIZHQ-UHFFFAOYSA-N
norman_susdat_id: NS00034078
pubchem_cid: 22199
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)OCC
inchi:
InChI=1S/C24H48O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h3-23H2,1-2H3


name: Atropine salicylate
cas: 5908-95-2
formula: C17H23NO3.C7H6O3
inchikey: IZZLGHLOPJMTHW-RIMUKSHESA-N
norman_susdat_id: NS00082282
smiles: CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(CO)c3ccccc3.OC(=O)c4ccccc4O
inchi:
InChI=1/C17H23NO3.C7H6O3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;8-6-4-2-1-3-5(6)7(9)10/h2-6,13-16,19H,7-11H2,1H3;1-4,8H,(H,9,10)


name: C6 Alkyl polyglucoside
cas: 59080-45-4
chemspiderid: 157659
dtxsid: DTXSID60207816
formula: C12H24O6
inchikey: JVAZJLFFSJARQM-RMPHRYRLSA-N
norman_susdat_id: NS00095388
pubchem_cid: 181215
smiles: CCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
inchi:
InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11-,12-/m1/s1


name: 2-[(2-hydroxyethyl)amino]ethyl oleate
cas: 59086-74-7
formula: C22H43NO3
inchikey: UHEVUYWIUKQMTJ-KTKRTIGZSA-N
norman_susdat_id: NS00055774
pubchem_cid: 6436847
smiles: O=C(OCCNCCO)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)26-21-19-23-18-20-24/h9-10,23-24H,2-8,11-21H2,1H3


name: Ingenol-3,20-dibenzoate
cas: 59086-90-7
chebiid: CHEBI:5923
chemspiderid: 442043
formula: C34H36O7
inchikey: GIMKEHNOTHXONN-NXBFFCPZSA-N
norman_susdat_id: NS00093856
pubchem_cid: 28642879
smiles:
C[C@@H]1C[C@@H]2[C@@H](C2(C)C)[C@@H]3C=C([C@H]([C@]4([C@@]1(C3=O)C=C([C@@H]4OC(=O)C5=CC=CC=C5)C)O)O)COC(=O)C6=CC=CC=C6


name: Delergotril
cas: 59091-65-5
chemspiderid: 8440329
formula: C17H19N3
inchikey: LBMFWYCMCHRLBU-SGIREYDYSA-N
norman_susdat_id: NS00010473
pubchem_cid: 10264850
smiles: CN1C[C@H](C[C@H]2[C@H]1CC3=CNC4=CC=CC2=C34)CC#N
inchi:
InChI=1S/C17H19N3/c1-20-10-11(5-6-18)7-14-13-3-2-4-15-17(13)12(9-19-15)8-16(14)20/h2-4,9,11,14,16,19H,5,7-8,10H2,1H3/t11-,14+,16+/m0/s1


cas: 59097-99-3
formula: C50H59ClN4O14S2
inchikey: GTDJETMMOMKJCD-UHFFFAOYSA-N
norman_susdat_id: NS00056229
pubchem_cid: 135571058
name:
Benzoic acid, 3-[[8-(acetylamino)-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-4-[5-[[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-3-chloro-4-hydroxy-2-methylphenoxy]-, 1-butyl ester, compd. with pyridine (1:2)

inchi:
InChI=1/C50H59ClN4O14S2.2C5H5N/c1-11-15-20-67-48(60)29-16-18-39(34(22-29)54-55-44-41(71(64,65)66)23-30-21-32(70(61,62)63)25-35(52-28(6)56)42(30)46(44)58)69-40-26-36(45(57)43(51)27(40)5)53-47(59)37(12-2)68-38-19-17-31(49(7,8)13-3)24-33(38)50(9,10)14-4;2*1-2-4-6-5-3-1/h16-19,21-26,37,57-58H,11-15,20H2,1-10H3,(H,52,56)(H,53,59)(H,61,62,63)(H,64,65,66);2*1-5H

smiles:
O=C(OCCCC)C1=CC=C(OC=2C=C(NC(=O)C(OC3=CC=C(C=C3C(C)(C)CC)C(C)(C)CC)CC)C(O)=C(Cl)C2C)C(N=NC=4C(O)=C5C(C=C(C=C5NC(=O)C)S(=O)(=O)O)=CC4S(=O)(=O)O)=C1.N=1C=CC=CC1.N=1C=CC=CC1


name: Barium dioleate
cas: 591-65-1
formula: C18H34O2.1/2Ba
inchikey: BHDOPTZJCSDVJE-CVBJKYQLSA-L
norman_susdat_id: NS00079944
smiles: [Ba+2].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H34O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*9-10H,2-8,11-17H2,1H3,(H,19,20);/q;;+2/p-2


name: Tritetracontan-22-one
cas: 591-71-9
dtxsid: DTXSID90207844
formula: C43H86O
inchikey: ODSVXDFDFCXJDV-UHFFFAOYSA-N
norman_susdat_id: NS00043084
pubchem_cid: 68959
smiles: O=C(CCCCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C43H86O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43(44)42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-42H2,1-2H3


name: 1-methyl N-L-a-aspartyl-3-phenyl-L-alaninate monohydrochloride
cas: 5910-52-1
formula: C14H18N2O5.ClH
inchikey: AAQFSZFQCXLMNT-ACMTZBLWSA-N
norman_susdat_id: NS00082283
smiles: Cl.COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)O
inchi:
InChI=1/C14H18N2O5.ClH/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18;/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18);1H


name: Tris(tridecyl)amine
cas: 5910-77-0
chemspiderid: 72267
dtxsid: DTXSID20207852
formula: C39H81N1
inchikey: GDSGXRQXKTWBOS-UHFFFAOYSA-N
norman_susdat_id: NS00022447
pubchem_cid: 80012
smiles: CCCCCCCCCCCCCN(CCCCCCCCCCCCC)CCCCCCCCCCCCC
inchi:
InChI=1S/C39H81N/c1-4-7-10-13-16-19-22-25-28-31-34-37-40(38-35-32-29-26-23-20-17-14-11-8-5-2)39-36-33-30-27-24-21-18-15-12-9-6-3/h4-39H2,1-3H3


name: Sodium heptadecyl sulphate
cas: 5910-79-2
dtxsid: DTXSID30880478
formula: C17H36O4S
inchikey: HHURSJAUVYNJBT-UHFFFAOYSA-M
norman_susdat_id: NS00047404
pubchem_cid: 82166
smiles: [Na+].O=S(=O)([O-])OCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C17H36O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-22(18,19)20;/h2-17H2,1H3,(H,18,19,20);/q;+1/p-1


name: 2,2',2''-[(methylstannylidyne)tris(thio)]triethyl triacetate
cas: 59118-77-3
dtxsid: DTXSID90886350
formula: C13H24O6S3Sn
inchikey: SYPKACFPRZOONJ-UHFFFAOYSA-K
norman_susdat_id: NS00057089
pubchem_cid: NA
smiles: O=C(OCCS[Sn](SCCOC(=O)C)(SCCOC(=O)C)C)C
inchi:
InChI=1/3C4H8O2S.CH3.Sn/c3*1-4(5)6-2-3-7;;/h3*7H,2-3H2,1H3;1H3;/q;;;;+3/p-3/rC13H24O6S3Sn/c1-11(14)17-5-8-20-23(4,21-9-6-18-12(2)15)22-10-7-19-13(3)16/h5-10H2,1-4H3


name: 9-Octadecenoic acid (9Z)-, 2-mercaptoethyl ester
cas: 59118-78-4
chemspiderid: 4941458
dtxsid: DTXSID4028048
formula: C20H38O2S1
inchikey: WEMJWKKJHSZRQT-KTKRTIGZSA-N
norman_susdat_id: NS00022449
pubchem_cid: 6436848
smiles: CCCCCCCC/C=CCCCCCCCC(=O)OCCS
inchi:
InChI=1S/C20H38O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19-23/h9-10,23H,2-8,11-19H2,1H3/b10-9-


name: Misoprostol
cas: 59122-46-2
chemspiderid: 4445541
dtxsid: DTXSID7020897
formula: C22H38O5
inchikey: OJLOPKGSLYJEMD-URPKTTJQSA-N
norman_susdat_id: NS00005831
pubchem_cid: 5282381
smiles: CCCCC(C)(O)CC=C[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)OC
inchi:
InChI=1S/C22H38O5/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3/b12-10+/t17-,18-,20-,22?/m1/s1


name: Haloxazolam
cas: 59128-97-1
dtxsid: DTXSID60866740
formula: C17H14BrFN2O2
inchikey: XDKCGKQHVBOOHC-QGZVFWFLSA-N
norman_susdat_id: NS00072438
smiles: O=C1CN2CCO[C@]2(c2ccccc2F)c2cc(Br)ccc2N1
inchi:
InChI=1S/C17H14BrFN2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22)/t17-/m1/s1


name: 2'-anilino-6'-[ethyl(p-tolyl)amino]-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
cas: 59129-79-2
dtxsid: DTXSID50886351
formula: C36H30N2O3
inchikey: IXHBSOXJLNEOPY-UHFFFAOYSA-N
norman_susdat_id: NS00055813
pubchem_cid: 100964
smiles: O=C1OC2(C3=CC=C(C=C3OC=4C=C(C(=CC42)NC=5C=CC=CC5)C)N(C6=CC=C(C=C6)C)CC)C=7C=CC=CC17
inchi:
InChI=1/C36H30N2O3/c1-4-38(26-16-14-23(2)15-17-26)27-18-19-30-34(21-27)40-33-20-24(3)32(37-25-10-6-5-7-11-25)22-31(33)36(30)29-13-9-8-12-28(29)35(39)41-36/h5-22,37H,4H2,1-3H3


name: Cocaine nitrate
cas: 5913-62-2
formula: C17H21NO4.HNO3
inchikey: WMKJGEFEFFCBPM-VZXSFKIWSA-N
norman_susdat_id: NS00082632
smiles: COC(=O)[C@H]1[C@H](C[C@@H]2CC[C@H]1N2C)OC(=O)c3ccccc3.O[N+](=O)[O-]
inchi:
InChI=1/C17H21NO4.HNO3/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11;2-1(3)4/h3-7,12-15H,8-10H2,1-2H3;(H,2,3,4)


name: Codeine citrate
cas: 5913-73-5
formula: C18H21NO3.1/3C6H8O7
inchikey: ZFOSIHQKVUYFLN-FFHNEAJVSA-N
norman_susdat_id: NS00082252
smiles: COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O)[C@@H]5Oc1c2[C@]45CCN3C.OC(=O)CC(O)(CC(=O)O)C(=O)O
inchi:
InChI=1/C18H21NO3.C6H8O7/c1-19-8-7-18-11-4-5-13(20)17(18)22-16-14(21-2)6-3-10(15(16)18)9-12(11)19;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-6,11-13,17,20H,7-9H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)


name: Hexanoic acid, 2-ethyl-, hexadecyl ester
cas: 59130-69-7
chemspiderid: 39152
dtxsid: DTXSID20866741
formula: C24H48O2
inchikey: XJNUECKWDBNFJV-UHFFFAOYSA-N
norman_susdat_id: NS00007021
pubchem_cid: 42956
smiles: CCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC
inchi:
InChI=1S/C24H48O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-22-26-24(25)23(6-3)21-8-5-2/h23H,4-22H2,1-3H3


name: Hexanoic acid, 2-ethyl-, octadecyl ester
cas: 59130-70-0
chemspiderid: 91218
dtxsid: DTXSID80866742
formula: C26H52O2
inchikey: PIUVNPNBPWVVKZ-UHFFFAOYSA-N
norman_susdat_id: NS00008369
pubchem_cid: 100965
smiles: CCCCCCCCCCCCCCCCCCOC(=O)C(CC)CCCC
inchi:
InChI=1S/C26H52O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28-26(27)25(6-3)23-8-5-2/h25H,4-24H2,1-3H3


name: Phosphoric acid, dodecyl ester, compd. with 2,2',2''-nitrilotris[ethanol]
cas: 59146-94-0
formula: -
inchikey: BIHQJMSIEXRWPS-UHFFFAOYSA-N
norman_susdat_id: NS00088101
smiles: CCCCCCCCCCCCOP(=O)(O)O.OCCN(CCO)CCO
inchi:
InChI=1/C12H27O4P.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;8-4-1-7(2-5-9)3-6-10/h2-12H2,1H3,(H2,13,14,15);8-10H,1-6H2


name: Sodium 2-[4-[[2,4-dihydroxy-3-(phenylazo)phenyl]azo]phenyl]-6-methylbenzothiazole-7-sulphonate
cas: 5915-59-3
dtxsid: DTXSID90884199
formula: C26H19N5O5S2
inchikey: NMUAUWWRCYGMKC-UHFFFAOYSA-M
norman_susdat_id: NS00047957
pubchem_cid: 136675528
smiles: [Na+].O=S(=O)([O-])C=1C=2SC(=NC2C=CC1C)C3=CC=C(N=NC4=CC=C(O)C(N=NC=5C=CC=CC5)=C4O)C=C3
inchi:
InChI=1/C26H19N5O5S2.Na/c1-15-7-12-20-24(25(15)38(34,35)36)37-26(27-20)16-8-10-18(11-9-16)28-30-19-13-14-21(32)22(23(19)33)31-29-17-5-3-2-4-6-17;/h2-14,32-33H,1H3,(H,34,35,36);/q;+1/p-1


cas: 5915-60-6
formula: C48H30N8O8S6
inchikey: WNXSCCXTLZXVGX-UHFFFAOYSA-L
norman_susdat_id: NS00047309
pubchem_cid: NA
name:
Disodium 2',2'''-[(2,4-dihydroxy-1,3-phenylene)bis(azo-4,1-phenylene)]bis[6-methyl[2,6'-bibenzothiazole]-7-sulphonate]

inchi:
InChI=1/C48H30N8O8S6.2Na/c1-23-3-15-34-41(43(23)69(59,60)61)67-47(51-34)27-9-17-31-37(21-27)65-45(49-31)25-5-11-29(12-6-25)53-55-33-19-20-36(57)39(40(33)58)56-54-30-13-7-26(8-14-30)46-50-32-18-10-28(22-38(32)66-46)48-52-35-16-4-24(2)44(42(35)68-48)70(62,63)64;;/h3-22,57-58H,1-2H3,(H,59,60,61)(H,62,63,64);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=C2SC(=NC2=CC=C1C)C3=CC=C4N=C(SC4=C3)C5=CC=C(N=NC6=CC=C(O)C(N=NC7=CC=C(C=C7)C8=NC9=CC=C(C=C9S8)C%10=NC%11=CC=C(C(=C%11S%10)S(=O)(=O)[O-])C)=C6O)C=C5


cas: 59157-52-7
dtxsid: DTXSID70886353
formula: C41H80O6S3Sn
inchikey: PRCMHRHZMBQCLK-UHFFFAOYSA-K
norman_susdat_id: NS00055885
pubchem_cid: NA
smiles: O=C(OCC(CC)CCCC)CCS[Sn](SCCC(=O)OCC(CC)CCCC)(SCCC(=O)OCC(CC)CCCC)CCCCCCCC
name:
2-ethylhexyl 12-ethyl-5-[[3-[(2-ethylhexyl)oxy]-3-oxopropyl]thio]-5-octyl-9-oxo-10-oxa-4,6-dithia-5-stannahexadecanoate

inchi:
InChI=1/3C11H22O2S.C8H17.Sn/c3*1-3-5-6-10(4-2)9-13-11(12)7-8-14;1-3-5-7-8-6-4-2;/h3*10,14H,3-9H2,1-2H3;1,3-8H2,2H3;/q;;;;+3/p-3/rC41H80O6S3Sn/c1-8-15-19-20-21-22-32-51(48-29-26-39(42)45-33-36(12-5)23-16-9-2,49-30-27-40(43)46-34-37(13-6)24-17-10-3)50-31-28-41(44)47-35-38(14-7)25-18-11-4/h36-38H,8-35H2,1-7H3


name: Lidofenin
cas: 59160-29-1
chebiid: CHEBI:135229
chemspiderid: 39159
dtxsid: DTXSID2046389
formula: C14H18N2O5
inchikey: DJQJFMSHHYAZJD-UHFFFAOYSA-N
norman_susdat_id: NS00034099
pubchem_cid: 42963
smiles: Cc1cccc(C)c1NC(=O)CN(CC(=O)O)CC(=O)O
inchi:
InChI=1S/C14H18N2O5/c1-9-4-3-5-10(2)14(9)15-11(17)6-16(7-12(18)19)8-13(20)21/h3-5H,6-8H2,1-2H3,(H,15,17)(H,18,19)(H,20,21)


name: Quinoxalin-2-ylmethyl hydrogen succinate N,N'-dioxide
cas: 59173-04-5
formula: C13H12N2O6
inchikey: IOSJFOUIOJBUSW-UHFFFAOYSA-N
norman_susdat_id: NS00055886
pubchem_cid: 100975
smiles: O=C(O)CCC(=O)OCC1=CN(=O)=C2C=CC=CC2=N1=O
inchi:
InChI=1/C13H12N2O6/c16-12(17)5-6-13(18)21-8-9-7-14(19)10-3-1-2-4-11(10)15(9)20/h1-4,7H,5-6,8H2,(H,16,17)


name: 2-ethylhexyl 12-ethyl-5,5-dioctyl-9-oxo-10-oxa-4,6-dithia-5-stannahexadecanoate
cas: 59185-95-4
dtxsid: DTXSID30886354
formula: C38H76O4S2Sn
inchikey: AABSCORIAJETCY-UHFFFAOYSA-L
norman_susdat_id: NS00055994
pubchem_cid: NA
smiles: O=C(OCC(CC)CCCC)CCS[Sn](SCCC(=O)OCC(CC)CCCC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/2C11H22O2S.2C8H17.Sn/c2*1-3-5-6-10(4-2)9-13-11(12)7-8-14;2*1-3-5-7-8-6-4-2;/h2*10,14H,3-9H2,1-2H3;2*1,3-8H2,2H3;/q;;;;+2/p-2/rC38H76O4S2Sn/c1-7-13-17-19-21-23-31-45(32-24-22-20-18-14-8-2,43-29-27-37(39)41-33-35(11-5)25-15-9-3)44-30-28-38(40)42-34-36(12-6)26-16-10-4/h35-36H,7-34H2,1-6H3


name: SODIUM CETEARYL SUL- FATE
cas: 59186-41-3
chebiid: CHEBI:173347
chemspiderid: 8572
formula: C18H38O4S1
inchikey: HVWGGPRWKSHASF-UHFFFAOYSA-N
norman_susdat_id: NS00014050
pubchem_cid: 8912
smiles: [Na+].CCCCCCCCCCCCCCCCCCO[S]([O-])(=O)=O.CCCCCCCCCCCCCCCCO[S]([O-])(=O)=O
inchi:
InChI=1S/C18H38O4S.C16H34O4S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-23(19,20)21;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;/h2-18H2,1H3,(H,19,20,21);2-16H2,1H3,(H,17,18,19);/q;;+1/p-2


name: Didodecyl 4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl phosphite
cas: 59189-82-1
dtxsid: DTXSID0052257
formula: C39H65O4P
inchikey: VBQRJCUGJJZMHY-UHFFFAOYSA-N
norman_susdat_id: NS00055995
pubchem_cid: 62147
smiles: OC1=CC=C(C=C1)C(C2=CC=C(OP(OCCCCCCCCCCCC)OCCCCCCCCCCCC)C=C2)(C)C
inchi:
InChI=1/C39H65O4P/c1-5-7-9-11-13-15-17-19-21-23-33-41-44(42-34-24-22-20-18-16-14-12-10-8-6-2)43-38-31-27-36(28-32-38)39(3,4)35-25-29-37(40)30-26-35/h25-32,40H,5-24,33-34H2,1-4H3


name: 9-fluoro-11ß,17,21-trihydroxy-16ß-methylpregna-1,4-diene-3,20-dione 21-acetate 17-valerate
cas: 5919-89-1
dtxsid: DTXSID80974619
formula: C29H39FO7
inchikey: QSZKFXMOBKKROF-YCUXZELOSA-N
norman_susdat_id: NS00047959
pubchem_cid: 111111
smiles: O=C1C=CC2(C(=C1)CCC3C4CC(C)C(OC(=O)CCCC)(C(=O)COC(=O)C)C4(C)CC(O)C32F)C
inchi:
InChI=1/C29H39FO7/c1-6-7-8-25(35)37-29(24(34)16-36-18(3)31)17(2)13-22-21-10-9-19-14-20(32)11-12-26(19,4)28(21,30)23(33)15-27(22,29)5/h11-12,14,17,21-23,33H,6-10,13,15-16H2,1-5H3


name: 2-Naphthalenecarboxamide, N-(2,5-dichlorophenyl)-3-hydroxy-
cas: 59192-05-1
chemspiderid: 91231
dtxsid: DTXSID7069314
formula: C17H11Cl2N1O2
inchikey: XRSZVNFMWDURBA-UHFFFAOYSA-N
norman_susdat_id: NS00034105
pubchem_cid: 100981
smiles: Oc1cc2ccccc2cc1C(=O)Nc1cc(Cl)ccc1Cl
inchi:
InChI=1S/C17H11Cl2NO2/c18-12-5-6-14(19)15(9-12)20-17(22)13-7-10-3-1-2-4-11(10)8-16(13)21/h1-9,21H,(H,20,22)


name: 6a,9-difluoro-11ß,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-valerate
cas: 59198-70-8
chebiid: CHEBI:31484
dtxsid: DTXSID1048598
formula: C27H36F2O5
inchikey: HHJIUUAMYGBVSD-YTFFSALGSA-N
norman_susdat_id: NS00055473
pubchem_cid: 91670
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(C(=O)COC(=O)CCCC)C4(C)CC(O)C32F)C
inchi:
InChI=1/C27H36F2O5/c1-5-6-7-23(33)34-14-21(31)24-15(2)10-17-18-12-20(28)19-11-16(30)8-9-26(19,4)27(18,29)22(32)13-25(17,24)3/h8-9,11,15,17-18,20,22,24,32H,5-7,10,12-14H2,1-4H3


name: (±)-7-[[(4-fluorophenyl)methyl]amino]-8-methylnonan-1-oic acid
cas: 59209-97-1
dtxsid: DTXSID60866745
formula: C17H26FNO2
inchikey: YZYKBQUWMPUVEN-UHFFFAOYSA-N
norman_susdat_id: NS00055996
pubchem_cid: 68789
smiles: O=C(O)CCCCCC(NCC1=CC=C(F)C=C1)C(C)C
inchi:
InChI=1/C17H26FNO2/c1-13(2)16(6-4-3-5-7-17(20)21)19-12-14-8-10-15(18)11-9-14/h8-11,13,16,19H,3-7,12H2,1-2H3,(H,20,21)


name: Disodium (Z)-4-(9-octadecenylamino)-4-oxo-3-sulphonatobutyrate
cas: 59219-57-7
formula: C22H41NO6S
inchikey: BRYCLDFAKDCALQ-XXAVUKJNSA-L
norman_susdat_id: NS00055474
pubchem_cid: NA
smiles: [Na+].[Na+].O=C([O-])CC(C(=O)NCCCCCCCCC=CCCCCCCCC)S(=O)(=O)[O-]
inchi:
InChI=1/C22H41NO6S.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-22(26)20(19-21(24)25)30(27,28)29;;/h9-10,20H,2-8,11-19H2,1H3,(H,23,26)(H,24,25)(H,27,28,29);;/q;2*+1/p-2


name: Tetrahexylammonium chloride
cas: 5922-92-9
formula: C24H52N.Cl
inchikey: ODTSDWCGLRVBHJ-UHFFFAOYSA-M
norman_susdat_id: NS00082111
smiles: [Cl-].CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC
inchi:
InChI=1/C24H52N.ClH/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;/h5-24H2,1-4H3;1H/q+1;/p-1


name: ISODECYL PALMITATE
cas: 59231-33-3
chemspiderid: 91240
formula: C26H52O2
inchikey: KUCCCVXLSQTKHH-UHFFFAOYSA-N
norman_susdat_id: NS00013776
pubchem_cid: 100991
smiles: CCCCCCCCCCCCCCCC(=O)OCCCCCCCC(C)C
inchi:
InChI=1S/C26H52O2/c1-4-5-6-7-8-9-10-11-12-13-14-17-20-23-26(27)28-24-21-18-15-16-19-22-25(2)3/h25H,4-24H2,1-3H3


name: Isodecyl oleate
cas: 59231-34-4
chemspiderid: 4941354
dtxsid: DTXSID40894425
formula: C28H54O2
inchikey: ODMZDMMTKHXXKA-QXMHVHEDSA-N
norman_susdat_id: NS00001316
pubchem_cid: 6436737
smiles: CCCCCCCCC=C/CCCCCCCC(=O)OCCCCCCCC(C)C
inchi:
InChI=1S/C28H54O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28(29)30-26-23-20-17-18-21-24-27(2)3/h11-12,27H,4-10,13-26H2,1-3H3/b12-11-


name: ISOTRIDECYL ISONO- NANOATE
cas: 59231-37-7
chemspiderid: 91242
formula: C22H44O2
inchikey: WAYINTBTZWQNSN-UHFFFAOYSA-N
norman_susdat_id: NS00013802
pubchem_cid: 100993
smiles: CC(C)CCCCCCCCCCOC(=O)CC(C)CC(C)(C)C
inchi:
InChI=1S/C22H44O2/c1-19(2)15-13-11-9-7-8-10-12-14-16-24-21(23)17-20(3)18-22(4,5)6/h19-20H,7-18H2,1-6H3


name: 4-hydroxy-3-[(2-hydroxy-4-nitrophenyl)azo]naphthalenesulphonic acid
cas: 5924-52-7
formula: C16H12N3O7S
inchikey: TVDYWLGZGGCGAN-UHFFFAOYSA-N
norman_susdat_id: NS00047311
pubchem_cid: 135596606
smiles: O=[N+]([O-])C1=CC=C(N=NC=2C=C(C=3C=CC=CC3C2O)S(=O)(=O)O)C(O)=C1
inchi:
InChI=1/C16H11N3O7S/c20-14-7-9(19(22)23)5-6-12(14)17-18-13-8-15(27(24,25)26)10-3-1-2-4-11(10)16(13)21/h1-8,20-21H,(H,24,25,26)


name: [1,1'-Biphenyl]-4-carboxamide, N-(9,10-dihydro-9,10-dioxo-1-anthracenyl)-
cas: 5924-63-0
chemspiderid: 72277
dtxsid: DTXSID3064061
formula: C27H17N1O3
inchikey: ZRUUGRHGQSECFJ-UHFFFAOYSA-N
norman_susdat_id: NS00034114
pubchem_cid: 80023
smiles: O=C(Nc1c2C(=O)c3c(cccc3)C(=O)c2ccc1)c1ccc(cc1)c1ccccc1
inchi:
InChI=1S/C27H17NO3/c29-25-20-9-4-5-10-21(20)26(30)24-22(25)11-6-12-23(24)28-27(31)19-15-13-18(14-16-19)17-7-2-1-3-8-17/h1-16H,(H,28,31)


name: 1,3-diacetoxy-1,1,3,3-tetramethyldistannoxane
cas: 5926-79-4
formula: C8H18O5Sn2
inchikey: VNRQFTQKKOQJIA-UHFFFAOYSA-L
norman_susdat_id: NS00046654
pubchem_cid: 16683964
smiles: O=C(O[Sn](O[Sn](OC(=O)C)(C)C)(C)C)C
inchi:
InChI=1/2C2H4O2.4CH3.O.2Sn/c2*1-2(3)4;;;;;;;/h2*1H3,(H,3,4);4*1H3;;;/q;;;;;;;2*+1/p-2/rC8H18O5Sn2/c1-7(9)11-14(3,4)13-15(5,6)12-8(2)10/h1-6H3


cas: 59262-64-5
dtxsid: DTXSID00889731
formula: C45H34N12O15S4
inchikey: DBKQULPNJJEYMH-UHFFFAOYSA-J
norman_susdat_id: NS00056830
pubchem_cid: NA
name:
Tetrasodium 3,3'-[carbonylbis(imino-p-phenyleneazo)]bis[4-amino-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate]

inchi:
InChI=1/C45H34N12O15S4.4Na/c46-37-35-23(21-33(75(67,68)69)41(43(35)58)56-50-27-7-3-1-4-8-27)19-31(73(61,62)63)39(37)54-52-29-15-11-25(12-16-29)48-45(60)49-26-13-17-30(18-14-26)53-55-40-32(74(64,65)66)20-24-22-34(76(70,71)72)42(44(59)36(24)38(40)47)57-51-28-9-5-2-6-10-28;;;;/h1-22,58-59H,46-47H2,(H2,48,49,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C(NC1=CC=C(N=NC=2C(N)=C3C(C=C(C(N=NC=4C=CC=CC4)=C3O)S(=O)(=O)[O-])=CC2S(=O)(=O)[O-])C=C1)NC5=CC=C(N=NC=6C(N)=C7C(C=C(C(N=NC=8C=CC=CC8)=C7O)S(=O)(=O)[O-])=CC6S(=O)(=O)[O-])C=C5


name: 3-(3-ethylhexahydro-1-methyl-1H-azepin-3-yl)phenol hydrochloride
cas: 59263-76-2
formula: C15H23NO.ClH
inchikey: MPJUSISYVXABBH-UHFFFAOYSA-N
norman_susdat_id: NS00088117
smiles: Cl.CCC1(CCCCN(C)C1)c2cccc(O)c2
inchi:
InChI=1/C15H23NO.ClH/c1-3-15(9-4-5-10-16(2)12-15)13-7-6-8-14(17)11-13;/h6-8,11,17H,3-5,9-10,12H2,1-2H3;1H


name: Ethylenebis[dioctylphosphine] dioxide
cas: 5927-49-1
dtxsid: DTXSID40207990
formula: C34H72O2P2
inchikey: JBNGGHISODTKPN-UHFFFAOYSA-N
norman_susdat_id: NS00048026
pubchem_cid: 80030
smiles: O=P(CCCCCCCC)(CCCCCCCC)CCP(=O)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/C34H72O2P2/c1-5-9-13-17-21-25-29-37(35,30-26-22-18-14-10-6-2)33-34-38(36,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-34H2,1-4H3


name: 1-Propanaminium, N-(carboxymethyl)-N,N-dimethyl-3-[(1-oxotetradecyl)amino]-, inner salt
cas: 59272-84-3
chemspiderid: 91247
dtxsid: DTXSID9041283
formula: C21H43N2O3
inchikey: QGCUAFIULMNFPJ-UHFFFAOYSA-O
norman_susdat_id: NS00013872
pubchem_cid: 100998
smiles: CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CC([O-])=O
inchi:
InChI=1S/C21H42N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-16-20(24)22-17-15-18-23(2,3)19-21(25)26/h4-19H2,1-3H3,(H-,22,24,25,26)


name: Phenoxymethylpenicillin-Benzathine
cas: 5928-84-7
inchikey: BBTOYUUSUQNIIY-UHFFFAOYSA-N
norman_susdat_id: NS00078742
smiles:
C(CNCc1ccccc1)NCc1ccccc1.CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(O)=O.CC1(C)SC2C(NC(=O)COc3ccccc3)C(=O)N2C1C(O)=O


name: 2-(1-benzyl-5-methoxy-2-methyl-1h-indol-3-yl)acetic acid
cas: 59283-35-1
dtxsid: DTXSID40274304
formula: C19H19NO3
inchikey: ZEKCBTQHDTUHRJ-UHFFFAOYSA-N
norman_susdat_id: NS00068726
pubchem_cid: 1372
smiles: COc1ccc2c(c1)c(CC(=O)O)c(C)n2Cc1ccccc1
inchi:
InChI=1S/C19H19NO3/c1-13-16(11-19(21)22)17-10-15(23-2)8-9-18(17)20(13)12-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,21,22)


name: 9,10-bis(acetoxy)octadecanoic acid
cas: 5929-62-4
dtxsid: DTXSID70974724
formula: C22H40O6
inchikey: LARFWTRXFFKXOV-UHFFFAOYSA-N
norman_susdat_id: NS00047393
pubchem_cid: 110736
smiles: O=C(OC(CCCCCCCC(=O)O)C(OC(=O)C)CCCCCCCC)C
inchi:
InChI=1/C22H40O6/c1-4-5-6-7-9-12-15-20(27-18(2)23)21(28-19(3)24)16-13-10-8-11-14-17-22(25)26/h20-21H,4-17H2,1-3H3,(H,25,26)


name: Potassium stearate
cas: 593-29-3
formula: C18H36O2.K
inchikey: ANBFRLKBEIFNQU-UHFFFAOYSA-M
norman_susdat_id: NS00079979
smiles: [K+].CCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H36O2.K/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1


name: OLEYL GLYCERYL ETHER
cas: 593-31-7
chemspiderid: 4508526
formula: C21H42O3
inchikey: NRWMBHYHFFGEEC-MDZDMXLPSA-N
norman_susdat_id: NS00013924
pubchem_cid: 5351510
smiles: CCCCCCCC/C=C/CCCCCCCCOCC(O)CO
inchi:
InChI=1S/C21H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-20-21(23)19-22/h9-10,21-23H,2-8,11-20H2,1H3/b10-9+


name: (Z)-octadec-6-enoic acid
cas: 593-39-5
chebiid: CHEBI:28194
formula: C18H34O2
inchikey: CNVZJPUDSLNTQU-SEYXRHQNSA-N
norman_susdat_id: NS00042695
pubchem_cid: 5281125
smiles: O=C(O)CCCCC=CCCCCCCCCCCC
inchi:
InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h12-13H,2-11,14-17H2,1H3,(H,19,20)


name: Heptacosane
cas: 593-49-7
chebiid: CHEBI:32941
chemspiderid: 11146
dtxsid: DTXSID6058637
formula: C27H56
inchikey: BJQWYEJQWHSSCJ-UHFFFAOYSA-N
norman_susdat_id: NS00010782
pubchem_cid: 11636
smiles: C(CCCCCCCCCCCCC)CCCCCCCCCCCCC
inchi:
InChI=1S/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3


name: 1-Triacontanol
cas: 593-50-0
chebiid: CHEBI:28409
chemspiderid: 62194
dtxsid: DTXSID5029188
formula: C30H62O1
inchikey: REZQBEBOWJAQKS-UHFFFAOYSA-N
norman_susdat_id: NS00013868
pubchem_cid: 68972
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCO
inchi:
InChI=1S/C30H62O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h31H,2-30H2,1H3


name: Aminophenazone 2,5-dihydroxybenzoate
cas: 59302-11-3
formula: C13H17N3O.xC7H6O4
inchikey: GQUQRKUQWVVIJY-UHFFFAOYSA-N
norman_susdat_id: NS00087916
smiles: CN(C)C1=C(C)N(C)N(C1=O)c2ccccc2.OC(=O)c3cc(O)ccc3O
inchi:
InChI=1/C13H17N3O.C7H6O4/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;8-4-1-2-6(9)5(3-4)7(10)11/h5-9H,1-4H3;1-3,8-9H,(H,10,11)


cas: 59307-49-2
formula: C32H18CrN6O8.Na
inchikey: MRNWMCMUBTXAIQ-UHFFFAOYSA-J
norman_susdat_id: NS00088166
smiles: [Na]Oc1ccc(cc1N=Nc2c(O[Cr]3Oc4ccc(cc4N=Nc5c(O3)ccc6ccccc56)N(=O)=O)ccc7ccccc27)N(=O)=O
name:
Sodium [1-[(2-hydroxy-4-nitrophenyl)azo]-2-naphtholato(2-)][1-[(2-hydroxy-5-nitrophenyl)azo]-2-naphtholato(2-)]chromate(1-)

inchi:
InChI=1/2C16H11N3O4.Cr.Na/c2*20-14-8-6-11(19(22)23)9-13(14)17-18-16-12-4-2-1-3-10(12)5-7-15(16)21;;/h2*1-9,20-21H;;/q;;+3;+1/p-4/rC32H19CrN6O8.Na/c40-27-13-11-21(38(41)42)17-25(27)34-36-31-23-7-3-1-5-19(23)9-14-29(31)46-33-45-28-16-12-22(39(43)44)18-26(28)35-37-32-24-8-4-2-6-20(24)10-15-30(32)47-33;/h1-18,40H;/q;+1/p-1


cas: 59312-61-7
chemspiderid: 7850624
dtxsid: DTXSID1069322
formula: C20H16N4O5S1
inchikey: BDXBNMODQSESLA-UHFFFAOYSA-N
norman_susdat_id: NS00019828
pubchem_cid: NA
smiles: CN1C(=O)/C(=NNc2cc(OS(=O)(=O)c3ccccc3)ccc2)/C(=C(C#N)C1=O)C
name:
3-Pyridinecarbonitrile, 1,2-dihydro-6-hydroxy-1,4-dimethyl-2-oxo-5-[[3-[(phenylsulfonyl)oxy]phenyl]azo]-

inchi:
InChI=1S/C20H16N4O5S/c1-13-17(12-21)19(25)24(2)20(26)18(13)23-22-14-7-6-8-15(11-14)29-30(27,28)16-9-4-3-5-10-16/h3-11,22H,1-2H3/b23-18-


name: Sodium 5-amino-4-methoxy-2-nitrobenzenesulphonate
cas: 59312-73-1
formula: C7H8N2O6S.Na
inchikey: KVJWAYQTZJQCNQ-UHFFFAOYSA-M
norman_susdat_id: NS00088568
smiles: [Na+].COc1cc(c(cc1N)S(=O)(=O)[O-])[N+](=O)[O-]
inchi:
InChI=1/C7H8N2O6S.Na/c1-15-6-3-5(9(10)11)7(2-4(6)8)16(12,13)14;/h2-3H,8H2,1H3,(H,12,13,14);/q;+1/p-1


name: Sodium pyrene-1-sulphonate
cas: 59323-54-5
dtxsid: DTXSID60208060
formula: C16H10O3S
inchikey: HCOPYCNNZOWMTD-UHFFFAOYSA-M
norman_susdat_id: NS00055958
pubchem_cid: 101009
smiles: [Na+].O=S(=O)([O-])C1=CC=C2C=CC3=CC=CC=4C=CC1=C2C34
inchi:
InChI=1/C16H10O3S.Na/c17-20(18,19)14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11;/h1-9H,(H,17,18,19);/q;+1/p-1


name: Sodium [(hydroxytetradecyl)thio]acetate
cas: 59330-91-5
dtxsid: DTXSID60208065
formula: C16H32O3S
inchikey: AHLKLCUIYGRDPP-UHFFFAOYSA-M
norman_susdat_id: NS00056832
pubchem_cid: 3017137
smiles: [Na+].O=C([O-])CSC(O)CCCCCCCCCCCCC
inchi:
InChI=1/C16H32O3S.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(19)20-14-15(17)18;/h16,19H,2-14H2,1H3,(H,17,18);/q;+1/p-1


name: 1,1'-methylenebis[4-(2,3-epoxypropoxy)cyclohexane]
cas: 59333-65-2
dtxsid: DTXSID00974757
formula: C19H32O4
inchikey: GFSFMWIMDVXLEA-UHFFFAOYSA-N
norman_susdat_id: NS00056056
pubchem_cid: 101011
smiles: O1CC1COC2CCC(CC2)CC3CCC(OCC4OC4)CC3
inchi:
InChI=1/C19H32O4/c1-5-16(20-10-18-12-22-18)6-2-14(1)9-15-3-7-17(8-4-15)21-11-19-13-23-19/h14-19H,1-13H2


name: N-((1-allylpyrrolidin-2-yl)methyl)-6-methoxy-1h-benzo[d][1
cas: 59338-87-3
dtxsid: DTXSID10866755
formula: C16H21N5O2
inchikey: KSEYRUGYKHXGFW-LLVKDONJSA-N
norman_susdat_id: NS00068786
smiles: C=CCN1CCC[C@@H]1CNC(=O)c1cc2[nH]nnc2cc1OC
inchi:
InChI=1S/C16H21N5O2/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20)/t11-/m1/s1


name: Aalizapride
cas: 59338-93-1
chebiid: CHEBI:94316
chemspiderid: 39202
formula: C16H21N5O2
inchikey: KSEYRUGYKHXGFW-UHFFFAOYSA-N
norman_susdat_id: NS00009083
pubchem_cid: 43008
smiles: COc1cc2n[nH]nc2cc1C(=O)NCC1CCCN1CC=C
inchi:
InChI=1S/C16H21N5O2/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20)


name: 4-[[4-[(4-aminophenyl)sulphonyl]phenyl]amino]-4-oxobutyric acid
cas: 5934-14-5
chebiid: CHEBI:135473
dtxsid: DTXSID00863657
formula: C16H16N2O5S
inchikey: QAJQUUOBVOKLOD-UHFFFAOYSA-N
norman_susdat_id: NS00047401
pubchem_cid: 68350
smiles: O=C(O)CCC(=O)NC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(N)C=C2
inchi:
InChI=1/C16H16N2O5S/c17-11-1-5-13(6-2-11)24(22,23)14-7-3-12(4-8-14)18-15(19)9-10-16(20)21/h1-8H,9-10,17H2,(H,18,19)(H,20,21)


name: 12-methoxyibogamine monohydrochloride
cas: 5934-55-4
formula: C20H26N2O.ClH
inchikey: IKJFDJLQPHDRTD-ISYVNWANSA-N
norman_susdat_id: NS00082149
smiles: Cl.CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(CCc4c3[nH]c5ccc(OC)cc45)C2
inchi:
InChI=1/C20H26N2O.ClH/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19;/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3;1H


cas: 5935-65-9
dtxsid: DTXSID70974769
formula: C14H14N2O5S2
inchikey: HTBAVMIGXROYPQ-GWCFXTLKSA-N
norman_susdat_id: NS00047407
pubchem_cid: 22827026
smiles: O=C(O)C1=C(CO)CSC2N1C(=O)C2NC(=O)CC=3SC=CC3
name:
(6R-trans)-3-(hydroxymethyl)-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

inchi:
InChI=1/C14H14N2O5S2/c17-5-7-6-23-13-10(12(19)16(13)11(7)14(20)21)15-9(18)4-8-2-1-3-22-8/h1-3,10,13,17H,4-6H2,(H,15,18)(H,20,21)


name: Hydrastine hydrochloride
cas: 5936-28-7
formula: C21H21NO6.ClH
inchikey: URBFHJWLYXILMP-VOMIJIAVSA-N
norman_susdat_id: NS00082618
smiles: Cl.COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]3N(C)CCc4cc5OCOc5cc34
inchi:
InChI=1/C21H21NO6.ClH/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19;/h4-5,8-9,18-19H,6-7,10H2,1-3H3;1H


name: (Z)-2-(bromomethyl)-4-(4-bromophenoxymethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane
cas: 59363-05-2
dtxsid: DTXSID00974777
formula: C17H14Br2Cl2O3
inchikey: IRAFXGAHTMFJLR-UHFFFAOYSA-N
norman_susdat_id: NS00055962
pubchem_cid: 101024
smiles: ClC1=CC=C(C(Cl)=C1)C2(OCC(O2)COC3=CC=C(Br)C=C3)CBr
inchi:
InChI=1/C17H14Br2Cl2O3/c18-10-17(15-6-3-12(20)7-16(15)21)23-9-14(24-17)8-22-13-4-1-11(19)2-5-13/h1-7,14H,8-10H2


name: 4-[([1,1'-biphenyl]-4-yloxy)methyl]-2-(bromomethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane
cas: 59365-30-9
dtxsid: DTXSID20974779
formula: C23H19BrCl2O3
inchikey: IJFQVWIAHXOHTM-UHFFFAOYSA-N
norman_susdat_id: NS00056071
pubchem_cid: 101025
smiles: ClC1=CC=C(C(Cl)=C1)C2(OCC(O2)COC=3C=CC(=CC3)C=4C=CC=CC4)CBr
inchi:
InChI=1/C23H19BrCl2O3/c24-15-23(21-11-8-18(25)12-22(21)26)28-14-20(29-23)13-27-19-9-6-17(7-10-19)16-4-2-1-3-5-16/h1-12,20H,13-15H2


name: 9-methoxy-1,3-dioxo-1H-xantheno[2,1,9-def]isoquinoline-2(3H)-ethanesulphonate acid
cas: 59373-54-5
formula: C21H15NO7S
inchikey: OLYCZVDYVLJVAE-UHFFFAOYSA-N
norman_susdat_id: NS00088132
smiles: COc1ccc2Oc3ccc4C(=O)N(CCS(=O)(=O)O)C(=O)c5ccc(c2c1)c3c45
inchi:
InChI=1/C21H15NO7S/c1-28-11-2-6-16-15(10-11)12-3-4-13-18-14(5-7-17(29-16)19(12)18)21(24)22(20(13)23)8-9-30(25,26)27/h2-7,10H,8-9H2,1H3,(H,25,26,27)


name: 1,4,5,6,7,7a-hexahydro-1-[4-(2-morpholinoethoxy)phenyl]-2H-indol-2-one monohydrobromide
cas: 59377-74-1
formula: C20H26N2O3.BrH
inchikey: XHALWZJVWJUCNP-UHFFFAOYSA-N
norman_susdat_id: NS00088580
smiles: Br.O=C1C=C2CCCCC2N1c3ccc(OCCN4CCOCC4)cc3
inchi:
InChI=1/C20H26N2O3.BrH/c23-20-15-16-3-1-2-4-19(16)22(20)17-5-7-18(8-6-17)25-14-11-21-9-12-24-13-10-21;/h5-8,15,19H,1-4,9-14H2;1H


name: 1,4,5,6,7,7a-hexahydro-1-[4-[2-morpholinoethoxy]phenyl]-2H-indol-2-one monohydrochloride
cas: 59377-75-2
dtxsid: DTXSID80974790
formula: C20H26N2O3
inchikey: RSNLCCQFXOCUGU-UHFFFAOYSA-N
norman_susdat_id: NS00055570
pubchem_cid: 5743535
smiles: Cl.O=C1C=C2CCCCC2N1C3=CC=C(OCCN4CCOCC4)C=C3
inchi:
InChI=1/C20H26N2O3.ClH/c23-20-15-16-3-1-2-4-19(16)22(20)17-5-7-18(8-6-17)25-14-11-21-9-12-24-13-10-21;/h5-8,15,19H,1-4,9-14H2;1H


cas: 5938-84-1
formula: C31H26N6O8S2
inchikey: CULQWZFBJPNGAO-UHFFFAOYSA-L
norman_susdat_id: NS00046673
pubchem_cid: NA
name:
Disodium 7-[(3-aminobenzoyl)amino]-4-hydroxy-3-[[2-methyl-4-[(2-methyl-4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C31H26N6O8S2.2Na/c1-17-12-23(34-35-27-11-8-24(13-18(27)2)46(40,41)42)7-10-26(17)36-37-29-28(47(43,44)45)16-20-15-22(6-9-25(20)30(29)38)33-31(39)19-4-3-5-21(32)14-19;;/h3-16,38H,32H2,1-2H3,(H,33,39)(H,40,41,42)(H,43,44,45);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(N=NC4=CC=C(C=C4C)S(=O)(=O)[O-])C=C3C)C2O)S(=O)(=O)[O-])C=5C=CC=C(N)C5


cas: 5938-85-2
dtxsid: DTXSID00889498
formula: C29H22N6O8S2
inchikey: QKXHVVHWIWQWCB-UHFFFAOYSA-L
norman_susdat_id: NS00046674
pubchem_cid: NA
name:
Disodium 7-[(4-aminobenzoyl)amino]-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C29H22N6O8S2.2Na/c30-19-3-1-17(2-4-19)29(37)31-23-11-14-25-18(15-23)16-26(45(41,42)43)27(28(25)36)35-34-21-7-5-20(6-8-21)32-33-22-9-12-24(13-10-22)44(38,39)40;;/h1-16,36H,30H2,(H,31,37)(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(N=NC4=CC=C(C=C4)S(=O)(=O)[O-])C=C3)C2O)S(=O)(=O)[O-])C5=CC=C(N)C=C5


name: N-(5-Chloro-2-methoxy-4-nitrophenyl)benzamide
cas: 59385-63-6
chemspiderid: 91281
dtxsid: DTXSID40208109
formula: C14H11Cl1N2O4
inchikey: HGVDYDIWZCHHKB-UHFFFAOYSA-N
norman_susdat_id: NS00034147
pubchem_cid: 101034
smiles: COc1cc(c(Cl)cc1NC(=O)c1ccccc1)[N+](=O)[O-]
inchi:
InChI=1S/C14H11ClN2O4/c1-21-13-8-12(17(19)20)10(15)7-11(13)16-14(18)9-5-3-2-4-6-9/h2-8H,1H3,(H,16,18)


name: 7-Hydroxymethotrexate
cas: 5939-37-7
chebiid: CHEBI:166565
chemspiderid: 4532295
dtxsid: DTXSID70891503
formula: C20H22N8O6
inchikey: HODZDDDNGRLGSI-UHFFFAOYSA-N
norman_susdat_id: NS00014424
pubchem_cid: 5385077
smiles: CN(CC1=Nc2c(N)nc(N)nc2NC1=O)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O
inchi:
InChI=1S/C20H22N8O6/c1-28(8-12-18(32)26-16-14(23-12)15(21)25-20(22)27-16)10-4-2-9(3-5-10)17(31)24-11(19(33)34)6-7-13(29)30/h2-5,11H,6-8H2,1H3,(H,24,31)(H,29,30)(H,33,34)(H5,21,22,25,26,27,32)


name: Maitotoxin
cas: 59392-53-9
dtxsid: DTXSID10880012
formula: C164H256Na2O68S2
inchikey: NWQUHAJRFNRIIU-DVGFTKJRSA-L
norman_susdat_id: NS00075385
inchi:
InChI=1/C164H258O68S2.2Na/c1-24-26-65(2)68(5)41-74(168)117(179)85-33-36-152(11)106(203-85)55-109-162(21,231-152)64-161(20)105(210-109)51-89-83(220-161)28-25-27-82-99(199-89)59-157(16)108(202-82)56-107-153(12,230-157)39-38-151(10)112(211-107)61-158(17)111(224-151)54-101(176)163(22,232-158)103-32-31-84-90(204-103)53-110-156(15,219-84)62-113-150(9,223-110)37-34-102-155(14,225-113)63-114-164(23,227-102)147(192)149-159(18,226-114)58-81(175)134(218-149)133-79(173)47-93-136(216-133)120(182)119(181)92(200-93)44-72(166)43-76(170)131-77(171)46-94-137(214-131)122(184)124(186)143(207-94)145-126(188)125(187)144-146(217-145)128(190)139-97(208-144)50-88-87(206-139)49-96-138(205-88)127(189)141(229-234(196,197)198)95(201-96)45-75(169)118(180)132-78(172)48-98-140(215-132)129(191)148-160(19,221-98)60-100-91(209-148)52-104-154(13,222-100)57-80(174)135-142(212-104)123(185)121(183)130(213-135)71(8)115(177)67(4)29-30-86(228-233(193,194)195)116(178)69(6)42-73(167)70(7)66(3)35-40-165;;/h24-25,28,35,65,67-69,71-149,165-192H,1,7,26-27,29-34,36-64H2,2-6,8-23H3,(H,193,194,195)(H,196,197,198);;/q;2*+1/p-2/b28-25-,66-35+;;/t65-,67+,68+,69+,71+,72+,73+,74+,75-,76+,77+,78+,79+,80+,81+,82+,83-,84+,85-,86-,87-,88+,89+,90-,91-,92-,93-,94-,95-,96+,97-,98+,99-,100+,101+,102+,103-,104+,105-,106-,107+,108-,109+,110+,111-,112-,113+,114+,115+,116+,117-,118+,119-,120+,121+,122+,123-,124+,125+,126+,127+,128+,129-,130-,131-,132-,133+,134+,135+,136+,137+,138+,139-,140+,141-,142-,143+,144-,145+,146+,147-,148+,149+,150-,151+,152+,153-,154-,155-,156-,157+,158+,159-,160-,161+,162-,163+,164+;;/s2

smiles:
[Na+].[Na+].[H][C@@]1(C[C@H](O)C[C@@H](O)[C@]2([H])O[C@@]3([H])[C@H](O)[C@@H](O)[C@@]([H])(O[C@@]3([H])C[C@H]2O)[C@]2([H])O[C@]3([H])[C@H](O)[C@@]4([H])O[C@@]5([H])C[C@@]6([H])O[C@@]([H])(C[C@H](O)[C@@H](O)[C@@]7([H])O[C@@]8([H])[C@H](O)[C@@]9([H])O[C@@]%10([H])C[C@@]%11([H])O[C@@]%12([H])[C@@H](O)[C@@H](O)[C@@]([H])(O[C@]%12([H])[C@H](O)C[C@]%11(C)O[C@]%10([H])C[C@]9(C)O[C@]8([H])C[C@H]7O)[C@H](C)[C@H](O)[C@H](C)CC[C@H](OS([O-])(=O)=O)[C@H](O)[C@H](C)C[C@@H](O)C(=C)C(C)=CCO)[C@H](OS([O-])(=O)=O)[C@H](O)[C@]6([H])O[C@]5([H])C[C@]4([H])O[C@@]3([H])[C@H](O)[C@H]2O)O[C@@]2([H])C[C@@H](O)[C@@]([H])(O[C@@]2([H])[C@H](O)[C@H]1O)[C@]1([H])O[C@]2([H])[C@H](O)[C@]3(C)O[C@]4([H])CC[C@]5(C)O[C@]6([H])C[C@]7([H])O[C@@]([H])(CC[C@@]7([H])O[C@@]6(C)C[C@@]5([H])O[C@@]4(C)C[C@@]3([H])O[C@@]2(C)C[C@H]1O)[C@]1(C)O[C@]2(C)C[C@]3([H])O[C@]4([H])C[C@]5([H])O[C@]6([H])CC=C/[C@]7([H])O[C@]8(C)C[C@]9(C)O[C@]%10(C)CC[C@]([H])(O[C@@]%10([H])C[C@@]9([H])O[C@@]8([H])C[C@@]7([H])O[C@@]6([H])C[C@@]5(C)O[C@@]4(C)CC[C@@]3(C)O[C@@]2([H])C[C@H]1O)[C@@H](O)[C@H](O)C[C@@H](C)[C@@H](C)CC=C


name: PIK-93
cas: 593960-11-3
dtxsid: DTXSID30425868
formula: C14H16ClN3O4S2
inchikey: JFVNFXCESCXMBC-UHFFFAOYSA-N
norman_susdat_id: NS00069303
pubchem_cid: 6852167
smiles: CC(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(=O)(=O)NCCO)c2)s1
inchi:
InChI=1S/C14H16ClN3O4S2/c1-8-13(23-14(17-8)18-9(2)20)10-3-4-11(15)12(7-10)24(21,22)16-5-6-19/h3-4,7,16,19H,5-6H2,1-2H3,(H,17,18,20)


name: Dichlorotriphenylantimony
cas: 594-31-0
formula: C18H15Cl2Sb
inchikey: PDGPVQHGCLPCES-UHFFFAOYSA-L
norman_susdat_id: NS00080261
smiles: Cl[Sb](Cl)(c1ccccc1)(c2ccccc2)c3ccccc3
inchi:
InChI=1/3C6H5.2ClH.Sb/c3*1-2-4-6-5-3-1;;;/h3*1-5H;2*1H;/q;;;;;+2/p-2/rC18H15Cl2Sb/c19-21(20,16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H


name: 2-(Hydroxymethyl)-2-(((1-oxooctyl)oxy)methyl)propane-1,3-diyl dioctanoate
cas: 59400-09-8
chemspiderid: 91285
dtxsid: DTXSID70208132
formula: C29H54O7
inchikey: DXUVYLAXKZHXPW-UHFFFAOYSA-N
norman_susdat_id: NS00034153
pubchem_cid: 101038
smiles: CCCCCCCC(=O)OCC(CO)(COC(=O)CCCCCCC)COC(=O)CCCCCCC
inchi:
InChI=1S/C29H54O7/c1-4-7-10-13-16-19-26(31)34-23-29(22-30,24-35-27(32)20-17-14-11-8-5-2)25-36-28(33)21-18-15-12-9-6-3/h30H,4-25H2,1-3H3


name: 5-oxo-DL-proline, compound with dodecyl DL-valinate (1:1)
cas: 59404-74-9
dtxsid: DTXSID40974817
formula: C17H35NO2
inchikey: AMBDPTFAWXBVRQ-IOIXYPRTSA-N
norman_susdat_id: NS00056006
pubchem_cid: 6453804
smiles: O=C1NC(C(=O)O)CC1.O=C(OCCCCCCCCCCCC)C(N)C(C)C
inchi:
InChI=1/C17H35NO2.C5H7NO3/c1-4-5-6-7-8-9-10-11-12-13-14-20-17(19)16(18)15(2)3;7-4-2-1-3(6-4)5(8)9/h15-16H,4-14,18H2,1-3H3;3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-DL-proline, compound with dodecyl DL-alaninate (1:1)
cas: 59404-75-0
dtxsid: DTXSID00974818
formula: C15H31NO2
inchikey: SUYMVTQKEZOUKS-NFMXPRCASA-N
norman_susdat_id: NS00056866
pubchem_cid: 6453806
smiles: O=C1NC(C(=O)O)CC1.O=C(OCCCCCCCCCCCC)C(N)C
inchi:
InChI=1/C15H31NO2.C5H7NO3/c1-3-4-5-6-7-8-9-10-11-12-13-18-15(17)14(2)16;7-4-2-1-3(6-4)5(8)9/h14H,3-13,16H2,1-2H3;3H,1-2H2,(H,6,7)(H,8,9)


name: 5-oxo-DL-proline, compound with dodecyl 2-methylalaninate (1:1)
cas: 59404-77-2
dtxsid: DTXSID60974819
formula: C16H33NO2
inchikey: GONNPBYFECDJQX-HVDRVSQOSA-N
norman_susdat_id: NS00055573
pubchem_cid: 6453808
smiles: O=C1NC(C(=O)O)CC1.O=C(OCCCCCCCCCCCC)C(N)(C)C
inchi:
InChI=1/C16H33NO2.C5H7NO3/c1-4-5-6-7-8-9-10-11-12-13-14-19-15(18)16(2,3)17;7-4-2-1-3(6-4)5(8)9/h4-14,17H2,1-3H3;3H,1-2H2,(H,6,7)(H,8,9)


cas: 59405-30-0
dtxsid: DTXSID70974820
formula: C24H26N4O9S2
inchikey: DSSGQLRLUSQWRK-UHFFFAOYSA-N
norman_susdat_id: NS00055574
pubchem_cid: 101039
smiles: O=C(OC1CCC(C)CC1)NC2=CC=C(N=NC3=C(N)C=CC4=CC(=CC(O)=C43)S(=O)(=O)O)C(=C2)S(=O)(=O)O
name:
6-amino-4-hydroxy-5-[[4-[[[(4-methylcyclohexyl)oxy]carbonyl]amino]-2-sulphophenyl]azo]naphthalene-2-sulphonic acid

inchi:
InChI=1/C24H26N4O9S2/c1-13-2-6-16(7-3-13)37-24(30)26-15-5-9-19(21(11-15)39(34,35)36)27-28-23-18(25)8-4-14-10-17(38(31,32)33)12-20(29)22(14)23/h4-5,8-13,16,29H,2-3,6-7,25H2,1H3,(H,26,30)(H,31,32,33)(H,34,35,36)


name: N2-(1-oxododecyl)-L-lysine
cas: 59409-41-5
dtxsid: DTXSID50974823
formula: C18H36N2O3
inchikey: PDQICKRFOKDJCH-INIZCTEOSA-N
norman_susdat_id: NS00056007
pubchem_cid: 9927445
smiles: O=C(NC(C(=O)O)CCCCN)CCCCCCCCCCC
inchi:
InChI=1/C18H36N2O3/c1-2-3-4-5-6-7-8-9-10-14-17(21)20-16(18(22)23)13-11-12-15-19/h16H,2-15,19H2,1H3,(H,20,21)(H,22,23)


name: Sodium hydrogen 4-hydroxy-5-(salicylideneamino)naphthalene-2,7-disulphonate
cas: 5941-07-1
formula: C17H13NO8S2
inchikey: VDMRMECRCLGIAD-UHFFFAOYSA-M
norman_susdat_id: NS00047402
pubchem_cid: 94428
smiles: [H+].[Na+].O=S(=O)([O-])C=1C=C(O)C2=C(N=CC=3C=CC=CC3O)C=C(C=C2C1)S(=O)(=O)[O-]
inchi:
InChI=1/C17H13NO8S2.Na.H2/c19-15-4-2-1-3-10(15)9-18-14-7-12(27(21,22)23)5-11-6-13(28(24,25)26)8-16(20)17(11)14;;/h1-9,19-20H,(H,21,22,23)(H,24,25,26);;1H/q;2*+1/p-2


name: (±)-13-ethyl-3-methoxygona-1,3,5(10),8-tetraen-17-one
cas: 5941-92-4
formula: C20H24O2
inchikey: PFKPABPFEUSONI-UHFFFAOYSA-N
norman_susdat_id: NS00046675
pubchem_cid: NA
smiles: O=C1CCC2C3=C(C=4C=CC(OC)=CC4CC3)CCC12CC
inchi:
InChI=1/C20H24O2/c1-3-20-11-10-16-15-7-5-14(22-2)12-13(15)4-6-17(16)18(20)8-9-19(20)21/h5,7,12,18H,3-4,6,8-11H2,1-2H3


name: Dilithium 4,4'-methylenebis[3-hydroxy-2-naphthoate]
cas: 59413-58-0
formula: C23H16O6.2Li
inchikey: WOVQWDBCQLVNRC-UHFFFAOYSA-L
norman_susdat_id: NS00088185
smiles: [Li+].[Li+].Oc1c(Cc2c(O)c(cc3ccccc23)C(=O)[O-])c4ccccc4cc1C(=O)[O-]
inchi:
InChI=1/C23H16O6.2Li/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;;/h1-10,24-25H,11H2,(H,26,27)(H,28,29);;/q;2*+1/p-2


name: Carpipramine
cas: 5942-95-0
chebiid: CHEBI:135729
chemspiderid: 2482
dtxsid: DTXSID40208149
formula: C28H38N4O1
inchikey: NWPJLRSCSQHPJV-UHFFFAOYSA-N
norman_susdat_id: NS00003620
pubchem_cid: 2580
smiles: OC(=N)C1(CCN(CCCN2c3ccccc3CCc3ccccc23)CC1)N1CCCCC1
inchi:
InChI=1S/C28H38N4O/c29-27(33)28(31-18-6-1-7-19-31)15-21-30(22-16-28)17-8-20-32-25-11-4-2-9-23(25)13-14-24-10-3-5-12-26(24)32/h2-5,9-12H,1,6-8,13-22H2,(H2,29,33)


name: 2-[4-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)phenyl]propionic acid
cas: 59430-61-4
dtxsid: DTXSID80974836
formula: C17H13NO4
inchikey: ACRMAHMDLNNSNK-UHFFFAOYSA-N
norman_susdat_id: NS00055610
pubchem_cid: 101056
smiles: O=C(O)C(C1=CC=C(C=C1)N2C(=O)C=3C=CC=CC3C2=O)C
inchi:
InChI=1/C17H13NO4/c1-10(17(21)22)11-6-8-12(9-7-11)18-15(19)13-4-2-3-5-14(13)16(18)20/h2-10H,1H3,(H,21,22)


name: Tris(1-methylheptyl) benzene-1,2,4-tricarboxylate
cas: 59431-98-0
dtxsid: DTXSID30866757
formula: C33H54O6
inchikey: UVCNQUKPQSCICG-UHFFFAOYSA-N
norman_susdat_id: NS00055218
pubchem_cid: 62153
smiles: O=C(OC(C)CCCCCC)C1=CC=C(C(=O)OC(C)CCCCCC)C(=C1)C(=O)OC(C)CCCCCC
inchi:
InChI=1/C33H54O6/c1-7-10-13-16-19-25(4)37-31(34)28-22-23-29(32(35)38-26(5)20-17-14-11-8-2)30(24-28)33(36)39-27(6)21-18-15-12-9-3/h22-27H,7-21H2,1-6H3


name: 1-(1-oxohexadecyl)-L-proline
cas: 59441-32-6
chebiid: CHEBI:165557
dtxsid: DTXSID50974848
formula: C21H39NO3
inchikey: XOAIXMQPJQVGRV-IBGZPJMESA-N
norman_susdat_id: NS00056513
pubchem_cid: 15384561
smiles: O=C(N1CCCC1C(=O)O)CCCCCCCCCCCCCCC
inchi:
InChI=1/C21H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20(23)22-18-15-16-19(22)21(24)25/h19H,2-18H2,1H3,(H,24,25)


name: Phosphoric acid, P,P'-[(1-methylethylidene)di-4,1-phenylene] P,P,P',P'-tetraphenyl ester
cas: 5945-33-5
chemspiderid: 8050514
dtxsid: DTXSID8052720
formula: C39H34O8P2
inchikey: BQPNUOYXSVUVMY-UHFFFAOYSA-N
norman_susdat_id: NS00003720
pubchem_cid: 9874825
smiles: CC(C)(c1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1)c1ccc(OP(=O)(Oc2ccccc2)Oc2ccccc2)cc1
inchi:
InChI=1S/C39H34O8P2/c1-39(2,31-23-27-37(28-24-31)46-48(40,42-33-15-7-3-8-16-33)43-34-17-9-4-10-18-34)32-25-29-38(30-26-32)47-49(41,44-35-19-11-5-12-20-35)45-36-21-13-6-14-22-36/h3-30H,1-2H3


name: Nimbin
cas: 5945-86-8
chebiid: CHEBI:67304
chemspiderid: 97160
dtxsid: DTXSID80208168
formula: C30H36O9
inchikey: NHOIBRJOQAYBJT-IMGVWCFESA-N
norman_susdat_id: NS00034172
pubchem_cid: 108058
inchi:
InChI=1S/C30H36O9/c1-15-18(17-9-11-37-14-17)12-19-23(15)30(5)20(13-22(33)35-6)29(4)21(32)8-10-28(3,27(34)36-7)25(29)24(26(30)39-19)38-16(2)31/h8-11,14,18-20,24-26H,12-13H2,1-7H3/t18-,19-,20-,24-,25+,26-,28-,29+,30-/m1/s1

smiles:
COC(=O)C[C@H]1[C@@]2(C)[C@H](O[C@@H]3C[C@H](C(C)=C23)C2=COC=C2)[C@H](OC(C)=O)[C@H]2[C@@](C)(C=CC(=O)[C@]12C)C(=O)OC


name: Sodium 9-methoxy-1,3-dioxo-1H-xantheno[2,1,9-def]isoquinoline-2(3H)-ethanesulphonate
cas: 59454-19-2
dtxsid: DTXSID40208169
formula: C21H15NO7S
inchikey: OUOSNHUBRUYKMF-UHFFFAOYSA-M
norman_susdat_id: NS00055612
pubchem_cid: 56841957
smiles: [Na+].O=C1C2=CC=C3OC4=CC=C(OC)C=C4C=5C=CC(C(=O)N1CCS(=O)(=O)[O-])=C2C35
inchi:
InChI=1/C21H15NO7S.Na/c1-28-11-2-6-16-15(10-11)12-3-4-13-18-14(5-7-17(29-16)19(12)18)21(24)22(20(13)23)8-9-30(25,26)27;/h2-7,10H,8-9H2,1H3,(H,25,26,27);/q;+1/p-1


name: [1,1'-Biphenyl]-4-carbonitrile, 4'-decyl-
cas: 59454-35-2
chemspiderid: 91306
dtxsid: DTXSID5069332
formula: C23H29N1
inchikey: GLGZJMAYDWXROS-UHFFFAOYSA-N
norman_susdat_id: NS00034169
pubchem_cid: 101061
smiles: CCCCCCCCCCc1ccc(cc1)c1ccc(cc1)C#N
inchi:
InChI=1S/C23H29N/c1-2-3-4-5-6-7-8-9-10-20-11-15-22(16-12-20)23-17-13-21(19-24)14-18-23/h11-18H,2-10H2,1H3


name: Nikkomycins
cas: 59456-70-1
chebiid: CHEBI:623918
chemspiderid: 401991
dtxsid: DTXSID5058436
formula: C20H25N5O10
inchikey: WWJFFVUVFNBJTN-VHDFTHOZSA-N
norman_susdat_id: NS00011701
pubchem_cid: 102515122
inchi:
InChI=1S/C20H25N5O10/c1-7(13(28)9-3-2-8(26)6-22-9)11(21)17(31)24-12(19(32)33)16-14(29)15(30)18(35-16)25-5-4-10(27)23-20(25)34/h2-7,11-16,18,26,28-30H,21H2,1H3,(H,24,31)(H,32,33)(H,23,27,34)/t7-,11-,12-,13-,14-,15+,16+,18+/m0/s1

smiles:
C[C@H]([C@@H](c1ccc(cn1)O)O)[C@@H](C(=O)N[C@@H]([C@@H]2[C@H]([C@H]([C@@H](O2)n3ccc(=O)[nH]c3=O)O)O)C(=O)O)N


name: Midazolam
cas: 59467-70-8
chebiid: CHEBI:6931
chemspiderid: 4047
dtxsid: DTXSID5023320
formula: C18H13Cl1F1N3
inchikey: DDLIGBOFAVUZHB-UHFFFAOYSA-N
norman_susdat_id: NS00000476
pubchem_cid: 4192
smiles: CC1=NC=C2N1C3=C(C=C(C=C3)Cl)C(=NC2)C4=CC=CC=C4F
inchi:
InChI=1S/C18H13ClFN3/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13/h2-9H,10H2,1H3


name: 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine monomaleate
cas: 59467-94-6
formula: C18H13ClFN3.C4H4O4
inchikey: XYGVIBXOJOOCFR-BTJKTKAUSA-N
norman_susdat_id: NS00088390
smiles: Cc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4n12.OC(=O)\C=C/C(=O)O
inchi:
InChI=1/C18H13ClFN3.C4H4O4/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13;5-3(6)1-2-4(7)8/h2-9H,10H2,1H3;1-2H,(H,5,6)(H,7,8)


name: 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine monohydrochloride
cas: 59467-96-8
chebiid: CHEBI:6932
formula: C18H13ClFN3.ClH
inchikey: PLYSCVSCYOQVRP-UHFFFAOYSA-N
norman_susdat_id: NS00088000
smiles: Cl.Cc1ncc2CN=C(c3ccccc3F)c4cc(Cl)ccc4n12
inchi:
InChI=1/C18H13ClFN3.ClH/c1-11-21-9-13-10-22-18(14-4-2-3-5-16(14)20)15-8-12(19)6-7-17(15)23(11)13;/h2-9H,10H2,1H3;1H


name: 8-chloro-6-(o-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylic acid
cas: 59468-44-9
dtxsid: DTXSID90208174
formula: C19H13ClFN3O2
inchikey: WZNYKINYEPCGAZ-UHFFFAOYSA-N
norman_susdat_id: NS00055680
pubchem_cid: 101062
smiles: O=C(O)C=1N=C(N2C=3C=CC(Cl)=CC3C(=NCC12)C=4C=CC=CC4F)C
inchi:
InChI=1/C19H13ClFN3O2/c1-10-23-18(19(25)26)16-9-22-17(12-4-2-3-5-14(12)21)13-8-11(20)6-7-15(13)24(10)16/h2-8H,9H2,1H3,(H,25,26)


name: 1-Hydroxymethylmidazolam
cas: 59468-90-5
chebiid: CHEBI:145330
chemspiderid: 97043
dtxsid: DTXSID50208175
formula: C18H13Cl1F1N3O1
inchikey: QHSMEGADRFZVNE-UHFFFAOYSA-N
norman_susdat_id: NS00010450
pubchem_cid: 107917
smiles: c1ccc(c(c1)C2=NCc3cnc(n3-c4c2cc(cc4)Cl)CO)F
inchi:
InChI=1S/C18H13ClFN3O/c19-11-5-6-16-14(7-11)18(13-3-1-2-4-15(13)20)22-9-12-8-21-17(10-24)23(12)16/h1-8,24H,9-10H2


name: (1S,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-6-hydroxy-1,4a-dimethylphenanthrene-1-carboxylic acid
cas: 5947-49-9
chebiid: CHEBI:8277
dtxsid: DTXSID30878214
formula: C17H22O3
inchikey: VJILEYKNALCDDV-OIISXLGYSA-N
norman_susdat_id: NS00047429
pubchem_cid: 93017
smiles: O=C(O)C1(C)CCCC2(C3=CC(O)=CC=C3CCC12)C
inchi:
InChI=1/C17H22O3/c1-16-8-3-9-17(2,15(19)20)14(16)7-5-11-4-6-12(18)10-13(11)16/h4,6,10,14,18H,3,5,7-9H2,1-2H3,(H,19,20)


cas: 59476-65-2
formula: C23H36O5
inchikey: QXXNWYMEVJFAQU-UHFFFAOYSA-N
norman_susdat_id: NS00055681
pubchem_cid: NA
smiles: O=C(O)CCCC=CCC1C(O)CC(O)C1C#CC(O)CCC2CCCCC2
name:
[1R-[1a(Z),2ß(S*),3a,5a]]-7-[2-(5-cyclohexyl-3-hydroxypent-1-ynyl)-3,5-dihydroxycyclopentyl]hept-5-enoic acid

inchi:
InChI=1/C23H36O5/c24-18(13-12-17-8-4-3-5-9-17)14-15-20-19(21(25)16-22(20)26)10-6-1-2-7-11-23(27)28/h1,6,17-22,24-26H,2-5,7-13,16H2,(H,27,28)


cas: 594864-11-6
dtxsid: DTXSID00882904
norman_susdat_id: NS00108915
name:
2-Propenoic acid, butyl ester, polymer with 2[butyl[(heptadecafluorooctyl) sulfonyl]amino]ethyl 2-propenoate and 2-methylpropyl 2-propenoate


name: C.I. Pigment Red 187
cas: 59487-23-9
chemspiderid: 4805149
dtxsid: DTXSID4041733
formula: C34H28Cl1N5O7
inchikey: VITGLXQQMBOIOD-QSWGGJQDSA-N
norman_susdat_id: NS00001198
pubchem_cid: 6093380
smiles: COc1ccc(cc1NN=C1C(=O)C(=Cc2ccccc12)C(=O)Nc1cc(Cl)c(OC)cc1OC)C(=O)Nc1ccc(cc1)C(N)=O
inchi:
InChI=1S/C34H28ClN5O7/c1-45-27-13-10-20(33(43)37-21-11-8-18(9-12-21)32(36)42)15-26(27)39-40-30-22-7-5-4-6-19(22)14-23(31(30)41)34(44)38-25-16-24(35)28(46-2)17-29(25)47-3/h4-17,39H,1-3H3,(H2,36,42)(H,37,43)(H,38,44)/b40-30+


name: Cinchophen sodium
cas: 5949-18-8
formula: C16H11NO2.Na
inchikey: ZSOINCKGNIMAEG-UHFFFAOYSA-N
norman_susdat_id: NS00083003
smiles: [Na+].OC(=O)c1cc(nc2ccccc12)c3ccccc3
inchi:
InChI=1/C16H11NO2.Na/c18-16(19)13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;/h1-10H,(H,18,19);/q;+1


cas: 5949-36-0
formula: C20H21NO4.C12H12N2O3
inchikey: YOSRVRJJMJSVGY-UHFFFAOYSA-N
norman_susdat_id: NS00082178
smiles: CCC1(C(=O)NC(=O)NC1=O)c2ccccc2.COc3ccc(Cc4nccc5cc(OC)c(OC)cc45)cc3OC
name:
5-ethyl-5-phenylbarbituric acid, compound with 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline (1:1)

inchi:
InChI=1/C20H21NO4.C12H12N2O3/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h5-8,10-12H,9H2,1-4H3;3-7H,2H2,1H3,(H2,13,14,15,16,17)


name: Testosterone undecanoate
cas: 5949-44-0
chebiid: CHEBI:135741
chemspiderid: 58664
formula: C30H48O3
inchikey: UDSFVOAUHKGBEK-CNQKSJKFSA-N
norman_susdat_id: NS00015425
pubchem_cid: 65157
smiles: CCCCCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
inchi:
InChI=1S/C30H48O3/c1-4-5-6-7-8-9-10-11-12-28(32)33-27-16-15-25-24-14-13-22-21-23(31)17-19-29(22,2)26(24)18-20-30(25,27)3/h21,24-27H,4-20H2,1-3H3/t24-,25-,26-,27-,29-,30-/m0/s1


name: 3-[[[4-[(Heptadecafluorononenyl)oxy]phenyl]sulfonyl]amino]-N,N,N-trimethyl-1-propanaminium, iodide
cas: 59493-70-8
chemspiderid: NA
dtxsid: DTXSID10881362
formula: C21H20F17N2O3S1
inchikey: QTARAUXTILIVID-UHFFFAOYSA-M
norman_susdat_id: NS00019150
pubchem_cid: NA
inchi:
InChI=1S/C21H20F17N2O3S/c1-40(2,3)10-4-9-39-44(41,42)12-7-5-11(6-8-12)43-14(23)13(22)15(24,25)16(26,27)17(28,29)18(30,31)19(32,33)20(34,35)21(36,37)38/h5-8,39H,4,9-10H2,1-3H3/q+1/b14-13+

smiles:
[I-].C[N+](C)(C)CCCNS(=O)(=O)C1=CC=C(OC(F)=C(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: 1-Propanaminium, 3-[[4-[(heptadecafluorononyl)oxy]benzoyl]amino]-N,N,N-trimethyl- (9CI)
cas: 59493-71-9
dtxsid: DTXSID70897580
formula: C22H22F17N2O2
inchikey: LENDGRWTJNFJQE-UHFFFAOYSA-O
norman_susdat_id: NS00111535
smiles: C[N+](C)(C)CCCNC(=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)CC(F)(F)F)C=C1
inchi:
InChI=1S/C22H21F17N2O2/c1-41(2,3)10-4-9-40-14(42)12-5-7-13(8-6-12)43-22(38,39)21(36,37)20(34,35)19(32,33)18(30,31)17(28,29)15(23,24)11-16(25,26)27/h5-8H,4,9-11H2,1-3H3/p+1


name: 1-(3-(4-((Heptadecafluorononyl)oxy)-benzamido)propyl)-N,N,N-trimethylammonium iodide
cas: 59493-72-0
chemspiderid: 35147840
dtxsid: DTXSID10880496
formula: C22H20F19N2O2
inchikey: FOTMZACPROQVJX-UHFFFAOYSA-N
norman_susdat_id: NS00019151
pubchem_cid: NA
inchi:
InChI=1S/C22H19F19N2O2/c1-43(2,3)10-4-9-42-13(44)11-5-7-12(8-6-11)45-22(40,41)20(35,36)18(31,32)16(27,28)14(23,24)15(25,26)17(29,30)19(33,34)21(37,38)39/h5-8H,4,9-10H2,1-3H3/p+1

smiles:
[I-].C[N+](C)(C)CCCNC(=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)C(F)(F)F)C=C1


name: p-((Undecafluorohexenyl)oxy)benzenesulphonyl chloride
cas: 59493-82-2
chemspiderid: 4896303
dtxsid: DTXSID70880497
formula: C12H4Cl1F11O3S1
inchikey: JHPOMBWYTNUPKL-UHFFFAOYSA-N
norman_susdat_id: NS00019152
pubchem_cid: 3017140
smiles: FC(OC1=CC=C(C=C1)S(Cl)(=O)=O)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H4ClF11O3S/c13-28(25,26)6-3-1-5(2-4-6)27-8(15)7(14)9(16,17)10(18,19)11(20,21)12(22,23)24/h1-4H/b8-7-


name: Sodium 4-perfluorohexenyloxybenzenesulfonate
cas: 59493-84-4
chemspiderid: NA
dtxsid: DTXSID90880515
formula: C12H5F11O4S1
inchikey: NGRPXRLJJPIWEW-UHFFFAOYSA-M
norman_susdat_id: NS00019153
pubchem_cid: 92004832
smiles: [Na+].[O-]S(=O)(=O)C1=CC=C(OC(F)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1
inchi:
InChI=1S/C12H5F11O4S/c13-7(9(15,16)10(17,18)11(19,20)12(21,22)23)8(14)27-5-1-3-6(4-2-5)28(24,25)26/h1-4H,(H,24,25,26)/b8-7+


name: Calycanthine
cas: 595-05-1
chebiid: CHEBI:3333
dtxsid: DTXSID10974900
formula: C22H26N4
inchikey: XSYCDVWYEVUDKQ-GXRSIYKFSA-N
norman_susdat_id: NS00042766
pubchem_cid: 5392245
smiles: C=1C=CC2=C(C1)NC3N(C)CCC24C5NC=6C=CC=CC6C34CCN5C
inchi:
InChI=1/C22H26N4/c1-25-13-11-22-16-8-4-5-9-17(16)23-19(25)21(22)12-14-26(2)20(22)24-18-10-6-3-7-15(18)21/h3-10,19-20,23-24H,11-14H2,1-2H3


name: 14-a,17-a,21-trihydroxypregn-4-ene-3,20-dione
cas: 595-18-6
formula: C21H30O5
inchikey: NBOPGWCQYLBUPH-FHBGEGHHSA-N
norman_susdat_id: NS00043178
pubchem_cid: 101785
smiles: O=C1C=C2CCC3C(CCC4(C)C(O)(C(=O)CO)CCC34O)C2(C)CC1
inchi:
InChI=1/C21H30O5/c1-18-7-5-14(23)11-13(18)3-4-16-15(18)6-8-19(2)20(16,25)9-10-21(19,26)17(24)12-22/h11,15-16,22,25-26H,3-10,12H2,1-2H3


name: (3ß,5ß,16ß)-3-[(6-deoxy-3-O-methyl-D-galactopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide
cas: 595-21-1
dtxsid: DTXSID90974903
formula: C30H46O9
inchikey: CPFNIKYEDJFRAT-VWPHWFBBSA-N
norman_susdat_id: NS00043728
pubchem_cid: 20846200
smiles: O=C1OCC(=C1)C2C(O)CC3(O)C4CCC5CC(OC6OC(C)C(O)C(OC)C6O)CCC5(C)C4CCC23C
inchi:
InChI=1/C30H46O9/c1-15-24(33)26(36-4)25(34)27(38-15)39-18-7-9-28(2)17(12-18)5-6-20-19(28)8-10-29(3)23(16-11-22(32)37-14-16)21(31)13-30(20,29)35/h11,15,17-21,23-27,31,33-35H,5-10,12-14H2,1-4H3


name: Megestrol acetate
cas: 595-33-5
chebiid: CHEBI:6723
chemspiderid: 11192
dtxsid: DTXSID9040683
formula: C24H32O4
inchikey: RQZAXGRLVPAYTJ-GQFGMJRRSA-N
norman_susdat_id: NS00009122
pubchem_cid: 11683
smiles: CC(=O)O[C@@]1(CC[C@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)C(C)=O
inchi:
InChI=1S/C24H32O4/c1-14-12-18-19(22(4)9-6-17(27)13-21(14)22)7-10-23(5)20(18)8-11-24(23,15(2)25)28-16(3)26/h12-13,18-20H,6-11H2,1-5H3/t18-,19+,20+,22-,23+,24+/m1/s1


name: Algestone
cas: 595-77-7
chebiid: CHEBI:763
chemspiderid: 11196
dtxsid: DTXSID40208200
formula: C21H30O4
inchikey: CXDWHYOBSJTRJU-SRWWVFQWSA-N
norman_susdat_id: NS00010322
pubchem_cid: 11687
smiles: CC(=O)[C@]1([C@@H](C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C)O)O
inchi:
InChI=1S/C21H30O4/c1-12(22)21(25)18(24)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18,24-25H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1


name: Tetraphenyllead
cas: 595-89-1
chebiid: CHEBI:30184
formula: C24H20Pb
inchikey: WBJSMHDYLOJVKC-UHFFFAOYSA-N
norman_susdat_id: NS00080282
smiles: c1ccc(cc1)[Pb](c2ccccc2)(c3ccccc3)c4ccccc4
inchi:
InChI=1/4C6H5.Pb/c4*1-2-4-6-5-3-1;/h4*1-5H;/rC24H20Pb/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H


name: Tetraphenyltin
cas: 595-90-4
dtxsid: DTXSID9022071
formula: C24H20Sn
inchikey: CRHIAMBJMSSNNM-UHFFFAOYSA-N
norman_susdat_id: NS00043261
pubchem_cid: NA
smiles: C=1C=CC(=CC1)[Sn](C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/4C6H5.Sn/c4*1-2-4-6-5-3-1;/h4*1-5H;/rC24H20Sn/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H


name: Triphenylacetic acid
cas: 595-91-5
chemspiderid: 5414371
dtxsid: DTXSID80208204
formula: C20H16O2
inchikey: DCYGAPKNVCQNOE-UHFFFAOYSA-N
norman_susdat_id: NS00034193
pubchem_cid: 68992
smiles: OC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C20H16O2/c21-19(22)20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H,(H,21,22)


name: Methyl Aziridine-2-carboxylate
cas: 5950-34-5
chebiid: CHEBI:77940
chemspiderid: 66087
dtxsid: DTXSID70336606
formula: C48H84O14
inchikey: WWDHGOLBPBWCNJ-GXXSWWTOSA-N
norman_susdat_id: NS00011832
pubchem_cid: 73359
inchi:
InChI=1S/C48H84O14/c1-13-38-43(10,53)18-17-39(58-38)44(11)23-30(7)48(56,62-44)45(12)19-16-35(59-45)41(50)47(55)29(6)21-26(3)37(61-47)24-46(54)28(5)14-15-34(60-46)31(8)33(49)22-36-25(2)20-27(4)40(57-36)32(9)42(51)52/h25-41,49-50,53-56H,13-24H2,1-12H3,(H,51,52)/t25-,26+,27+,28+,29-,30-,31+,32-,33-,34-,35+,36+,37-,38+,39-,40+,41-,43-,44+,45+,46-,47-,48-/m1/s1

smiles:
CC[C@H]1[C@](CC[C@@H](O1)[C@@]2(C[C@H]([C@@](O2)([C@@]3(CC[C@H](O3)[C@H]([C@]4([C@@H](C[C@@H]([C@H](O4)C[C@@]5([C@H](CC[C@@H](O5)[C@@H](C)[C@@H](C[C@H]6[C@@H](C[C@@H]([C@H](O6)[C@@H](C)C(=O)O)C)C)O)C)O)C)C)O)O)C)O)C)C)(C)O


name: 2,2',3,3,3',3'-hexahydroxy-2,2'-bisindan-1,1'-dione
cas: 5950-69-6
dtxsid: DTXSID20884203
formula: C18H14O8
inchikey: QHVADKNWNMILPQ-UHFFFAOYSA-N
norman_susdat_id: NS00047443
pubchem_cid: 22232
smiles: O=C1C=2C=CC=CC2C(O)(O)C1(O)C3(O)C(=O)C=4C=CC=CC4C3(O)O
inchi:
InChI=1/C18H14O8/c19-13-9-5-1-3-7-11(9)17(23,24)15(13,21)16(22)14(20)10-6-2-4-8-12(10)18(16,25)26/h1-8,21-26H


name: Benzyl(hexadecyl)dimethylammonium bromide
cas: 595-07-3
formula: C25H46N.Br
inchikey: DLNWMWYCSOQYSQ-UHFFFAOYSA-M
norman_susdat_id: NS00083108
smiles: [Br-].CCCCCCCCCCCCCCCC[N+](C)(C)Cc1ccccc1
inchi:
InChI=1/C25H46N.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23-26(2,3)24-25-21-18-17-19-22-25;/h17-19,21-22H,4-16,20,23-24H2,1-3H3;1H/q+1;/p-1


name: Androst-5-ene-(3ß,17ß)-diol 3-acetate 17-benzoate
cas: 5953-63-9
dtxsid: DTXSID00974939
formula: C28H36O4
inchikey: JVRUDYNTKOCRNP-UHFFFAOYSA-N
norman_susdat_id: NS00046729
pubchem_cid: 288166
smiles: O=C(OC1CCC2C3CC=C4CC(OC(=O)C)CCC4(C)C3CCC12C)C=5C=CC=CC5
inchi:
InChI=1/C28H36O4/c1-18(29)31-21-13-15-27(2)20(17-21)9-10-22-23-11-12-25(28(23,3)16-14-24(22)27)32-26(30)19-7-5-4-6-8-19/h4-9,21-25H,10-17H2,1-3H3


cas: 59535-09-0
formula: C11H23NO2
norman_susdat_id: NS00101284
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with 4-hydroxy-2,2,6,6-tetramethyl-1-piperidineethanol (2:1)


name: 4-((Heptadecafluorononenyl)oxy)benzenesulphonyl chloride
cas: 59536-15-1
chemspiderid: 4896304
dtxsid: DTXSID90880510
formula: C15H4Cl1F17O3S1
inchikey: PPJLYJGIFDYVNT-UHFFFAOYSA-N
norman_susdat_id: NS00019154
pubchem_cid: 3017142
smiles: FC(OC1=CC=C(C=C1)S(Cl)(=O)=O)=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C15H4ClF17O3S/c16-37(34,35)6-3-1-5(2-4-6)36-8(18)7(17)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)15(31,32)33/h1-4H/b8-7-


name: Sodium 4-perfluorononyloxybenzenesulphonate
cas: 59536-17-3
chemspiderid: 4956173
dtxsid: DTXSID20208223
formula: C15H5F19O4S1
inchikey: WEKFOCTWTWPVEG-UHFFFAOYSA-M
norman_susdat_id: NS00019155
pubchem_cid: 23674883
smiles: [Na+].[O-]S(=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)C(F)(F)F)C=C1
inchi:
InChI=1S/C15H5F19O4S/c16-7(17,8(18,19)10(22,23)12(26,27)14(30,31)32)9(20,21)11(24,25)13(28,29)15(33,34)38-5-1-3-6(4-2-5)39(35,36)37/h1-4H,(H,35,36,37)


name: Polybrominated biphenyls (PBB)
cas: 59536-65-1
dtxsid: DTXSID5021174
norman_susdat_id: NS00075456
smiles:
[*]C1=C([*])C([*])=C(C([*])=C1[*])C1=C([*])C([*])=C([*])C([*])=C1[*] |$_R1;;;_R1;;_R1;;;_R1;;_R1;;;_R1;;_R1;;_R1;;_R1;;_R1$,c:1,5,8,12,20,t:16,RG:_R1={Br* |$;_AP1$,lp:0:3|},LOG={_R1:;H;>0}|


name: Chloro-m-tolylmercury
cas: 5955-19-1
formula: C7H7ClHg
inchikey: JYXGTTLIHJHMIQ-UHFFFAOYSA-M
norman_susdat_id: NS00082675
smiles: Cc1cccc([Hg]Cl)c1
inchi:
InChI=1/C7H7.ClH.Hg/c1-7-5-3-2-4-6-7;;/h2-3,5-6H,1H3;1H;/q;;+1/p-1/rC7H7ClHg/c1-6-3-2-4-7(5-6)9-8/h2-5H,1H3


name: 6H-DIBENZO[B,D]PYRAN-1-OL, 6A,7,10,10A-TETRAHYDR
cas: 5957-75-5
chemspiderid: 553592
dtxsid: DTXSID20878586
formula: C21H30O2
inchikey: HCAWPGARWVBULJ-UHFFFAOYSA-N
norman_susdat_id: NS00017747
pubchem_cid: 2977
smiles: CCCCCC1=CC2=C(C3CC(=CCC3C(O2)(C)C)C)C(=C1)O
inchi:
InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3


cas: 59571-08-3
formula: C24H40O8Sn
inchikey: UDTOFZLPKAWQOU-VGKOASNMSA-L
norman_susdat_id: NS00055280
pubchem_cid: 16684083
smiles: O=C(OCC(C)C)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCC(C)C)(CCCC)CCCC
name:
Isobutyl (Z,Z)-10,10-dibutyl-2-methyl-5,8,12-trioxo-4,9,11-trioxa-10-stannapentadeca-6,13-dien-15-oate

inchi:
InChI=1/2C8H12O4.2C4H9.Sn/c2*1-6(2)5-12-8(11)4-3-7(9)10;2*1-3-4-2;/h2*3-4,6H,5H2,1-2H3,(H,9,10);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC24H40O8Sn/c1-7-9-15-33(16-10-8-2,31-23(27)13-11-21(25)29-17-19(3)4)32-24(28)14-12-22(26)30-18-20(5)6/h11-14,19-20H,7-10,15-18H2,1-6H3


cas: 59572-08-6
formula: C25H24N4O6
inchikey: FFGUZBXMSRYUGW-UHFFFAOYSA-N
norman_susdat_id: NS00055795
pubchem_cid: NA
smiles: N#CC=1C(=O)N(C(O)=C(N=NC2=CC=CC(OC(=O)OCC=3C=CC=CC3)=C2)C1C)CCCOC
name:
Benzyl 3-[[5-cyano-1,6-dihydro-2-hydroxy-1-(3-methoxypropyl)-4-methyl-6-oxo-3-pyridyl]azo]phenyl carbonate

inchi:
InChI=1/C25H24N4O6/c1-17-21(15-26)23(30)29(12-7-13-33-2)24(31)22(17)28-27-19-10-6-11-20(14-19)35-25(32)34-16-18-8-4-3-5-9-18/h3-6,8-11,14,31H,7,12-13,16H2,1-2H3


cas: 59583-77-6
chemspiderid: 91328
dtxsid: DTXSID0069337
formula: C24H24Cl2N4O2
inchikey: YCNGUBLHXKRMKK-UHFFFAOYSA-N
norman_susdat_id: NS00034188
pubchem_cid: 101085
smiles: CCCCN(CCOC(=O)Nc1cc(Cl)c(Cl)cc1)c1ccc(C=C(C#N)C#N)c(C)c1
name:
Carbamic acid, (3,4-dichlorophenyl)-, 2-[butyl[4-(2,2-dicyanoethenyl)-3-methylphenyl]amino]ethyl ester

inchi:
InChI=1S/C24H24Cl2N4O2/c1-3-4-9-30(21-7-5-19(17(2)12-21)13-18(15-27)16-28)10-11-32-24(31)29-20-6-8-22(25)23(26)14-20/h5-8,12-14H,3-4,9-11H2,1-2H3,(H,29,31)


name: Sodium 5-ethyl-5,8-dihydro-8-oxo-1,3-dioxolo[4,5-g]quinoline-7-carboxylate
cas: 59587-08-5
formula: C13H11NO5.Na
inchikey: WANXPWCBQXXPFK-UHFFFAOYSA-M
norman_susdat_id: NS00087797
smiles: [Na+].CCN1C=C(C(=O)[O-])C(=O)c2cc3OCOc3cc12
inchi:
InChI=1/C13H11NO5.Na/c1-2-14-5-8(13(16)17)12(15)7-3-10-11(4-9(7)14)19-6-18-10;/h3-5H,2,6H2,1H3,(H,16,17);/q;+1/p-1


name: Potassium 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctanesulphonate
cas: 59587-38-1
formula: C8H5F13O3S.K
inchikey: DFQKESLULXNZLL-UHFFFAOYSA-M
norman_susdat_id: NS00088426
smiles: [K+].[O-]S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C8H5F13O3S.K/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;/h1-2H2,(H,22,23,24);/q;+1/p-1


name: 6:2 Fluorotelomer sulphonate ammonium
cas: 59587-39-2
dtxsid: DTXSID10880512
formula: C8H8F13NO3S
inchikey: NMWHJIDTWMZRAO-UHFFFAOYSA-N
norman_susdat_id: NS00109215
smiles: [NH4+].[O-]S(=O)(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C8H5F13O3S.H3N/c9-3(10,1-2-25(22,23)24)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21;/h1-2H2,(H,22,23,24);1H3


name: Ethyl 1-amino-9,10-dihydro-9,10-dioxoanthracene-2-carboxylate
cas: 5959-01-3
dtxsid: DTXSID70974981
formula: C17H13NO4
inchikey: BEJYYZULZYIARA-UHFFFAOYSA-N
norman_susdat_id: NS00047453
pubchem_cid: 80059
smiles: O=C(OCC)C1=CC=C2C(=O)C=3C=CC=CC3C(=O)C2=C1N
inchi:
InChI=1/C17H13NO4/c1-2-22-17(21)12-8-7-11-13(14(12)18)16(20)10-6-4-3-5-9(10)15(11)19/h3-8H,2,18H2,1H3


name: Sodium 4-amino-3-hydroxynaphthalene-1-sulphonate
cas: 5959-58-0
formula: C10H9NO4S.Na
inchikey: PIROYXPDJRYHBP-UHFFFAOYSA-M
norman_susdat_id: NS00082179
smiles: [Na+].Nc1c(O)cc(c2ccccc12)S(=O)(=O)[O-]
inchi:
InChI=1/C10H9NO4S.Na/c11-10-7-4-2-1-3-6(7)9(5-8(10)12)16(13,14)15;/h1-5,12H,11H2,(H,13,14,15);/q;+1/p-1


name: 1,4-Anhydro-6-O-dodecanoyl-D-glucitol
cas: 5959-89-7
chemspiderid: 9221407
dtxsid: DTXSID9027609
formula: C25H30Cl2N4O2S1
inchikey: LWZFANDGMFTDAV-URHIDPGUSA-N
norman_susdat_id: NS00034194
pubchem_cid: 22833303
smiles: Cc1cccc(C)c1NC(=O)N1CCC2(CC1)NC(CS2)C(=O)NCCc1ccc(Cl)cc1Cl
inchi:
InChI=1S/C25H30Cl2N4O2S/c1-16-4-3-5-17(2)22(16)29-24(33)31-12-9-25(10-13-31)30-21(15-34-25)23(32)28-11-8-18-6-7-19(26)14-20(18)27/h3-7,14,21,30H,8-13,15H2,1-2H3,(H,28,32)(H,29,33)/t21-/m1/s1


name: Apppa
cas: 5959-90-0
chebiid: CHEBI:27775
dtxsid: DTXSID50274294
formula: C20H27N10O16P3
inchikey: QCICUPZZLIQAPA-XPWFQUROSA-N
norman_susdat_id: NS00070415
pubchem_cid: 165381
inchi:
InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-47(35,36)45-49(39,40)46-48(37,38)42-2-8-12(32)14(34)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1

smiles:
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO[P@@](=O)(O)OP(=O)(O)O[P@](=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O


name: 4-[(4-methoxyphenyl)amino]benzenediazonium tetrachlorozincate (2:1)
cas: 59597-61-4
formula: C13H12N3O.1/2Cl4Zn
inchikey: JUCAYNIPPQKYEA-UHFFFAOYSA-J
norman_susdat_id: NS00088067
smiles: COc1ccc(Nc2ccc(cc2)[N+]#N)cc1.COc3ccc(Nc4ccc(cc4)[N+]#N)cc3.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C13H12N3O.4ClH.Zn/c2*1-17-13-8-6-11(7-9-13)15-10-2-4-12(16-14)5-3-10;;;;;/h2*2-9,15H,1H3;4*1H;/q2*+1;;;;;+2/p-4/r2C13H12N3O.Cl4Zn/c2*1-17-13-8-6-11(7-9-13)15-10-2-4-12(16-14)5-3-10;1-5(2,3)4/h2*2-9,15H,1H3;/q2*+1;-2


name: 2-(2-(2-(Tetradecyloxy)ethoxy)ethoxy)ethyl myristate
cas: 59599-55-2
chemspiderid: 84696
dtxsid: DTXSID10208272
formula: C34H68O5
inchikey: NNSTUHMKYNCMHO-UHFFFAOYSA-N
norman_susdat_id: NS00034195
pubchem_cid: 101090
smiles: CCCCCCCCCCCCCCOCCOCCOCCOC(=O)CCCCCCCCCCCCC
inchi:
InChI=1S/C34H68O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-36-28-29-37-30-31-38-32-33-39-34(35)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-33H2,1-2H3


name: Naphtholphthalein
cas: 596-01-0
chemspiderid: 62215
dtxsid: DTXSID70208273
formula: C28H18O4
inchikey: HQHBAGKIEAOSNM-UHFFFAOYSA-N
norman_susdat_id: NS00034196
pubchem_cid: 68993
smiles: Oc1c2ccccc2c(cc1)C1(OC(=O)c2c1cccc2)c1c2ccccc2c(O)cc1
inchi:
InChI=1S/C28H18O4/c29-25-15-13-23(17-7-1-3-9-19(17)25)28(22-12-6-5-11-21(22)27(31)32-28)24-14-16-26(30)20-10-4-2-8-18(20)24/h1-16,29-30H


name: 4',5'-Dibromofluorescein
cas: 5960-32-/
chemspiderid: 11198
dtxsid: DTXSID7024904
formula: C20H10Br2O5
inchikey: ZDTNHRWWURISAA-UHFFFAOYSA-N
norman_susdat_id: NS00013514
pubchem_cid: 11689
smiles: Oc1ccc2c(Oc3c(Br)c(O)ccc3C24OC(=O)c5ccccc45)c1Br
inchi:
InChI=1S/C20H10Br2O5/c21-15-13(23)7-5-11-17(15)26-18-12(6-8-14(24)16(18)22)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,23-24H


name: Spiro[isobenzofuran-1(3H),9'-[9H]xanthen]-3-one, 3',6'-bis(acetyloxy)-
cas: 596-09-8
chemspiderid: 58558
dtxsid: DTXSID4060490
formula: C24H16O7
inchikey: CHADEQDQBURGHL-UHFFFAOYSA-N
norman_susdat_id: NS00004810
pubchem_cid: 65047
smiles: CC(=O)Oc1ccc2c(Oc3cc(OC(C)=O)ccc3C22OC(=O)c3ccccc23)c1
inchi:
InChI=1S/C24H16O7/c1-13(25)28-15-7-9-19-21(11-15)30-22-12-16(29-14(2)26)8-10-20(22)24(19)18-6-4-3-5-17(18)23(27)31-24/h3-12H,1-2H3


name: Morphine acetate
cas: 596-15-6
formula: C17H19NO3.C2H4O2
inchikey: CLDOGJORCNORLA-VYKNHSEDSA-N
norman_susdat_id: NS00080288
smiles: CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35.CC(=O)O
inchi:
InChI=1/C17H19NO3.C2H4O2/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;1-2(3)4/h2-5,10-11,13,16,19-20H,6-8H2,1H3;1H3,(H,3,4)


name: Morphine nitrate
cas: 596-16-7
formula: C17H19NO3.HNO3
inchikey: VHBDDUMTLJSZDR-VYKNHSEDSA-N
norman_susdat_id: NS00080267
smiles: CN1CC[C@]23[C@H]4Oc5c(O)ccc(C[C@@H]1[C@@H]2C=C[C@@H]4O)c35.O[N+](=O)[O-]
inchi:
InChI=1/C17H19NO3.HNO3/c1-18-7-6-17-10-3-5-13(20)16(17)21-15-12(19)4-2-9(14(15)17)8-11(10)18;2-1(3)4/h2-5,10-11,13,16,19-20H,6-8H2,1H3;(H,2,3,4)


name: Fluoran
cas: 596-24-7
chebiid: CHEBI:37915
chemspiderid: 62216
dtxsid: DTXSID50208276
formula: C20H12O3
inchikey: FWQHNLCNFPYBCA-UHFFFAOYSA-N
norman_susdat_id: NS00034204
pubchem_cid: 68994
smiles: O=C1OC2(c3c1cccc3)c1c(Oc3c2cccc3)cccc1
inchi:
InChI=1S/C20H12O3/c21-19-13-7-1-2-8-14(13)20(23-19)15-9-3-5-11-17(15)22-18-12-6-4-10-16(18)20/h1-12H


name: 1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxy-3-methylphenyl)-
cas: 596-27-0
chemspiderid: 62217
dtxsid: DTXSID9060491
formula: C22H18O4
inchikey: CPBJMKMKNCRKQB-UHFFFAOYSA-N
norman_susdat_id: NS00019909
pubchem_cid: 68995
smiles: Cc1c(O)ccc(c1)C1(OC(=O)c2c1cccc2)c1cc(C)c(O)cc1
inchi:
InChI=1S/C22H18O4/c1-13-11-15(7-9-19(13)23)22(16-8-10-20(24)14(2)12-16)18-6-4-3-5-17(18)21(25)26-22/h3-12,23-24H,1-2H3


name: Benzenemethanol, 2-chloro-.alpha.,.alpha.-bis[4-(dimethylamino)phenyl]-
cas: 596-42-9
chemspiderid: 62220
dtxsid: DTXSID9060493
formula: C23H25Cl1N2O1
inchikey: OWOSWOVOVQGAHZ-UHFFFAOYSA-N
norman_susdat_id: NS00021236
pubchem_cid: 68998
smiles: CN(C)c1ccc(cc1)C(O)(c1ccc(cc1)N(C)C)c1c(Cl)cccc1
inchi:
InChI=1S/C23H25ClN2O/c1-25(2)19-13-9-17(10-14-19)23(27,21-7-5-6-8-22(21)24)18-11-15-20(16-12-18)26(3)4/h5-16,27H,1-4H3


name: Benzenemethanol, 4-(diethylamino)-.alpha.,.alpha.-bis[4-(diethylamino)phenyl]-
cas: 596-49-6
chemspiderid: 62221
dtxsid: DTXSID9060495
formula: C31H43N3O1
inchikey: NDGDAUFULOJWFG-UHFFFAOYSA-N
norman_susdat_id: NS00019571
pubchem_cid: 68999
smiles: CCN(CC)c1ccc(cc1)C(O)(c1ccc(cc1)N(CC)CC)c1ccc(cc1)N(CC)CC
inchi:
InChI=1S/C31H43N3O/c1-7-32(8-2)28-19-13-25(14-20-28)31(35,26-15-21-29(22-16-26)33(9-3)10-4)27-17-23-30(24-18-27)34(11-5)12-6/h13-24,35H,7-12H2,1-6H3


name: GLYCOPYRRONIUM
cas: 596-51-0
chebiid: CHEBI:94449
chemspiderid: 3374
formula: C19H28N1O3
inchikey: ANGKOCUUWGHLCE-UHFFFAOYSA-N
norman_susdat_id: NS00008486
pubchem_cid: 3494
smiles: C[N+]1(C)CCC(C1)OC(=O)C(O)(C1CCCC1)c1ccccc1
inchi:
InChI=1S/C19H28NO3/c1-20(2)13-12-17(14-20)23-18(21)19(22,16-10-6-7-11-16)15-8-4-3-5-9-15/h3-5,8-9,16-17,22H,6-7,10-14H2,1-2H3/q+1


name: alpha-Obscurine
cas: 596-55-4
chemspiderid: 10234071
dtxsid: DTXSID30420151
formula: C17H26N2O
inchikey: HXJHQEWSHQXRPH-HPTBWKMGSA-N
norman_susdat_id: NS00094686
pubchem_cid: 5462446
smiles: C[C@@H]1C[C@@H]2CC3=C(CCC(=O)N3)[C@]3(C1)[C@@H]2CCCN3C
inchi:
InChI=1S/C17H26N2O/c1-11-8-12-9-15-14(5-6-16(20)18-15)17(10-11)13(12)4-3-7-19(17)2/h11-13H,3-10H2,1-2H3,(H,18,20)/t11-,12-,13-,17-/m1/s1


name: (14a)-7,8-didehydro-4-hydroxy-3-methoxy-17-methylmorphinan-6-one
cas: 596-59-8
formula: C18H21NO3
inchikey: SLJDAVMWFVYEFI-LBTNJELSSA-N
norman_susdat_id: NS00043200
pubchem_cid: 10979463
smiles: O=C1C=CC2C3N(C)CCC2(C4=C(O)C(OC)=CC=C4C3)C1
inchi:
InChI=1/C18H21NO3/c1-19-8-7-18-10-12(20)4-5-13(18)14(19)9-11-3-6-15(22-2)17(21)16(11)18/h3-6,13-14,21H,7-10H2,1-2H3


name: 18-hydroxypregn-4-ene-3,20-dione
cas: 596-69-0
dtxsid: DTXSID80975005
formula: C21H30O3
inchikey: QFNCSEWPJSDMED-OFELHODLSA-N
norman_susdat_id: NS00043730
pubchem_cid: 101786
smiles: O=C1C=C2CCC3C(CCC4(CO)C(C(=O)C)CCC34)C2(C)CC1
inchi:
InChI=1/C21H30O3/c1-13(23)17-5-6-19-16-4-3-14-11-15(24)7-9-20(14,2)18(16)8-10-21(17,19)12-22/h11,16-19,22H,3-10,12H2,1-2H3


name: Ergosinine
cas: 596-88-3
chemspiderid: 119408
dtxsid: DTXSID40276363
formula: C30H37N5O5
inchikey: NESVMZOPWPCFAU-UGTZLQJCSA-N
norman_susdat_id: NS00018312
pubchem_cid: 135569
smiles: CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O
inchi:
InChI=1S/C30H37N5O5/c1-16(2)11-23-27(37)34-10-6-9-24(34)30(39)35(23)28(38)29(3,40-30)32-26(36)18-12-20-19-7-5-8-21-25(19)17(14-31-21)13-22(20)33(4)15-18/h5,7-8,12,14,16,18,22-24,31,39H,6,9-11,13,15H2,1-4H3,(H,32,36)/t18-,22+,23+,24+,29-,30+/m1/s1


cas: 59620-58-5
formula: C35H25N8O12S2
inchikey: OJLROSQSQLGAGD-UHFFFAOYSA-L
norman_susdat_id: NS00055868
pubchem_cid: NA
name:
Disodium hydrogen 5-[[4'-[[8-amino-1-hydroxy-7-[(4-nitrophenyl)azo]-3,6-disulphonato-2-naphthyl]azo][1,1'-biphenyl]-4-yl]azo]salicylate

inchi:
InChI=1/C35H24N8O12S2.2Na.H2/c36-31-30-20(15-28(56(50,51)52)32(31)41-38-23-9-12-25(13-10-23)43(48)49)16-29(57(53,54)55)33(34(30)45)42-39-22-7-3-19(4-8-22)18-1-5-21(6-2-18)37-40-24-11-14-27(44)26(17-24)35(46)47;;;/h1-17,44-45H,36H2,(H,46,47)(H,50,51,52)(H,53,54,55);;;1H/q;3*+1/p-3

smiles:
[H+].[Na+].[Na+].O=C([O-])C1=CC(N=NC=2C=CC(=CC2)C3=CC=C(N=NC4=C(O)C=5C(C=C4S(=O)(=O)[O-])=CC(=C(N=NC6=CC=C(C=C6)[N+](=O)[O-])C5N)S(=O)(=O)[O-])C=C3)=CC=C1O


name: Sodium timerfonate
cas: 5964-24-9
formula: C8H9HgO3S2.Na
inchikey: LUKFIMQJXRYJNK-UHFFFAOYSA-L
norman_susdat_id: NS00082668
smiles: [Na+].CC[Hg]Sc1ccc(cc1)S(=O)(=O)[O-]
inchi:
InChI=1/C6H6O3S2.C2H5.Hg.Na/c7-11(8,9)6-3-1-5(10)2-4-6;1-2;;/h1-4,10H,(H,7,8,9);1H2,2H3;;/q;;2*+1/p-2/rC8H10HgO3S2.Na/c1-2-9-13-7-3-5-8(6-4-7)14(10,11)12;/h3-6H,2H2,1H3,(H,10,11,12);/q;+1/p-1


name: Tetrapotassium ethylenediaminetetraacetate
cas: 5964-35-2
formula: C10H16N2O8.4K
inchikey: JZBRFIUYUGTUGG-UHFFFAOYSA-J
norman_susdat_id: NS00083019
smiles: [K+].[K+].[K+].[K+].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]
inchi:
InChI=1/C10H16N2O8.4K/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;;;/q;4*+1/p-4


cas: 5964-37-4
formula: C19H24ClNO.xC6H8O7
inchikey: NWXYYVAVFTZHND-UHFFFAOYSA-L
norman_susdat_id: NS00082181
smiles: CC(C[NH+](C)C)OC(C)(c1ccccc1)c2ccc(Cl)cc2.OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
name:
[2-[1-(4-chlorophenyl)-1-phenylethoxy]propyl]dimethylammonium dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate

inchi:
InChI=1/C19H24ClNO.C6H8O7/c1-15(14-21(3)4)22-19(2,16-8-6-5-7-9-16)17-10-12-18(20)13-11-17;7-3(8)1-6(13,5(11)12)2-4(9)10/h5-13,15H,14H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/p-2


cas: 59641-46-2
formula: C26H20ClN7O11S3
inchikey: SYUMGWWSOBXIMP-UHFFFAOYSA-N
norman_susdat_id: NS00088454
smiles: Clc5nc(Nc2cc3cc(c(N=Nc1ccc(OC)cc1S(O)(=O)=O)c(O)c3cc2)S(O)(=O)=O)nc(Nc4cccc(c4)S(O)(=O)=O)n5
name:
7-[[4-chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(4-methoxy-2-sulphophenyl)azo]naphthalene-2-sulphonic acid

inchi:
InChI=1/C26H20ClN7O11S3/c1-45-16-6-8-19(20(12-16)47(39,40)41)33-34-22-21(48(42,43)44)10-13-9-15(5-7-18(13)23(22)35)29-26-31-24(27)30-25(32-26)28-14-3-2-4-17(11-14)46(36,37)38/h2-12,35H,1H3,(H,36,37,38)(H,39,40,41)(H,42,43,44)(H2,28,29,30,31,32)


name: 2,9-bis(ethoxypropyl)anthra[2,1,9-def:6,5,10-d'e'f']diisoquinoline-1,3,8,10(2H,9H)-tetrone
cas: 59642-64-7
dtxsid: DTXSID80975040
formula: C34H30N2O6
inchikey: VBUHTNWZJXEZFD-UHFFFAOYSA-N
norman_susdat_id: NS00055869
pubchem_cid: 21118435
smiles: O=C1C2=CC=C3C4=CC=C5C(=O)N(C(=O)C6=CC=C(C=7C=CC(C(=O)N1C(OCC)CC)=C2C37)C4=C56)C(OCC)CC
inchi:
InChI=1/C34H30N2O6/c1-5-25(41-7-3)35-31(37)21-13-9-17-19-11-15-23-30-24(34(40)36(33(23)39)26(6-2)42-8-4)16-12-20(28(19)30)18-10-14-22(32(35)38)29(21)27(17)18/h9-16,25-26H,5-8H2,1-4H3


name: Ketobemidone hydrochloride
cas: 5965-49-1
formula: C15H21NO2.ClH
inchikey: HYDFAZFVKRXNJX-UHFFFAOYSA-N
norman_susdat_id: NS00082669
smiles: Cl.CCC(=O)C1(CCN(C)CC1)c2cccc(O)c2
inchi:
InChI=1/C15H21NO2.ClH/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12;/h4-6,11,17H,3,7-10H2,1-2H3;1H


cas: 59651-54-6
dtxsid: DTXSID30975050
formula: C37H40N6O10S2
inchikey: SHEBDDONGVJDRG-UHFFFAOYSA-N
norman_susdat_id: NS00055746
pubchem_cid: NA
name:
2-[5-[5-[1-[2-(aminosulphonyl)phenyl]-3-cyclohexyl-1,2,3,4-tetrahydro-6-hydroxy-2,4-dioxo-5-pyrimidinyl]penta-2,4-dienylidene]-3-cyclohexyltetrahydro-2,4,6-trioxo-1(2H)-pyrimidinyl]benzenesulphonamide

inchi:
InChI=1/C37H40N6O10S2/c38-54(50,51)30-22-12-10-20-28(30)42-34(46)26(32(44)40(36(42)48)24-14-4-1-5-15-24)18-8-3-9-19-27-33(45)41(25-16-6-2-7-17-25)37(49)43(35(27)47)29-21-11-13-23-31(29)55(39,52)53/h3,8-13,18-25,46H,1-2,4-7,14-17H2,(H2,38,50,51)(H2,39,52,53)

smiles:
O=C1C(=CC=CC=CC=2C(=O)N(C(=O)N(C2O)C=3C=CC=CC3S(=O)(=O)N)C4CCCCC4)C(=O)N(C(=O)N1C=5C=CC=CC5S(=O)(=O)N)C6CCCCC6


name: 3-ethyl-2-[3-(1-ethyl-1H-pyridin-2-ylidene)prop-1-enyl]benzothiazolium iodide
cas: 59652-06-1
dtxsid: DTXSID90975051
formula: C19H21N2S
inchikey: PDTTYWVXGSRCOG-UHFFFAOYSA-M
norman_susdat_id: NS00055325
pubchem_cid: NA
smiles: [I-].S1C=2C=CC=CC2[N+](=C1C=CC=C3C=CC=CN3CC)CC
inchi:
InChI=1/C19H21N2S.HI/c1-3-20-15-8-7-10-16(20)11-9-14-19-21(4-2)17-12-5-6-13-18(17)22-19;/h5-15H,3-4H2,1-2H3;1H/q+1;/p-1


name: 1,3,4-Thiadiazole, 2,5-bis(tert-dodecyldithio)-
cas: 59656-20-1
chemspiderid: 97833
dtxsid: DTXSID9069344
formula: C26H50N2S5
inchikey: XFAHFFMTBQKDHA-UHFFFAOYSA-N
norman_susdat_id: NS00019413
pubchem_cid: 108795
smiles: CCCCCCCCCC(C)(C)SSc1nnc(SSC(C)(C)CCCCCCCCC)s1
inchi:
InChI=1S/C26H50N2S5/c1-7-9-11-13-15-17-19-21-25(3,4)32-30-23-27-28-24(29-23)31-33-26(5,6)22-20-18-16-14-12-10-8-2/h7-22H2,1-6H3


name: Diisopromine
cas: 5966-41-6
chebiid: CHEBI:135245
chemspiderid: 20899
dtxsid: DTXSID60208343
formula: C21H29N1
inchikey: YBJKOPHEJOMRMN-UHFFFAOYSA-N
norman_susdat_id: NS00034212
pubchem_cid: 22262
smiles: CC(C)N(CCC(c1ccccc1)c1ccccc1)C(C)C
inchi:
InChI=1S/C21H29N/c1-17(2)22(18(3)4)16-15-21(19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-14,17-18,21H,15-16H2,1-4H3


name: 9,9,10-Tribromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
cas: 59665-26-8
dtxsid: DTXSID90895346
formula: C10H2Br3F17
inchikey: JSAHWGDHPZKEPF-UHFFFAOYSA-N
norman_susdat_id: NS00112080
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(Br)(Br)CBr
inchi:
InChI=1S/C10H2Br3F17/c11-1-2(12,13)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)30/h1H2


name: 1,3-diacetoxy-1,1,3,3-tetrabutyldistannoxane
cas: 5967-09-9
dtxsid: DTXSID4052263
formula: C20H42O5Sn2
inchikey: JLHADLTXDDGZFX-UHFFFAOYSA-L
norman_susdat_id: NS00047455
pubchem_cid: 16682981
smiles: O=C(O[Sn](O[Sn](OC(=O)C)(CCCC)CCCC)(CCCC)CCCC)C
inchi:
InChI=1/4C4H9.2C2H4O2.O.2Sn/c4*1-3-4-2;2*1-2(3)4;;;/h4*1,3-4H2,2H3;2*1H3,(H,3,4);;;/q;;;;;;;2*+1/p-2/rC20H42O5Sn2/c1-7-11-15-26(16-12-8-2,23-19(5)21)25-27(17-13-9-3,18-14-10-4)24-20(6)22/h7-18H2,1-6H3


cas: 59672-20-7
formula: C16H15N3O7S.1/2Ca
inchikey: KRZBKGSMUYFQAX-UHFFFAOYSA-L
norman_susdat_id: NS00088455
name:
Calcium bis[2-[[[4-[[[[(hydroxymethyl)amino]carbonyl]amino]sulphonyl]phenyl]amino]carbonyl]benzoate]

inchi:
InChI=1/2C16H15N3O7S.Ca/c2*20-9-17-16(24)19-27(25,26)11-7-5-10(6-8-11)18-14(21)12-3-1-2-4-13(12)15(22)23;/h2*1-8,20H,9H2,(H,18,21)(H,22,23)(H2,17,19,24);/q;;+2/p-2

smiles:
[Ca+2].OCNC(=O)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1.OCNC(=O)NS(=O)(=O)c3ccc(NC(=O)c4ccccc4C(=O)[O-])cc3


name: Methyl 2-amino-4-[[(2,5-dichlorophenyl)amino]carbonyl]benzoate
cas: 59673-82-4
dtxsid: DTXSID60886362
formula: C15H12Cl2N2O3
inchikey: SQYUJKVKVFILNB-UHFFFAOYSA-N
norman_susdat_id: NS00056611
pubchem_cid: 761588
smiles: O=C(OC)C1=CC=C(C=C1N)C(=O)NC2=CC(Cl)=CC=C2Cl
inchi:
InChI=1/C15H12Cl2N2O3/c1-22-15(21)10-4-2-8(6-12(10)18)14(20)19-13-7-9(16)3-5-11(13)17/h2-7H,18H2,1H3,(H,19,20)


cas: 59675-67-1
norman_susdat_id: NS00113383
name:
Oxirane, 2-methyl-, polymer with oxirane, ether with 1,2,3-propanetriol (3:1), polymer with 1,1-methylenebis[4-isocyanatobenzene]


name: Myreth-3 myristate
cas: 59686-68-9
chemspiderid: 152498
dtxsid: DTXSID10208378
formula: C30H60O3
inchikey: RHSNXMNVSLEULC-UHFFFAOYSA-N
norman_susdat_id: NS00013865
pubchem_cid: 174878
smiles: CCCCCCCCCCCCCCOCCOC(=O)CCCCCCCCCCCCC
inchi:
InChI=1S/C30H60O3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-32-28-29-33-30(31)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-29H2,1-2H3


name: Diisohexadecyl adipate
cas: 59686-69-0
dtxsid: DTXSID40975086
formula: C38H74O4
inchikey: BHGAOGZUKUXCDC-UHFFFAOYSA-N
norman_susdat_id: NS00055327
pubchem_cid: 108804
smiles: O=C(OCCCCCCCCCCCCCC(C)C)CCCCC(=O)OCCCCCCCCCCCCCC(C)C
inchi:
InChI=1/C38H74O4/c1-35(2)29-23-19-15-11-7-5-9-13-17-21-27-33-41-37(39)31-25-26-32-38(40)42-34-28-22-18-14-10-6-8-12-16-20-24-30-36(3)4/h35-36H,5-34H2,1-4H3


name: Dihydroxy(5-oxo-L-prolinato-N1,O2)aluminium
cas: 59692-88-5
formula: C5H8AlNO5
inchikey: BVVSRIYAWFFHGA-UHFFFAOYSA-K
norman_susdat_id: NS00088468
smiles: O[Al](O)OC(=O)C1CCC(=O)N1
inchi:
InChI=1/C5H7NO3.Al.2H2O/c7-4-2-1-3(6-4)5(8)9;;;/h3H,1-2H2,(H,6,7)(H,8,9);;2*1H2/q;+3;;/p-3/rC5H8AlNO5/c8-4-2-1-3(7-4)5(9)12-6(10)11/h3,10-11H,1-2H2,(H,7,8)


name: Cephalexin hydrochloride anhydrous
cas: 59695-59-9
dtxsid: DTXSID20208400
formula: C16H18ClN3O4S
inchikey: LSBUIZREQYVRSY-CYJZLJNKSA-N
norman_susdat_id: NS00076216
smiles: Cl.CC1=C(N2[C@H](SC1)[C@H](NC(=O)[C@H](N)C1=CC=CC=C1)C2=O)C(O)=O
inchi:
InChI=1S/C16H17N3O4S.ClH/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-6,10-11,15H,7,17H2,1H3,(H,18,20)(H,22,23);1H/t10-,11-,15-;/m1./s1


name: Melezitose
cas: 597-12-6
chebiid: CHEBI:6731
chemspiderid: 83787
dtxsid: DTXSID20883458
formula: C18H32O16
inchikey: QWIZNVHXZXRPDR-WSCXOGSTSA-N
norman_susdat_id: NS00014989
pubchem_cid: 92817
inchi:
InChI=1S/C18H32O16/c19-1-5-8(23)11(26)13(28)16(30-5)32-15-10(25)7(3-21)33-18(15,4-22)34-17-14(29)12(27)9(24)6(2-20)31-17/h5-17,19-29H,1-4H2/t5-,6-,7-,8-,9-,10-,11+,12+,13-,14-,15+,16-,17-,18+/m1/s1

smiles:
OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@H](O[C@@]2(CO)O[C@H]2O[C@H](CO)[C@H]([C@@H]([C@H]2O)O)O)CO)[C@@H]([C@H]([C@@H]1O)O)O


name: pentcillin
cas: 59703-84-3
chebiid: CHEBI:8232
chemspiderid: 39798
formula: C23H27N5O7S1
inchikey: IVBHGBMCVLDMKU-GXNBUGAJSA-N
norman_susdat_id: NS00009682
pubchem_cid: 43672
smiles: CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c2ccccc2)C(=O)C1=O
inchi:
InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1


name: Octyl dihydrogen phosphate, compound with 2,2'-iminodiethanol (1:2)
cas: 59707-20-9
formula: C8H19O4P.2C4H11NO2
inchikey: YTHOBNZVQYPNPY-UHFFFAOYSA-N
norman_susdat_id: NS00088470
smiles: CCCCCCCCOP(=O)(O)O.OCCNCCO.OCCNCCO
inchi:
InChI=1/C8H19O4P.2C4H11NO2/c1-2-3-4-5-6-7-8-12-13(9,10)11;2*6-3-1-5-2-4-7/h2-8H2,1H3,(H2,9,10,11);2*5-7H,1-4H2


name: Dioctyl hydrogen phosphate, compound with 2,2'-iminodiethanol (1:1)
cas: 59707-21-0
formula: C16H35O4P.C4H11NO2
inchikey: XLSRZXPMHKCBMU-UHFFFAOYSA-N
norman_susdat_id: NS00088049
smiles: CCCCCCCCOP(=O)(O)OCCCCCCCC.OCCNCCO
inchi:
InChI=1/C16H35O4P.C4H11NO2/c1-3-5-7-9-11-13-15-19-21(17,18)20-16-14-12-10-8-6-4-2;6-3-1-5-2-4-7/h3-16H2,1-2H3,(H,17,18);5-7H,1-4H2


name: Carfentanil
cas: 59708-52-0
chebiid: CHEBI:61084
chemspiderid: 55986
dtxsid: DTXSID40208427
formula: C24H30N2O3
inchikey: YDSDEBIZUNNPOB-UHFFFAOYSA-N
norman_susdat_id: NS00010361
pubchem_cid: 62156
smiles: CCC(=O)N(c1ccccc1)C2(CCN(CC2)CCc3ccccc3)C(=O)OC
inchi:
InChI=1S/C24H30N2O3/c1-3-22(27)26(21-12-8-5-9-13-21)24(23(28)29-2)15-18-25(19-16-24)17-14-20-10-6-4-7-11-20/h4-13H,3,14-19H2,1-2H3


name: 1-[2-[[4-[(2,6-dichloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium acetate
cas: 59709-07-8
formula: C21H20Cl2N5O2.C2H3O2
inchikey: RDYVMOQUBHURJY-UHFFFAOYSA-M
norman_susdat_id: NS00088105
smiles: [O-]C(C)=O.[O-][N+](=O)c3cc(Cl)c(N=Nc1ccc(cc1)N(CC[n+]2ccccc2)CC)c(Cl)c3
inchi:
InChI=1/C21H20Cl2N5O2.C2H4O2/c1-2-27(13-12-26-10-4-3-5-11-26)17-8-6-16(7-9-17)24-25-21-19(22)14-18(28(29)30)15-20(21)23;1-2(3)4/h3-11,14-15H,2,12-13H2,1H3;1H3,(H,3,4)/q+1;/p-1


name: 1-[2-[ethyl[4-[(3-phenyl-1,2,4-thiadiazol-5-yl)azo]phenyl]amino]ethyl]pyridinium acetate
cas: 59709-09-0
formula: C23H23N6S.C2H3O2
inchikey: JPNWWWJVEZVPHJ-UHFFFAOYSA-M
norman_susdat_id: NS00088482
smiles: [O-]C(C)=O.CCN(CC[n+]1ccccc1)c2ccc(cc2)N=Nc3nc(ns3)c4ccccc4
inchi:
InChI=1/C23H23N6S.C2H4O2/c1-2-29(18-17-28-15-7-4-8-16-28)21-13-11-20(12-14-21)25-26-23-24-22(27-30-23)19-9-5-3-6-10-19;1-2(3)4/h3-16H,2,17-18H2,1H3;1H3,(H,3,4)/q+1;/p-1


name: 1-[2-[[4-[(2-chloro-4-nitrophenyl)azo]phenyl]ethylamino]ethyl]pyridinium acetate
cas: 59709-10-3
dtxsid: DTXSID60886367
formula: C21H22ClN5O2
inchikey: WQIDMVKHMHGZPN-UHFFFAOYSA-M
norman_susdat_id: NS00055924
pubchem_cid: 162887
smiles: O=C([O-])C.O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2)N(CC)CC[N+]=3C=CC=CC3)C(Cl)=C1
inchi:
InChI=1/C21H21ClN5O2.C2H4O2/c1-2-26(15-14-25-12-4-3-5-13-25)18-8-6-17(7-9-18)23-24-21-11-10-19(27(28)29)16-20(21)22;1-2(3)4/h3-13,16H,2,14-15H2,1H3;1H3,(H,3,4)/q+1;/p-1


cas: 59709-38-5
chemspiderid: 21161864
dtxsid: DTXSID3069350
formula: C20H20Br1Cl1N4O6
inchikey: SGXLDQRCIYZKPS-UHFFFAOYSA-N
norman_susdat_id: NS00020436
pubchem_cid: 108814
smiles: COC(=O)CCN(CCC(=O)OC)c1ccc(cc1)N=Nc1c(Br)cc(cc1Cl)[N+](=O)[O-]
name:
.beta.-Alanine, N-[4-[(2-bromo-6-chloro-4-nitrophenyl)azo]phenyl]-N-(3-methoxy-3-oxopropyl)-, methyl ester

inchi:
InChI=1S/C20H20BrClN4O6/c1-31-18(27)7-9-25(10-8-19(28)32-2)14-5-3-13(4-6-14)23-24-20-16(21)11-15(26(29)30)12-17(20)22/h3-6,11-12H,7-10H2,1-2H3/b24-23+


name: (±)-4-benzhydryl-2-[(3,4-dimethoxyphenyl)methyl]-1,2-dimethylpiperazine
cas: 59716-06-2
formula: C28H34N2O2
inchikey: HBIDWFPFQACMBQ-UHFFFAOYSA-N
norman_susdat_id: NS00055355
pubchem_cid: 108380
smiles: O(C1=CC=C(C=C1OC)CC2(N(C)CCN(C2)C(C=3C=CC=CC3)C=4C=CC=CC4)C)C
inchi:
InChI=1/C28H34N2O2/c1-28(20-22-15-16-25(31-3)26(19-22)32-4)21-30(18-17-29(28)2)27(23-11-7-5-8-12-23)24-13-9-6-10-14-24/h5-16,19,27H,17-18,20-21H2,1-4H3


name: Bis{2-[2-(propan-2-yl)-1,3-oxazolidin-3-yl]ethyl} hexane-1,6-diylbiscarbamate
cas: 59719-67-4
chemspiderid: 97439
dtxsid: DTXSID8044961
formula: C24H46N4O6
inchikey: KQYKAMMEDGWORJ-UHFFFAOYSA-N
norman_susdat_id: NS00008191
pubchem_cid: 108381
smiles: CC(C)C1OCCN1CCOC(=O)NCCCCCCNC(=O)OCCN1CCOC1C(C)C
inchi:
InChI=1S/C24H46N4O6/c1-19(2)21-27(11-15-31-21)13-17-33-23(29)25-9-7-5-6-8-10-26-24(30)34-18-14-28-12-16-32-22(28)20(3)4/h19-22H,5-18H2,1-4H3,(H,25,29)(H,26,30)


name: 1,1',1''-[methylidynetris(oxy)]tris(tridecane)
cas: 59719-97-0
dtxsid: DTXSID20975125
formula: C40H82O3
inchikey: JBNCQQVJICVAHS-UHFFFAOYSA-N
norman_susdat_id: NS00055377
pubchem_cid: 108815
smiles: O(CCCCCCCCCCCCC)C(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC
inchi:
InChI=1/C40H82O3/c1-4-7-10-13-16-19-22-25-28-31-34-37-41-40(42-38-35-32-29-26-23-20-17-14-11-8-5-2)43-39-36-33-30-27-24-21-18-15-12-9-6-3/h40H,4-39H2,1-3H3


name: Tris(tridecyl) borate
cas: 59720-00-2
dtxsid: DTXSID20208445
formula: C39H81BO3
inchikey: VDIBRAAMAUQZOL-UHFFFAOYSA-N
norman_susdat_id: NS00055785
pubchem_cid: 108816
smiles: O(B(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC)CCCCCCCCCCCCC
inchi:
InChI=1/C39H81BO3/c1-4-7-10-13-16-19-22-25-28-31-34-37-41-40(42-38-35-32-29-26-23-20-17-14-11-8-5-2)43-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-39H2,1-3H3


name: 9,10-Anthracenedione, 1-amino-2-(4-bromophenoxy)-4-hydroxy-
cas: 59722-76-8
chemspiderid: 97855
dtxsid: DTXSID8069351
formula: C20H12Br1N1O4
inchikey: NXLZYWCPIVGZKC-UHFFFAOYSA-N
norman_susdat_id: NS00034224
pubchem_cid: 108817
smiles: Nc1c(Oc2ccc(Br)cc2)cc(O)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C20H12BrNO4/c21-10-5-7-11(8-6-10)26-15-9-14(23)16-17(18(15)22)20(25)13-4-2-1-3-12(13)19(16)24/h1-9,23H,22H2


name: Bromopentyltriphenylphosphorane
cas: 59725-01-8
dtxsid: DTXSID50975138
formula: C23H26BrP
inchikey: AIGLQVZTPYKOGX-UHFFFAOYSA-N
norman_susdat_id: NS00055378
pubchem_cid: 108819
smiles: BrP(C=1C=CC=CC1)(C=2C=CC=CC2)(C=3C=CC=CC3)CCCCC
inchi:
InChI=1/C23H26BrP/c1-2-3-13-20-25(24,21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23/h4-12,14-19H,2-3,13,20H2,1H3


name: NSC221106
cas: 59727-25-2
dtxsid: DTXSID30309992
formula: C9H7F7N2O3
inchikey: IXEUDEKRZXOLQA-UHFFFAOYSA-N
norman_susdat_id: NS00109847
smiles: FC(F)(F)C(F)(F)C(F)(F)COCC1=CNC(=O)NC1=O
inchi:
InChI=1S/C9H7F7N2O3/c10-7(11,8(12,13)9(14,15)16)3-21-2-4-1-17-6(20)18-5(4)19/h1H,2-3H2,(H2,17,18,19,20)


name: Lorcainide
cas: 59729-31-6
chebiid: CHEBI:135568
chemspiderid: 39116
dtxsid: DTXSID2023226
formula: C22H27Cl1N2O1
inchikey: XHOJAWVAWFHGHL-UHFFFAOYSA-N
norman_susdat_id: NS00002477
pubchem_cid: 42884
smiles: CC(C)N1CCC(CC1)N(C(=O)Cc1ccccc1)c1ccc(Cl)cc1
inchi:
InChI=1S/C22H27ClN2O/c1-17(2)24-14-12-21(13-15-24)25(20-10-8-19(23)9-11-20)22(26)16-18-6-4-3-5-7-18/h3-11,17,21H,12-16H2,1-2H3


name: Citalopram hydrobromide
cas: 59729-32-7
dtxsid: DTXSID40872344
formula: C20H22BrFN2O
inchikey: WIHMBLDNRMIGDW-UHFFFAOYSA-N
norman_susdat_id: NS00088112
smiles: Br.CN(C)CCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
inchi:
InChI=1/C20H21FN2O.BrH/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20;/h4-9,12H,3,10-11,14H2,1-2H3;1H


name: Citalopram
cas: 59729-33-8
chebiid: CHEBI:77397
chemspiderid: 2669
dtxsid: DTXSID8022826
formula: C20H21F1N2O1
inchikey: WSEQXVZVJXJVFP-UHFFFAOYSA-N
norman_susdat_id: NS00000035
pubchem_cid: 2771
smiles: CN(C)CCCC1(OCC2=C1C=CC(=C2)C#N)C1=CC=C(F)C=C1
inchi:
InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3


name: 2-[2-[(2,4-dimethoxyphenyl)amino]vinyl]-1,3,3-trimethyl-3H-indolium acetate
cas: 59737-00-7
formula: C21H25N2O2.C2H3O2
inchikey: YLNBCTXNNPUVMR-UHFFFAOYSA-N
norman_susdat_id: NS00088302
smiles: COc1ccc(N\C=C\C2=[N+](C)c3ccccc3C2(C)C)c(OC)c1.CC(=O)[O-]
inchi:
InChI=1/C21H24N2O2.C2H4O2/c1-21(2)16-8-6-7-9-18(16)23(3)20(21)12-13-22-17-11-10-15(24-4)14-19(17)25-5;1-2(3)4/h6-14H,1-5H3;1H3,(H,3,4)


name: 2-[2-[(4-methoxyphenyl)amino]vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate
cas: 59737-01-8
formula: C20H23N2O.HO4S
inchikey: VQWAIAQQRBMRKH-UHFFFAOYSA-M
norman_susdat_id: NS00088338
smiles: COc1ccc(N\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C20H22N2O.H2O4S/c1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;1-5(2,3)4/h5-14H,1-4H3;(H2,1,2,3,4)/p-1


name: 2-[2-[(4-methoxyphenyl)amino]vinyl]-1,3,3-trimethyl-3H-indolium acetate
cas: 59737-02-9
formula: C20H23N2O.C2H3O2
inchikey: XNYAFIMDLLJYPY-UHFFFAOYSA-N
norman_susdat_id: NS00088339
smiles: COc1ccc(N\C=C\C2=[N+](C)c3ccccc3C2(C)C)cc1.CC(=O)[O-]
inchi:
InChI=1/C20H22N2O.C2H4O2/c1-20(2)17-7-5-6-8-18(17)22(3)19(20)13-14-21-15-9-11-16(23-4)12-10-15;1-2(3)4/h5-14H,1-4H3;1H3,(H,3,4)


name: 2-[2-(2,3-dihydro-2-methyl-1H-indol-1-yl)vinyl]-1,3,3-trimethyl-3H-indolium dihydrogen phosphate
cas: 59737-18-7
formula: C22H25N2.H2O4P
inchikey: SKSBVNFUOFLXIC-UHFFFAOYSA-K
norman_susdat_id: NS00088340
smiles: CC1Cc2ccccc2N1\C=C\C3=[N+](C)c4ccccc4C3(C)C.[O-]P(=O)([O-])[O-]
inchi:
InChI=1/C22H25N2.H3O4P/c1-16-15-17-9-5-7-11-19(17)24(16)14-13-21-22(2,3)18-10-6-8-12-20(18)23(21)4;1-5(2,3)4/h5-14,16H,15H2,1-4H3;(H3,1,2,3,4)/q+1;/p-3


name: 2-[2-[(2,4-dimethoxyphenyl)amino]vinyl]-1,3,3-trimethyl-3H-indolium hydrogen sulphate
cas: 59737-31-4
formula: C21H25N2O2.HO4S
inchikey: JNVSQOYUWYHNAK-UHFFFAOYSA-M
norman_susdat_id: NS00088093
smiles: COc1ccc(N\C=C\C2=[N+](C)c3ccccc3C2(C)C)c(OC)c1.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/C21H24N2O2.H2O4S/c1-21(2)16-8-6-7-9-18(16)23(3)20(21)12-13-22-17-11-10-15(24-4)14-19(17)25-5;1-5(2,3)4/h6-14H,1-5H3;(H2,1,2,3,4)/p-1


cas: 5974-19-6
dtxsid: DTXSID30975151
formula: C31H34N3
inchikey: ZMJPCIAEJKVKMQ-UHFFFAOYSA-M
norman_susdat_id: NS00046678
pubchem_cid: 22280
smiles: [Cl-].C=1C=CC(=CC1)C[N+](=C2C=CC(C=C2)=C(C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C)C
name:
Benzyl[4-[bis[p-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]methylammonium chloride

inchi:
InChI=1/C31H34N3.ClH/c1-32(2)28-17-11-25(12-18-28)31(26-13-19-29(20-14-26)33(3)4)27-15-21-30(22-16-27)34(5)23-24-9-7-6-8-10-24;/h6-22H,23H2,1-5H3;1H/q+1;/p-1


name: 10-methoxy-4-(1-methylpiperidin-4-yl)-4H-benzo[4.5]cyclohepta[1,2-b]thiophene-4-ol
cas: 59743-88-3
dtxsid: DTXSID90975157
formula: C20H23NO2S
inchikey: AAYKXJAFSKIHRK-UHFFFAOYSA-N
norman_susdat_id: NS00057212
pubchem_cid: 108389
smiles: OC1(C=2C=CC=CC2C=C(OC)C=3SC=CC31)C4CCN(C)CC4
inchi:
InChI=1/C20H23NO2S/c1-21-10-7-15(8-11-21)20(22)16-6-4-3-5-14(16)13-18(23-2)19-17(20)9-12-24-19/h3-6,9,12-13,15,22H,7-8,10-11H2,1-2H3


name: [1,1'-Biphenyl]-4-carboxylic acid, 4'-pentyl-, 4-pentylphenyl ester
cas: 59748-19-5
chemspiderid: 97863
dtxsid: DTXSID8069355
formula: C29H34O2
inchikey: HYRFINJDWFLMME-UHFFFAOYSA-N
norman_susdat_id: NS00034227
pubchem_cid: 108825
smiles: CCCCCc1ccc(OC(=O)c2ccc(cc2)c2ccc(CCCCC)cc2)cc1
inchi:
InChI=1S/C29H34O2/c1-3-5-7-9-23-11-15-25(16-12-23)26-17-19-27(20-18-26)29(30)31-28-21-13-24(14-22-28)10-8-6-4-2/h11-22H,3-10H2,1-2H3


name: Benzoic acid, 4-butyl-, 4'-propyl[1,1'-biphenyl]-4-yl ester
cas: 59748-32-2
chemspiderid: 97864
dtxsid: DTXSID3069356
formula: C26H28O2
inchikey: SUHTWRQMBLXNFP-UHFFFAOYSA-N
norman_susdat_id: NS00034228
pubchem_cid: 108826
smiles: CCCCc1ccc(cc1)C(=O)Oc1ccc(cc1)c1ccc(CCC)cc1
inchi:
InChI=1S/C26H28O2/c1-3-5-7-21-10-14-24(15-11-21)26(27)28-25-18-16-23(17-19-25)22-12-8-20(6-4-2)9-13-22/h8-19H,3-7H2,1-2H3


name: Benzoic acid, 4-butyl-, 4'-pentyl[1,1'-biphenyl]-4-yl ester
cas: 59748-34-4
chemspiderid: 84769
dtxsid: DTXSID8069357
formula: C28H32O2
inchikey: MYVSMQJGGRPENO-UHFFFAOYSA-N
norman_susdat_id: NS00034229
pubchem_cid: 108827
smiles: CCCCCc1ccc(cc1)c1ccc(OC(=O)c2ccc(CCCC)cc2)cc1
inchi:
InChI=1S/C28H32O2/c1-3-5-7-9-23-10-14-24(15-11-23)25-18-20-27(21-19-25)30-28(29)26-16-12-22(13-17-26)8-6-4-2/h10-21H,3-9H2,1-2H3


name: Zearalanone
cas: 5975-78-0
chemspiderid: 3573857
dtxsid: DTXSID6022395
formula: C18H24O5
inchikey: APJDQUGPCJRQRJ-UHFFFAOYSA-N
norman_susdat_id: NS00008324
pubchem_cid: 4371409
smiles: CC1CCCC(=O)CCCCCc2cc(O)cc(O)c2C(=O)O1
inchi:
InChI=1S/C18H24O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h10-12,20-21H,2-9H2,1H3


name: (R)-1-[[[(2-aminoethoxy)hydroxyphosphinyl]oxy]methyl]ethylene dilaurate
cas: 59752-57-7
dtxsid: DTXSID80975166
formula: C29H58NO8P
inchikey: ZLGYVWRJIZPQMM-HHHXNRCGSA-N
norman_susdat_id: NS00056339
pubchem_cid: 108390
smiles: O=C(OCC(OC(=O)CCCCCCCCCCC)COP(=O)(O)OCCN)CCCCCCCCCCC
inchi:
InChI=1/C29H58NO8P/c1-3-5-7-9-11-13-15-17-19-21-28(31)35-25-27(26-37-39(33,34)36-24-23-30)38-29(32)22-20-18-16-14-12-10-8-6-4-2/h27H,3-26,30H2,1-2H3,(H,33,34)


name: Fluridone
cas: 59756-60-4
chebiid: CHEBI:82016
chemspiderid: 39255
dtxsid: DTXSID8024107
formula: C19H14F3N1O1
inchikey: YWBVHLJPRPCRSD-UHFFFAOYSA-N
norman_susdat_id: NS00000143
pubchem_cid: 43079
smiles: CN1C=C(C(=O)C(=C1)C2=CC(=CC=C2)C(F)(F)F)C3=CC=CC=C3
inchi:
InChI=1S/C19H14F3NO/c1-23-11-16(13-6-3-2-4-7-13)18(24)17(12-23)14-8-5-9-15(10-14)19(20,21)22/h2-12H,1H3


name: 4-Hydroxy-estradiol
cas: 5976-61-4
chebiid: CHEBI:62845
chemspiderid: 1680
dtxsid: DTXSID3022374
formula: C18H24O3
inchikey: QOZFCKXEVSGWGS-ZHIYBZGJSA-N
norman_susdat_id: NS00040591
pubchem_cid: 5282360
smiles: C[C@]12CC[C@H]3[C@@H](CCc4c(O)c(O)ccc34)[C@@H]1CC[C@@H]2O
inchi:
InChI=1S/C18H24O3/c1-18-9-8-11-10-4-6-15(19)17(21)13(10)3-2-12(11)14(18)5-7-16(18)20/h4,6,11-12,14,16,19-21H,2-3,5,7-9H2,1H3/t11-,12-,14+,16+,18+/m1/s1


name: Piperazine 1,3,4,5-tetrahydroxycyclohexane-1-carboxylate
cas: 59766-07-3
formula: C7H12O6.xC4H10N2
inchikey: ILELYUFCZWQXGV-UHFFFAOYSA-N
norman_susdat_id: NS00088120
smiles: OC1CC(O)(CC(O)C1O)C(=O)O.C2CNCCN2
inchi:
InChI=1/C7H12O6.C4H10N2/c8-3-1-7(13,6(11)12)2-4(9)5(3)10;1-2-6-4-3-5-1/h3-5,8-10,13H,1-2H2,(H,11,12);5-6H,1-4H2


name: N6-(1-oxodecyl)-L-lysine
cas: 59766-99-3
dtxsid: DTXSID70975175
formula: C16H32N2O3
inchikey: JVGQYGXDASKPJW-AWEZNQCLSA-N
norman_susdat_id: NS00055947
pubchem_cid: 108833
smiles: O=C(NCCCCC(N)C(=O)O)CCCCCCCCC
inchi:
InChI=1/C16H32N2O3/c1-2-3-4-5-6-7-8-12-15(19)18-13-10-9-11-14(17)16(20)21/h14H,2-13,17H2,1H3,(H,18,19)(H,20,21)


name: Fencibutirol
cas: 5977-10-6
chebiid: CHEBI:135081
formula: C16H22O3
inchikey: HPLFQKUIHGZHPH-UHFFFAOYSA-N
norman_susdat_id: NS00046611
pubchem_cid: 71170
smiles: O=C(O)C(CC)C1(O)CCC(C=2C=CC=CC2)CC1
inchi:
InChI=1/C16H22O3/c1-2-14(15(17)18)16(19)10-8-13(9-11-16)12-6-4-3-5-7-12/h3-7,13-14,19H,2,8-11H2,1H3,(H,17,18)


name: 2-fluoro-N-[2-hydroxy-3-(methylphenylamino)propyl]benzamide
cas: 59772-70-2
dtxsid: DTXSID00975183
formula: C17H19FN2O2
inchikey: UQRHIAUSRXRYMO-UHFFFAOYSA-N
norman_susdat_id: NS00056366
pubchem_cid: 108391
smiles: O=C(NCC(O)CN(C=1C=CC=CC1)C)C=2C=CC=CC2F
inchi:
InChI=1/C17H19FN2O2/c1-20(13-7-3-2-4-8-13)12-14(21)11-19-17(22)15-9-5-6-10-16(15)18/h2-10,14,21H,11-12H2,1H3,(H,19,22)


name: Dupracetam
cas: 59776-90-8
dtxsid: DTXSID40975187
formula: C12H18N4O4
inchikey: YPUPYVWSTBYCBY-UHFFFAOYSA-N
norman_susdat_id: NS00056367
pubchem_cid: 68793
smiles: O=C(NNC(=O)CN1C(=O)CCC1)CN2C(=O)CCC2
inchi:
InChI=1/C12H18N4O4/c17-9(7-15-5-1-3-11(15)19)13-14-10(18)8-16-6-2-4-12(16)20/h1-8H2,(H,13,17)(H,14,18)


name: (Perfluorohexadecyl)ethyl 2-methyl-2-propenoate
cas: 59778-97-1
chemspiderid: 143000
dtxsid: DTXSID2069361
formula: C22H9F33O2
inchikey: XLGBPNZHUPJRPB-UHFFFAOYSA-N
norman_susdat_id: NS00011006
pubchem_cid: 162890
inchi:
InChI=1S/C22H9F33O2/c1-5(2)6(56)57-4-3-7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)13(35,36)14(37,38)15(39,40)16(41,42)17(43,44)18(45,46)19(47,48)20(49,50)21(51,52)22(53,54)55/h1,3-4H2,2H3

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


name: Apoatropine hydrochloride
cas: 5978-81-4
formula: C17H21NO2.ClH
inchikey: RALAARQREFCZJO-CNKDKAJDSA-N
norman_susdat_id: NS00081896
smiles: Cl.CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(=C)c3ccccc3
inchi:
InChI=1/C17H21NO2.ClH/c1-12(13-6-4-3-5-7-13)17(19)20-16-10-14-8-9-15(11-16)18(14)2;/h3-7,14-16H,1,8-11H2,2H3;1H


name: 9,10-Anthracenedione, 1-amino-4-hydroxy-2-[2-(2-methoxyethoxy)ethoxy]-
cas: 59787-78-9
chemspiderid: 78787
dtxsid: DTXSID7069364
formula: C19H19N1O6
inchikey: CRMKCODPIHHCGA-UHFFFAOYSA-N
norman_susdat_id: NS00021237
pubchem_cid: 87343
smiles: COCCOCCOc1cc(O)c2C(=O)c3ccccc3C(=O)c2c1N
inchi:
InChI=1S/C19H19NO6/c1-24-6-7-25-8-9-26-14-10-13(21)15-16(17(14)20)19(23)12-5-3-2-4-11(12)18(15)22/h2-5,10,21H,6-9,20H2,1H3


name: Sodium 3-[(1,5-dihydroxy-2-naphthyl)azo]-4-hydroxy-5-nitrobenzenesulphonate
cas: 5979-27-1
dtxsid: DTXSID60975200
formula: C16H12N3O8S
inchikey: MLJAXWJCHOAYFH-UHFFFAOYSA-M
norman_susdat_id: NS00046259
pubchem_cid: NA
smiles: [Na+].O=[N+]([O-])C1=CC(=CC(N=NC=2C=CC=3C(O)=CC=CC3C2O)=C1O)S(=O)(=O)[O-]
inchi:
InChI=1/C16H11N3O8S.Na/c20-14-3-1-2-10-9(14)4-5-11(15(10)21)17-18-12-6-8(28(25,26)27)7-13(16(12)22)19(23)24;/h1-7,20-22H,(H,25,26,27);/q;+1/p-1


name: C.I. Pigment Yellow 16
cas: 5979-28-2
chemspiderid: 20921
dtxsid: DTXSID6021452
formula: C34H28Cl4N6O4
inchikey: JFMYRCRXYIIGBB-CHQNLTHESA-N
norman_susdat_id: NS00013489
pubchem_cid: NA
smiles: CC(=O)C(N=Nc1ccc(Cl)cc1Cl)C(=O)Nc2ccc(cc2C)c3ccc(NC(=O)C(N=Nc4ccc(Cl)cc4Cl)C(C)=O)c(C)c3
inchi:
InChI=1S/C34H28Cl4N6O4/c1-17-13-21(5-9-27(17)39-33(47)31(19(3)45)43-41-29-11-7-23(35)15-25(29)37)22-6-10-28(18(2)14-22)40-34(48)32(20(4)46)44-42-30-12-8-24(36)16-26(30)38/h5-16,31-32H,1-4H3,(H,39,47)(H,40,48)


cas: 5979-31-7
dtxsid: DTXSID60889499
formula: C29H22N6O8S2
inchikey: FXHTUQLHYNKIPD-UHFFFAOYSA-L
norman_susdat_id: NS00047539
pubchem_cid: 72696
name:
Disodium 7-[(3-aminobenzoyl)amino]-4-hydroxy-3-[[4-[(4-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C29H22N6O8S2.2Na/c30-19-3-1-2-17(14-19)29(37)31-23-10-13-25-18(15-23)16-26(45(41,42)43)27(28(25)36)35-34-21-6-4-20(5-7-21)32-33-22-8-11-24(12-9-22)44(38,39)40;;/h1-16,36H,30H2,(H,31,37)(H,38,39,40)(H,41,42,43);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(N=NC4=CC=C(C=C4)S(=O)(=O)[O-])C=C3)C2O)S(=O)(=O)[O-])C=5C=CC=C(N)C5


cas: 5979-32-8
formula: C30H24N6O8S2
inchikey: FFFOLONLYOYQPD-UHFFFAOYSA-L
norman_susdat_id: NS00047540
pubchem_cid: NA
name:
Disodium 7-[(4-aminobenzoyl)amino]-4-hydroxy-3-[[3-methyl-4-[(3-sulphonatophenyl)azo]phenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C30H24N6O8S2.2Na/c1-17-13-23(10-12-26(17)35-33-22-3-2-4-24(16-22)45(39,40)41)34-36-28-27(46(42,43)44)15-19-14-21(9-11-25(19)29(28)37)32-30(38)18-5-7-20(31)8-6-18;;/h2-16,37H,31H2,1H3,(H,32,38)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C(NC=1C=CC=2C(C1)=CC(=C(N=NC3=CC=C(N=NC4=CC=CC(=C4)S(=O)(=O)[O-])C(=C3)C)C2O)S(=O)(=O)[O-])C5=CC=C(N)C=C5


name: Octyl docosanoate
cas: 5979-98-6
chemspiderid: 72331
dtxsid: DTXSID40208523
formula: C30H60O2
inchikey: MWSXIWIELAIOBE-UHFFFAOYSA-N
norman_susdat_id: NS00034239
pubchem_cid: 80081
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC
inchi:
InChI=1S/C30H60O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-28-30(31)32-29-27-25-10-8-6-4-2/h3-29H2,1-2H3


name: Enilospirone
cas: 59798-73-1
formula: C15H18ClNO3
inchikey: PSHBCUHYCLAGPZ-BAOLWLNASA-N
norman_susdat_id: NS00056369
pubchem_cid: 10063117
smiles: O=C1NC2(OC1C)CCCCC2OC=3C=CC=C(Cl)C3
inchi:
InChI=1/C15H18ClNO3/c1-10-14(18)17-15(20-10)8-3-2-7-13(15)19-12-6-4-5-11(16)9-12/h4-6,9-10,13H,2-3,7-8H2,1H3,(H,17,18)


name: Dilauryl succinate
cas: 5980-15-4
chemspiderid: 72332
dtxsid: DTXSID70208536
formula: C28H54O4
inchikey: JBJMZCVEBLDYCA-UHFFFAOYSA-N
norman_susdat_id: NS00034240
pubchem_cid: 80082
smiles: CCCCCCCCCCCCOC(=O)CCC(=O)OCCCCCCCCCCCC
inchi:
InChI=1S/C28H54O4/c1-3-5-7-9-11-13-15-17-19-21-25-31-27(29)23-24-28(30)32-26-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3


name: Tris(isotridecyl) borate
cas: 59802-06-1
dtxsid: DTXSID80208542
formula: C39H81BO3
inchikey: BAKYBFYKXATTQM-UHFFFAOYSA-N
norman_susdat_id: NS00055948
pubchem_cid: 108841
smiles: O(B(OCCCCCCCCCCC(C)C)OCCCCCCCCCCC(C)C)CCCCCCCCCCC(C)C
inchi:
InChI=1/C39H81BO3/c1-37(2)31-25-19-13-7-10-16-22-28-34-41-40(42-35-29-23-17-11-8-14-20-26-32-38(3)4)43-36-30-24-18-12-9-15-21-27-33-39(5)6/h37-39H,7-36H2,1-6H3


name: Tenoxicam
cas: 59804-37-4
chemspiderid: 4471584
dtxsid: DTXSID8045486
formula: C13H11N3O4S2
inchikey: WZWYJBNHTWCXIM-RAXLEYEMSA-N
norman_susdat_id: NS00004516
pubchem_cid: NA
smiles: CN1C(=C(/O)Nc2ccccn2)C(=O)c2sccc2S1(=O)=O
inchi:
InChI=1S/C13H11N3O4S2/c1-16-10(13(18)15-9-4-2-3-6-14-9)11(17)12-8(5-7-21-12)22(16,19)20/h2-7,18H,1H3,(H,14,15)/b13-10-


name: Tris[(2-methoxymethylethoxy)propyl] orthoborate
cas: 59817-49-1
dtxsid: DTXSID50975214
formula: C21H45BO9
inchikey: KWSWSNSTXCTLPR-UHFFFAOYSA-N
norman_susdat_id: NS00056387
pubchem_cid: 108394
smiles: O(B(OCC(OCC(OC)C)C)OCC(OCC(OC)C)C)CC(OCC(OC)C)C
inchi:
InChI=1/C21H45BO9/c1-16(23-7)10-26-19(4)13-29-22(30-14-20(5)27-11-17(2)24-8)31-15-21(6)28-12-18(3)25-9/h16-21H,10-15H2,1-9H3


name: [2-(diphenylmethoxy)ethyl]diethylmethylammonium iodide
cas: 5982-52-5
dtxsid: DTXSID70975216
formula: C20H28NO
inchikey: HKOZYKMXXBHEHT-UHFFFAOYSA-M
norman_susdat_id: NS00046260
pubchem_cid: 80084
smiles: [I-].O(CC[N+](C)(CC)CC)C(C=1C=CC=CC1)C=2C=CC=CC2
inchi:
InChI=1/C20H28NO.HI/c1-4-21(3,5-2)16-17-22-20(18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,20H,4-5,16-17H2,1-3H3;1H/q+1;/p-1


name: Ethylbis(3-phenylpropyl)ammonium chloride
cas: 5982-87-6
chebiid: CHEBI:53786
formula: C20H27N.ClH
inchikey: ZKRKHXXSBDSIKQ-UHFFFAOYSA-N
norman_susdat_id: NS00082720
smiles: [Cl-].CC[NH+](CCCc1ccccc1)CCCc2ccccc2
inchi:
InChI=1/C20H27N.ClH/c1-2-21(17-9-15-19-11-5-3-6-12-19)18-10-16-20-13-7-4-8-14-20;/h3-8,11-14H,2,9-10,15-18H2,1H3;1H


name: 1-[2-[[2-chloro-4-[(4-nitrophenyl)azo]phenyl]amino]ethyl]pyridinium chloride
cas: 59827-64-4
formula: C19H18ClN5O2
inchikey: PRKUAXNXQUIEJB-UHFFFAOYSA-M
norman_susdat_id: NS00055967
pubchem_cid: 6453861
smiles: [Cl-].O=[N+]([O-])C1=CC=C(N=NC2=CC=C(NCC[N+]=3C=CC=CC3)C(Cl)=C2)C=C1
inchi:
InChI=1/C19H17ClN5O2.ClH/c20-18-14-16(23-22-15-4-7-17(8-5-15)25(26)27)6-9-19(18)21-10-13-24-11-2-1-3-12-24;/h1-9,11-12,14,21H,10,13H2;1H/q+1;/p-1


name: Methyl stearate, monocarboxy derivative
cas: 59829-80-0
formula: C20H38O4
inchikey: FALIQVJUFLUBRC-UHFFFAOYSA-N
norman_susdat_id: NS00057264
pubchem_cid: 21437765
smiles: O=C(O)C(C(=O)OC)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C20H38O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19(21)22)20(23)24-2/h18H,3-17H2,1-2H3,(H,21,22)


name: Salicylic acid, compound with 3-[(1-benzyl-1H-indazol-3-yl)oxy]-N,N-dimethylpropylamine (1:1)
cas: 59831-61-7
formula: C19H23N3O.C7H6O3
inchikey: MMGMKRLMAKKJLE-UHFFFAOYSA-N
norman_susdat_id: NS00088358
smiles: CN(C)CCCOc1nn(Cc2ccccc2)c3ccccc13.OC(=O)c4ccccc4O
inchi:
InChI=1/C19H23N3O.C7H6O3/c1-21(2)13-8-14-23-19-17-11-6-7-12-18(17)22(20-19)15-16-9-4-3-5-10-16;8-6-4-2-1-3-5(6)7(9)10/h3-7,9-12H,8,13-15H2,1-2H3;1-4,8H,(H,9,10)


name: Milenperone
cas: 59831-64-0
dtxsid: DTXSID60208560
formula: C22H23ClFN3O2
inchikey: DBESQBZOXMCXPV-UHFFFAOYSA-N
norman_susdat_id: NS00056388
pubchem_cid: 65489
smiles: O=C1NC2=CC(Cl)=CC=C2N1CCCN3CCC(C(=O)C4=CC=C(F)C=C4)CC3
inchi:
InChI=1/C22H23ClFN3O2/c23-17-4-7-20-19(14-17)25-22(29)27(20)11-1-10-26-12-8-16(9-13-26)21(28)15-2-5-18(24)6-3-15/h2-7,14,16H,1,8-13H2,(H,25,29)


name: 6-amino-5-[(4-aminophenyl)azo]-4-hydroxynaphthalene-2-sulphonic acid
cas: 59836-94-1
dtxsid: DTXSID50975234
formula: C16H14N4O4S
inchikey: SEBMYYJENAJZOW-UHFFFAOYSA-N
norman_susdat_id: NS00057265
pubchem_cid: 108844
smiles: O=S(=O)(O)C1=CC(O)=C2C(N=NC3=CC=C(N)C=C3)=C(N)C=CC2=C1
inchi:
InChI=1/C16H14N4O4S/c17-10-2-4-11(5-3-10)19-20-16-13(18)6-1-9-7-12(25(22,23)24)8-14(21)15(9)16/h1-8,21H,17-18H2,(H,22,23,24)


name: 2-acetyl-1,2,3,4-tetrahydro-6-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-7-methoxyisoquinoline
cas: 59839-39-3
dtxsid: DTXSID90975238
formula: C18H28N2O4
inchikey: BMVPUDSSHJZURY-UHFFFAOYSA-N
norman_susdat_id: NS00057280
pubchem_cid: 108396
smiles: O=C(N1CC2=CC(OC)=C(OCC(O)CNC(C)C)C=C2CC1)C
inchi:
InChI=1/C18H28N2O4/c1-12(2)19-9-16(22)11-24-18-7-14-5-6-20(13(3)21)10-15(14)8-17(18)23-4/h7-8,12,16,19,22H,5-6,9-11H2,1-4H3


name: (9Z,12Z,15Z)-N,N-bis(2-hydroxyethyl)-9,12,15-octadecatrienamide
cas: 59846-11-6
dtxsid: DTXSID50886371
formula: C22H39NO3
inchikey: VHFVFDNVBQGNQX-PDBXOOCHSA-N
norman_susdat_id: NS00055968
pubchem_cid: 6437408
smiles: O=C(N(CCO)CCO)CCCCCCCC=CCC=CCC=CCC
inchi:
InChI=1/C22H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)23(18-20-24)19-21-25/h3-4,6-7,9-10,24-25H,2,5,8,11-21H2,1H3


name: Ammonium camphorate
cas: 5985-93-3
formula: C10H16O4.H3N
inchikey: AWGMVSRVPYYILT-UHFFFAOYSA-N
norman_susdat_id: NS00082364
smiles: [NH4+].[NH4+].CC1(C)C(CCC1(C)C(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C10H16O4.2H3N/c1-9(2)6(7(11)12)4-5-10(9,3)8(13)14;;/h6H,4-5H2,1-3H3,(H,11,12)(H,13,14);2*1H3


cas: 59852-65-2
dtxsid: DTXSID10886372
formula: C23HF47O7
inchikey: FRXPWPKRXZUZRK-UHFFFAOYSA-N
norman_susdat_id: NS00109297
name:
3,6,9,12,15,18,21-Heptaoxatetracosane, 1,1,1,2,4,4,5,7,7,8,10,10,11,13,13,14,16,16,17,19,19,20,22,22,23,23,24,24,24-nonacosafluoro-5,8,11,14,17,20-hexakis(trifluoromethyl)-

inchi:
InChI=1/C23HF47O7/c24-1(2(25,26)27)71-18(59,60)4(30,11(39,40)41)73-20(63,64)6(32,13(45,46)47)75-22(67,68)8(34,15(51,52)53)77-23(69,70)9(35,16(54,55)56)76-21(65,66)7(33,14(48,49)50)74-19(61,62)5(31,12(42,43)44)72-17(57,58)3(28,29)10(36,37)38/h1H

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


name: Benzonitrile, 4-(5-heptyl-2-pyrimidinyl)-
cas: 59854-97-6
chemspiderid: 97882
dtxsid: DTXSID7069366
formula: C18H21N3
inchikey: VSNGFYYRBATOTN-UHFFFAOYSA-N
norman_susdat_id: NS00034254
pubchem_cid: 108846
smiles: CCCCCCCc1cnc(nc1)c1ccc(cc1)C#N
inchi:
InChI=1S/C18H21N3/c1-2-3-4-5-6-7-16-13-20-18(21-14-16)17-10-8-15(12-19)9-11-17/h8-11,13-14H,2-7H2,1H3


name: (1R,4S,4aS,6R,8aS)-4,8a,9,9-Tetramethyloctahydro-1,6-methanonaphthalen-1(2H)-ol
cas: 5986-55-0
chemspiderid: 455259
dtxsid: DTXSID9052266
formula: C15H26O1
inchikey: GGHMUJBZYLPWFD-UHFFFAOYSA-N
norman_susdat_id: NS00013072
pubchem_cid: 521903
smiles: C[C@H]1CCC2(O)C(C)(C)C3CC[C@@]2(C)C1C3
inchi:
InChI=1S/C15H26O/c1-10-5-8-15(16)13(2,3)11-6-7-14(15,4)12(10)9-11/h10-12,16H,5-9H2,1-4H3/t10-,11?,12?,14-,15?/m0/s1


name: Feruloyl Coenzyme A
cas: 59862-14-5
formula: C31H44N7O20P3S
inchikey: ILSPFIPSQSFPCN-VYBUCKLUSA-N
norman_susdat_id: NS00073498
pubchem_cid: 44229079
inchi:
InChI=1S/C31H44N7O20P3S/c1-31(2,26(44)29(45)34-7-6-20(40)33-8-9-62-21(41)5-4-16-10-17(39)23(42)18(11-16)53-3)13-55-61(51,52)58-60(49,50)54-12-19-25(57-59(46,47)48)24(43)30(56-19)38-15-37-22-27(32)35-14-36-28(22)38/h4-5,10-11,14-15,19,24-26,30,39,42-44H,6-9,12-13H2,1-3H3,(H,33,40)(H,34,45)(H,49,50)(H,51,52)(H2,32,35,36)(H2,46,47,48)/b5-4+/t19-,24-,25-,26+,30-/m1/s1

smiles:
COc1cc(/C=C/C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@@](=O)(O)O[P@@](=O)(O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2OP(=O)(O)O)cc(O)c1O


name: Cyclosporin A
cas: 59865-13-3
chemspiderid: 4444325
dtxsid: DTXSID0020365
formula: C62H111N11O12
inchikey: PMATZTZNYRCHOR-IMVLJIQESA-N
norman_susdat_id: NS00003734
pubchem_cid: 5280754
inchi:
InChI=1S/C62H111N11O12/c1-25-27-28-40(15)52(75)51-56(79)65-43(26-2)58(81)67(18)33-48(74)68(19)44(29-34(3)4)55(78)66-49(38(11)12)61(84)69(20)45(30-35(5)6)54(77)63-41(16)53(76)64-42(17)57(80)70(21)46(31-36(7)8)59(82)71(22)47(32-37(9)10)60(83)72(23)50(39(13)14)62(85)73(51)24/h25,27,34-47,49-52,75H,26,28-33H2,1-24H3,(H,63,77)(H,64,76)(H,65,79)(H,66,78)/b27-25+

smiles:
CCC1NC(=O)C(C(O)C(C)CC=CC)N(C)C(=O)C(C(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(CC(C)C)N(C)C(=O)C(C)NC(=O)C(C)NC(=O)C(CC(C)C)N(C)C(=O)C(NC(=O)C(CC(C)C)N(C)C(=O)CN(C)C1=O)C(C)C


name: N2-(1-oxohexadecyl)-L-lysine
cas: 59866-71-6
dtxsid: DTXSID00975269
formula: C22H44N2O3
inchikey: OLDGKSQBWGEFNM-FQEVSTJZSA-N
norman_susdat_id: NS00056389
pubchem_cid: 108851
smiles: O=C(NC(C(=O)O)CCCCN)CCCCCCCCCCCCCCC
inchi:
InChI=1/C22H44N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21(25)24-20(22(26)27)17-15-16-19-23/h20H,2-19,23H2,1H3,(H,24,25)(H,26,27)


name: 2-(diethylamino)ethyl 4-amino-3-butoxybenzoate hydrochloride
cas: 5987-82-6
chebiid: CHEBI:31260
formula: C17H28N2O3.ClH
inchikey: PRGUDWLMFLCODA-UHFFFAOYSA-N
norman_susdat_id: NS00082365
smiles: Cl.CCCCOc1cc(ccc1N)C(=O)OCCN(CC)CC
inchi:
InChI=1/C17H28N2O3.ClH/c1-4-7-11-21-16-13-14(8-9-15(16)18)17(20)22-12-10-19(5-2)6-3;/h8-9,13H,4-7,10-12,18H2,1-3H3;1H


name: Glabridin
cas: 59870-68-7
chebiid: CHEBI:5369
chemspiderid: 110560
dtxsid: DTXSID00208589
formula: C20H20O4
inchikey: LBQIJVLKGVZRIW-ZDUSSCGKSA-N
norman_susdat_id: NS00034259
pubchem_cid: 124052
smiles: CC1(C)OC2=C(C=C1)C1=C(C[C@@H](CO1)C1=C(O)C=C(O)C=C1)C=C2
inchi:
InChI=1S/C20H20O4/c1-20(2)8-7-16-18(24-20)6-3-12-9-13(11-23-19(12)16)15-5-4-14(21)10-17(15)22/h3-8,10,13,21-22H,9,11H2,1-2H3/t13-/m0/s1


name: Zopiclone,Â desmethyl
cas: 59878-63-6
chemspiderid: 143002
formula: C16H15Cl1N6O3
inchikey: CGSFZSTXVVJLIX-UHFFFAOYSA-N
norman_susdat_id: NS00005950
pubchem_cid: 162892
smiles: Clc1ccc(nc1)N1C(OC(=O)N2CCNCC2)c2nccnc2C1=O
inchi:
InChI=1S/C16H15ClN6O3/c17-10-1-2-11(21-9-10)23-14(24)12-13(20-4-3-19-12)15(23)26-16(25)22-7-5-18-6-8-22/h1-4,9,15,18H,5-8H2


name: (2-hydroxyethyl)dimethylammonium hydrogen tartrate
cas: 5988-51-2
formula: C4H11NO.C4H6O6
inchikey: UIEGYKVRCKDVKQ-UHFFFAOYSA-M
norman_susdat_id: NS00081916
smiles: C[NH+](C)CCO.OC(C(O)C(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C4H11NO.C4H6O6/c1-5(2)3-4-6;5-1(3(7)8)2(6)4(9)10/h6H,3-4H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/p-1


name: Cucurbitacin C
cas: 5988-76-1
chebiid: CHEBI:3942
chemspiderid: 4444694
dtxsid: DTXSID90208593
formula: C32H48O8
inchikey: DGIGXLXLGBAJJN-TUOUHCSQSA-N
norman_susdat_id: NS00094843
pubchem_cid: 5281317
inchi:
InChI=1S/C32H48O8/c1-18(34)40-27(2,3)14-13-24(37)31(8,39)26-21(35)15-29(6)22-11-9-19-20(10-12-23(36)28(19,4)5)32(22,17-33)25(38)16-30(26,29)7/h9,13-14,20-23,26,33,35-36,39H,10-12,15-17H2,1-8H3/b14-13+/t20-,21-,22+,23+,26+,29+,30-,31+,32+/m1/s1

smiles:
CC(=O)OC(C)(C)C=CC(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](CC[C@H](O)C4(C)C)[C@]3(CO)C(=O)C[C@]12C


name: [1S-(1a,3aß,4a,8aß)]-2-(decahydro-4,8,8-trimethyl-1,4-methanoazulen-9-ylidene)ethanol
cas: 5989-05-9
dtxsid: DTXSID90884210
formula: C16H26O
inchikey: XUMDBSUTEGMQRC-UHFFFAOYSA-N
norman_susdat_id: NS00046975
pubchem_cid: 73555194
smiles: OCC=C1C2CCC3C2C(C)(C)CCCC13C
inchi:
InChI=1/C16H26O/c1-15(2)8-4-9-16(3)12(7-10-17)11-5-6-13(16)14(11)15/h7,11,13-14,17H,4-6,8-10H2,1-3H3


name: Prednylidene [INN:BAN:DCF]
cas: 599-33-7
chemspiderid: 11247
dtxsid: DTXSID50208610
formula: C22H28O5
inchikey: WSVOMANDJDYYEY-UHFFFAOYSA-N
norman_susdat_id: NS00008901
pubchem_cid: 11740
smiles: CC12CC(O)C3C(CCC4=CC(=O)C=CC34C)C1CC(=C)C2(O)C(=O)CO
inchi:
InChI=1S/C22H28O5/c1-12-8-16-15-5-4-13-9-14(24)6-7-20(13,2)19(15)17(25)10-21(16,3)22(12,27)18(26)11-23/h6-7,9,15-17,19,23,25,27H,1,4-5,8,10-11H2,2-3H3


name: Sulfasalazine
cas: 599-79-1
chemspiderid: 10481900
dtxsid: DTXSID0021256
formula: C18H14N4O5S1
inchikey: NCEXYHBECQHGNR-UHFFFAOYSA-N
norman_susdat_id: NS00011872
pubchem_cid: NA
smiles: C1=CC=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O
inchi:
InChI=1S/C18H14N4O5S/c23-16-9-6-13(11-15(16)18(24)25)21-20-12-4-7-14(8-5-12)28(26,27)22-17-3-1-2-10-19-17/h1-11,23H,(H,19,22)(H,24,25)


name: Potassium 7-chloro-2,3-dihydro-2-oxo-5-phenyl-1H-1,4-benzodiazepine-3-carboxylate
cas: 5991-71-9
chebiid: CHEBI:59591
formula: C16H11ClN2O3.K
inchikey: ULEUKTXFAJZAAV-UHFFFAOYSA-M
norman_susdat_id: NS00082733
smiles: [K+].[O-]C(=O)C1N=C(c2ccccc2)c3cc(Cl)ccc3NC1=O
inchi:
InChI=1/C16H11ClN2O3.K/c17-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)19-14(16(21)22)15(20)18-12;/h1-8,14H,(H,18,20)(H,21,22);/q;+1/p-1


name: 2,2'-Methylenebis(4,6-bis((dimethylamino)methyl)phenol)
cas: 59917-57-6
chemspiderid: 97893
dtxsid: DTXSID90208634
formula: C25H40N4O2
inchikey: AVNDZZHKCFPIKB-UHFFFAOYSA-N
norman_susdat_id: NS00034267
pubchem_cid: 108858
smiles: CN(C)Cc1cc(CN(C)C)c(O)c(Cc2c(O)c(CN(C)C)cc(CN(C)C)c2)c1
inchi:
InChI=1S/C25H40N4O2/c1-26(2)14-18-9-20(24(30)22(11-18)16-28(5)6)13-21-10-19(15-27(3)4)12-23(25(21)31)17-29(7)8/h9-12,30-31H,13-17H2,1-8H3


name: Tramadol met 5 -277
cas: 599198-16-0
chemspiderid: NA
formula: C16H23N1O3
inchikey: GUZREWBYXXOEKB-UHFFFAOYSA-N
norman_susdat_id: NS00000924
pubchem_cid: NA
smiles: C1(C(CN(C)C)C(CCC1)=O)(O)c2cc(OC)ccc2
inchi:
InChI=1S/C16H23NO3/c1-17(2)11-14-15(18)8-5-9-16(14,19)12-6-4-7-13(10-12)20-3/h4,6-7,10,14,19H,5,8-9,11H2,1-3H3


name: N-[N-[(benzyloxy)carbonyl]-L-valyl]-L-tyrosinohydrazide
cas: 5992-90-5
dtxsid: DTXSID70975337
formula: C22H28N4O5
inchikey: MXPWFEYHDRBDHR-UHFFFAOYSA-N
norman_susdat_id: NS00047555
pubchem_cid: 4440780
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)NC(C(=O)NN)CC2=CC=C(O)C=C2)C(C)C
inchi:
InChI=1/C22H28N4O5/c1-14(2)19(25-22(30)31-13-16-6-4-3-5-7-16)21(29)24-18(20(28)26-23)12-15-8-10-17(27)11-9-15/h3-11,14,18-19,27H,12-13,23H2,1-2H3,(H,24,29)(H,25,30)(H,26,28)


name: Tetracosane-8,17-diamine
cas: 59936-53-7
dtxsid: DTXSID90975359
formula: C24H52N2
inchikey: YQIBIVKPZIOLTN-UHFFFAOYSA-N
norman_susdat_id: NS00055491
pubchem_cid: 108408
smiles: NC(CCCCCCC)CCCCCCCCC(N)CCCCCCC
inchi:
InChI=1/C24H52N2/c1-3-5-7-11-15-19-23(25)21-17-13-9-10-14-18-22-24(26)20-16-12-8-6-4-2/h23-24H,3-22,25-26H2,1-2H3


name: Benzoic acid, 4-[(octadecylamino)carbonyl]-, monosodium salt
cas: 5994-45-6
chemspiderid: 72340
dtxsid: DTXSID7064077
formula: C26H43N1O3
inchikey: OFXWMRZFGHOKKH-UHFFFAOYSA-M
norman_susdat_id: NS00020673
pubchem_cid: 23670836
smiles: [Na+].CCCCCCCCCCCCCCCCCCNC(=O)c1ccc(cc1)C(=O)[O-]
inchi:
InChI=1S/C26H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-27-25(28)23-18-20-24(21-19-23)26(29)30/h18-21H,2-17,22H2,1H3,(H,27,28)(H,29,30)


name: [(heptylimino)bis(methylene)]bisphosphonic acid
cas: 5995-30-2
dtxsid: DTXSID50208655
formula: C9H23NO6P2
inchikey: GIFYDPWFQBDXKA-UHFFFAOYSA-N
norman_susdat_id: NS00047019
pubchem_cid: 80097
smiles: O=P(O)(O)CN(CCCCCCC)CP(=O)(O)O
inchi:
InChI=1/C9H23NO6P2/c1-2-3-4-5-6-7-10(8-17(11,12)13)9-18(14,15)16/h2-9H2,1H3,(H2,11,12,13)(H2,14,15,16)


name: [(octylimino)bis(methylene)]bisphosphonic acid
cas: 5995-31-3
dtxsid: DTXSID70975372
formula: C10H25NO6P2
inchikey: YUABCDNZADIENZ-UHFFFAOYSA-N
norman_susdat_id: NS00047020
pubchem_cid: 80098
smiles: O=P(O)(O)CN(CCCCCCCC)CP(=O)(O)O
inchi:
InChI=1/C10H25NO6P2/c1-2-3-4-5-6-7-8-11(9-18(12,13)14)10-19(15,16)17/h2-10H2,1H3,(H2,12,13,14)(H2,15,16,17)


name: [(dodecylimino)bis(methylene)]bisphosphonic acid
cas: 5995-33-5
dtxsid: DTXSID10208656
formula: C14H33NO6P2
inchikey: JKCMTSPAYIZSGR-UHFFFAOYSA-N
norman_susdat_id: NS00046307
pubchem_cid: 80099
smiles: O=P(O)(O)CN(CCCCCCCCCCCC)CP(=O)(O)O
inchi:
InChI=1/C14H33NO6P2/c1-2-3-4-5-6-7-8-9-10-11-12-15(13-22(16,17)18)14-23(19,20)21/h2-14H2,1H3,(H2,16,17,18)(H2,19,20,21)


name: [(tetradecylimino)bis(methylene)]diphosphonic acid
cas: 5995-34-6
formula: C16H37NO6P2
inchikey: ANMMXBKZQYAUII-UHFFFAOYSA-N
norman_susdat_id: NS00082764
smiles: CCCCCCCCCCCCCCN(CP(=O)(O)O)CP(=O)(O)O
inchi:
InChI=1/C16H37NO6P2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17(15-24(18,19)20)16-25(21,22)23/h2-16H2,1H3,(H2,18,19,20)(H2,21,22,23)


cas: 5995-96-0
dtxsid: DTXSID30208658
formula: C15H21N3O3
inchikey: ANZYOGDQEPQZOI-SLHAJLBXSA-N
norman_susdat_id: NS00047031
pubchem_cid: 9845512
smiles: O=C(O)C=1C=CC=CC1O.O=C(OC1=CC=C2C(=C1)C3(C)CCN(OC3N2C)C)NC
name:
Salicylic acid, compound with (4aS-cis)-2,3,4,4a,9,9a-hexahydro-2,4a,9-trimethyl-1,2-oxazino[6,5-b]indol-6-yl methylcarbamate (1:1)

inchi:
InChI=1/C15H21N3O3.C7H6O3/c1-15-7-8-17(3)21-13(15)18(4)12-6-5-10(9-11(12)15)20-14(19)16-2;8-6-4-2-1-3-5(6)7(9)10/h5-6,9,13H,7-8H2,1-4H3,(H,16,19);1-4,8H,(H,9,10)


name: Thymidine 5'-monophosphate, monoanhydride with (phosphonomethyl)phosphonic acid
cas: 59957-94-7
dtxsid: DTXSID60975381
formula: C11H19N2O13P3
inchikey: HEDAITKJNKXWIZ-UHFFFAOYSA-N
norman_susdat_id: NS00056449
pubchem_cid: 3386161
smiles: O=C1NC(=O)N(C=C1C)C2OC(COP(=O)(O)OP(=O)(O)CP(=O)(O)O)C(O)C2
inchi:
InChI=1/C11H19N2O13P3/c1-6-3-13(11(16)12-10(6)15)9-2-7(14)8(25-9)4-24-29(22,23)26-28(20,21)5-27(17,18)19/h3,7-9,14H,2,4-5H2,1H3,(H,20,21)(H,22,23)(H,12,15,16)(H2,17,18,19)


name: Calcium L-glutamate (1:2)
cas: 5996-22-5
formula: C5H9NO4.1/2Ca
inchikey: ZKUDDWCZGPUNQH-MINUCSRNSA-J
norman_susdat_id: NS00082373
smiles: [CaH2].N[C@@H](CCC(=O)[O-])C(=O)[O-].N[C@@H](CCC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/2C5H9NO4.Ca.2H/c2*6-3(5(9)10)1-2-4(7)8;;;/h2*3H,1-2,6H2,(H,7,8)(H,9,10);;;/q;;+2;;/p-4/r2C5H9NO4.CaH2/c2*6-3(5(9)10)1-2-4(7)8;/h2*3H,1-2,6H2,(H,7,8)(H,9,10);1H2/q;;+2/p-4


name: Sodium 5,5-diethyl-1-phenylbarbiturate
cas: 59960-26-8
formula: C14H16N2O3.Na
inchikey: XMBUSMPNPGGMHG-UHFFFAOYSA-M
norman_susdat_id: NS00087956
smiles: [Na+].CCC1(CC)C(=O)N=C([O-])N(C1=O)c2ccccc2
inchi:
InChI=1/C14H16N2O3.Na/c1-3-14(4-2)11(17)15-13(19)16(12(14)18)10-8-6-5-7-9-10;/h5-9H,3-4H2,1-2H3,(H,15,17,19);/q;+1/p-1


name: Sodium 5-ethyl-1-phenylbarbiturate
cas: 59960-28-0
formula: C12H12N2O3.Na
inchikey: PAQBSHLZZLQUKS-UHFFFAOYSA-M
norman_susdat_id: NS00087903
smiles: [Na+].CCC1C(=O)N=C([O-])N(C1=O)c2ccccc2
inchi:
InChI=1/C12H12N2O3.Na/c1-2-9-10(15)13-12(17)14(11(9)16)8-6-4-3-5-7-8;/h3-7,9H,2H2,1H3,(H,13,15,17);/q;+1/p-1


name: Sodium 1-cyclohexyl-5-ethylbarbiturate
cas: 59960-29-1
formula: C12H18N2O3.Na
inchikey: VFTILSBBLXWMQK-UHFFFAOYSA-M
norman_susdat_id: NS00087701
smiles: [Na+].CCC1C(=O)N=C([O-])N(C2CCCCC2)C1=O
inchi:
InChI=1/C12H18N2O3.Na/c1-2-9-10(15)13-12(17)14(11(9)16)8-6-4-3-5-7-8;/h8-9H,2-7H2,1H3,(H,13,15,17);/q;+1/p-1


name: Bis(2-ethylhexyl) hydrogen phosphate, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 59965-28-5
formula: C16H35O4P.C6H15NO3
inchikey: AXYIBFPMPQBHTE-UHFFFAOYSA-N
norman_susdat_id: NS00087957
smiles: CCCCC(CC)COP(=O)(O)OCC(CC)CCCC.OCCN(CCO)CCO
inchi:
InChI=1/C16H35O4P.C6H15NO3/c1-5-9-11-15(7-3)13-19-21(17,18)20-14-16(8-4)12-10-6-2;8-4-1-7(2-5-9)3-6-10/h15-16H,5-14H2,1-4H3,(H,17,18);8-10H,1-6H2


name: 1-Amino-4-((4-chloro-3-sulphophenyl)amino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid
cas: 59969-87-8
chemspiderid: 97899
dtxsid: DTXSID00208685
formula: C20H13Cl1N2O8S2
inchikey: KGIBPJBSPMINCA-UHFFFAOYSA-N
norman_susdat_id: NS00034273
pubchem_cid: 108864
smiles: Nc1c2C(=O)c3c(cccc3)C(=O)c2c(Nc2cc(c(Cl)cc2)S(=O)(=O)O)cc1S(=O)(=O)O
inchi:
InChI=1S/C20H13ClN2O8S2/c21-12-6-5-9(7-14(12)32(26,27)28)23-13-8-15(33(29,30)31)18(22)17-16(13)19(24)10-3-1-2-4-11(10)20(17)25/h1-8,23H,22H2,(H,26,27,28)(H,29,30,31)


name: SODIUM PHENYLBENZI- MIDAZOLE SULFONATE
cas: 5997-53-5
chemspiderid: 4383438
formula: C23H22Cl2N4O3
inchikey: IGSGLLWINDOSIF-UHFFFAOYSA-N
norman_susdat_id: NS00014087
pubchem_cid: 5212675
smiles: CN(CC(=O)N1CCCCC1c2onc(n2)c3cccc(Cl)c3)C(=O)c4ccc(Cl)cc4
inchi:
InChI=1S/C23H22Cl2N4O3/c1-28(23(31)15-8-10-17(24)11-9-15)14-20(30)29-12-3-2-7-19(29)22-26-21(27-32-22)16-5-4-6-18(25)13-16/h4-6,8-11,13,19H,2-3,7,12,14H2,1H3


name: C18 Alcohol, predominately linear, 4 EO
cas: 59970-10-4
chemspiderid: 267709
formula: C26H54O5
inchikey: HEZHDXIJQPSERX-UHFFFAOYSA-N
norman_susdat_id: NS00095672
pubchem_cid: 302868
smiles: OCCOCCOCCOCCOCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C26H54O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28-21-23-30-25-26-31-24-22-29-20-18-27/h27H,2-26H2,1H3


name: Disodium 2-[(2-hydroxynaphthyl)azo]naphthalene-1,5-disulphonate
cas: 59970-88-6
formula: C20H14N2O7S2.2Na
inchikey: AZMFCRZJELRHQH-UHFFFAOYSA-L
norman_susdat_id: NS00087904
smiles: [Na+].[Na+].[O-]S(=O)(=O)c4cccc3c4ccc(N=Nc1c2ccccc2ccc1O)c3S([O-])(=O)=O
inchi:
InChI=1/C20H14N2O7S2.2Na/c23-17-11-8-12-4-1-2-5-13(12)19(17)22-21-16-10-9-14-15(20(16)31(27,28)29)6-3-7-18(14)30(24,25)26;;/h1-11,23H,(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2


cas: 59970-93-3
formula: C24H18ClN7O10S3
inchikey: RHCNKYFCCIPCLC-UHFFFAOYSA-L
norman_susdat_id: NS00055096
pubchem_cid: 94661
name:
Disodium hydrogen 2-[[6-[(4-amino-6-chloro-1,3,5-triazin-2-yl)methylamino]-1-hydroxy-3-sulphonato-2-naphthyl]azo]naphthalene-1,5-disulphonate

inchi:
InChI=1/C24H18ClN7O10S3.2Na.H2/c1-32(24-28-22(25)27-23(26)29-24)12-5-6-13-11(9-12)10-18(44(37,38)39)19(20(13)33)31-30-16-8-7-14-15(21(16)45(40,41)42)3-2-4-17(14)43(34,35)36;;;/h2-10,33H,1H3,(H,34,35,36)(H,37,38,39)(H,40,41,42)(H2,26,27,28,29);;;1H/q;3*+1/p-3

smiles:
[H+].[Na+].[Na+].O=S(=O)([O-])C1=CC=CC=2C1=CC=C(N=NC=3C(O)=C4C=CC(=CC4=CC3S(=O)(=O)[O-])N(C=5N=C(Cl)N=C(N5)N)C)C2S(=O)(=O)[O-]


name: Phenyl ditetradecyl phosphite
cas: 59972-95-1
dtxsid: DTXSID10886377
formula: C34H63O3P
inchikey: TVCOTRALWFHIOO-UHFFFAOYSA-N
norman_susdat_id: NS00055097
pubchem_cid: 20512072
smiles: O(C=1C=CC=CC1)P(OCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC
inchi:
InChI=1/C34H63O3P/c1-3-5-7-9-11-13-15-17-19-21-23-28-32-35-38(37-34-30-26-25-27-31-34)36-33-29-24-22-20-18-16-14-12-10-8-6-4-2/h25-27,30-31H,3-24,28-29,32-33H2,1-2H3


name: Exisulind
cas: 59973-80-7
chebiid: CHEBI:64212
dtxsid: DTXSID6040246
formula: C20H17FO4S
inchikey: MVGSNCBCUWPVDA-MFOYZWKCSA-N
norman_susdat_id: NS00070539
pubchem_cid: 5472495
smiles: CC1=C(CC(=O)O)c2cc(F)ccc2/C1=Cc1ccc(S(C)(=O)=O)cc1
inchi:
InChI=1S/C20H17FO4S/c1-12-17(9-13-3-6-15(7-4-13)26(2,24)25)16-8-5-14(21)10-19(16)18(12)11-20(22)23/h3-10H,11H2,1-2H3,(H,22,23)/b17-9-


name: Tagitinin A
cas: 59979-61-2
chemspiderid: 157691
dtxsid: DTXSID80975404
formula: C19H28O7
inchikey: HREHFPZHVCNOMQ-UHFFFAOYSA-N
norman_susdat_id: NS00067893
pubchem_cid: 181254
inchi:
InChI=1S/C19H28O7/c1-9(2)16(21)25-13-7-18(5)14(20)8-19(23,26-18)10(3)6-12-15(13)11(4)17(22)24-12/h9-10,12-15,20,23H,4,6-8H2,1-3,5H3


name: (E)-(3-chloro-2-hydroxy-5-nonylphenyl) phenyl ketone oxime
cas: 59986-59-3
dtxsid: DTXSID30886379
formula: C22H28ClNO2
inchikey: FGTCYTZEIKWZRE-UHFFFAOYSA-N
norman_susdat_id: NS00055098
pubchem_cid: 108868
smiles: ClC=1C=C(C=C(C1O)C(=NO)C=2C=CC=CC2)CCCCCCCCC
inchi:
InChI=1/C22H28ClNO2/c1-2-3-4-5-6-7-9-12-17-15-19(22(25)20(23)16-17)21(24-26)18-13-10-8-11-14-18/h8,10-11,13-16,25-26H,2-7,9,12H2,1H3


cas: 59989-20-7
dtxsid: DTXSID60975407
formula: C9H10N4O3
inchikey: LJMXVGHKQJDECE-UHFFFAOYSA-N
norman_susdat_id: NS00055492
pubchem_cid: 6453886
smiles: O=C1C2=C(N=CN2C(=O)C)N(C(=O)N1C)C.OC(C)(C)CCCC(N)C
name:
7-acetyl-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione, compound with 6-amino-2-methylheptan-2-ol (1:1)

inchi:
InChI=1/C9H10N4O3.C8H19NO/c1-5(14)13-4-10-7-6(13)8(15)12(3)9(16)11(7)2;1-7(9)5-4-6-8(2,3)10/h4H,1-3H3;7,10H,4-6,9H2,1-3H3


name: Ethylenediaminetetraacetic acid (EDTA)
cas: 60-00-4
chebiid: CHEBI:42191
chemspiderid: 5826
dtxsid: DTXSID6022977
formula: C10H16N2O8
inchikey: KCXVZYZYPLLWCC-UHFFFAOYSA-N
norman_susdat_id: NS00003929
pubchem_cid: 5232305
smiles: OC(=O)CN(CCN(CC(O)=O)CC(O)=O)CC(O)=O
eea_notation: CAS_60-00-4
inchi:
InChI=1S/C10H16N2O8/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)


name: Guanethidine sulfate
cas: 60-02-6
dtxsid: DTXSID7046966
formula: C10H26N4O8S2
inchikey: SBENMBSICFIYDM-UHFFFAOYSA-N
norman_susdat_id: NS00076393
smiles: OS(O)(=O)=O.OS(O)(=O)=O.NC(=N)NCCN1CCCCCCC1
inchi:
InChI=1S/C10H22N4.2H2O4S/c11-10(12)13-6-9-14-7-4-2-1-3-5-8-14;2*1-5(2,3)4/h1-9H2,(H4,11,12,13);2*(H2,1,2,3,4)


name: Linoleic acid
cas: 60-33-3
chebiid: CHEBI:17351
chemspiderid: 4444105
dtxsid: DTXSID2025505
formula: C18H32O2
inchikey: OYHQOLUKZRVURQ-HZJYTTRNSA-N
norman_susdat_id: NS00010521
pubchem_cid: 5280450
smiles: CCCCC/C=CC/C=CCCCCCCCC(=O)O
inchi:
InChI=1S/C18H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20)/b7-6-,10-9-


name: 5ß,14-dihydroxy-19-oxocard-20(22)enolide 3ß-acetate
cas: 60-38-8
formula: C25H34O7
inchikey: JLZAERUVCODZQO-UHFFFAOYSA-N
norman_susdat_id: NS00041225
pubchem_cid: 4419297
smiles: O=CC12CCC(OC(=O)C)CC2(O)CCC3C1CCC4(C)C(C5=CC(=O)OC5)CCC34O
inchi:
InChI=1/C25H34O7/c1-15(27)32-17-3-8-23(14-26)19-4-7-22(2)18(16-11-21(28)31-13-16)6-10-25(22,30)20(19)5-9-24(23,29)12-17/h11,14,17-20,29-30H,3-10,12-13H2,1-2H3


name: 11ß,17-dihydroxy-21-(4-methyl-1-piperazinyl)pregna-1,4-diene-3,20-dione monohydrochloride
cas: 60-39-9
dtxsid: DTXSID30975419
formula: C26H38N2O4
inchikey: OHMBNBZVSGNWEE-HEBJBRBZSA-N
norman_susdat_id: NS00041375
pubchem_cid: 6063
smiles: Cl.O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)CN5CCN(C)CC5)C4(C)CC(O)C32)C
inchi:
InChI=1/C26H38N2O4.ClH/c1-24-8-6-18(29)14-17(24)4-5-19-20-7-9-26(32,25(20,2)15-21(30)23(19)24)22(31)16-28-12-10-27(3)11-13-28;/h6,8,14,19-21,23,30,32H,4-5,7,9-13,15-16H2,1-3H3;1H


name: Strychnine sulphate
cas: 60-41-3
formula: C21H22N2O2.1/2H2O4S
inchikey: SQZRGLKZOYHTRV-ZEYGOCRCSA-N
norman_susdat_id: NS00078969
smiles: OS(=O)(=O)O.O=C1C[C@@H]2OCC=C3CN4CC[C@@]56[C@@H]4C[C@@H]3[C@@H]2[C@@H]5N1c7ccccc67
inchi:
InChI=1/C21H22N2O2.H2O4S/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21;1-5(2,3)4/h1-5,13,16-17,19-20H,6-11H2;(H2,1,2,3,4)


name: 2-(a-cyclopentyl-a-2-thienylglycolloyloxy)ethyldiethyl(methyl)ammonium bromide
cas: 60-44-6
chebiid: CHEBI:135447
dtxsid: DTXSID60875110
formula: C18H30NO3S
inchikey: NEMLPWNINZELKP-UHFFFAOYSA-N
norman_susdat_id: NS00041376
pubchem_cid: 6067
smiles: O=C(OCC[N+](C)(CC)CC)C(O)(C=1SC=CC1)C2CCCC2
inchi:
InChI=1/C18H30NO3S/c1-4-19(3,5-2)12-13-22-17(20)18(21,15-9-6-7-10-15)16-11-8-14-23-16/h8,11,14-15,21H,4-7,9-10,12-13H2,1-3H3/q+1


name: Aminopentamide
cas: 60-46-8
chemspiderid: 21159
dtxsid: DTXSID2057605
formula: C19H24N2O1
inchikey: NARHAGIVSFTMIG-UHFFFAOYNA-N
norman_susdat_id: NS00034359
pubchem_cid: NA
smiles: CC(CC(C(=O)N)(c1ccccc1)c1ccccc1)N(C)C
inchi:
InChI=1S/C19H24N2O/c1-15(21(2)3)14-19(18(20)22,16-10-6-4-7-11-16)17-12-8-5-9-13-17/h4-13,15H,14H2,1-3H3,(H2,20,22)/t15-/m1/s1


name: Tridihexethyl
cas: 60-49-1
chebiid: CHEBI:9701
chemspiderid: 19124
dtxsid: DTXSID0048553
formula: C21H36N1O1
inchikey: NPRHVSBSZMAEIN-UHFFFAOYSA-N
norman_susdat_id: NS00004501
pubchem_cid: 20299
smiles: CC[N+](CC)(CC)CCC(O)(C1CCCCC1)c1ccccc1
inchi:
InChI=1S/C21H36NO/c1-4-22(5-2,6-3)18-17-21(23,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7,9-10,13-14,20,23H,4-6,8,11-12,15-18H2,1-3H3/q+1


name: Tetracycline
cas: 60-54-8
chebiid: CHEBI:77932
chemspiderid: 10257122
dtxsid: DTXSID7023645
formula: C22H24N2O8
inchikey: OFVLGDICTFRJMM-WESIUVDSSA-N
norman_susdat_id: NS00000577
pubchem_cid: NA
smiles: C[C@]1(c2cccc(c2C(=O)C3=C([C@]4([C@@H](C[C@@H]31)[C@@H](C(=C(C4=O)C(=O)N)O)N(C)C)O)O)O)O
inchi:
InChI=1S/C22H24N2O8/c1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28/h4-6,9-10,15,25,27-28,31-32H,7H2,1-3H3,(H2,23,30)/t9-,10-,15-,21+,22-/m0/s1


name: Dieldrin
cas: 60-57-1
chebiid: CHEBI:34696
chemspiderid: 10292746
dtxsid: DTXSID9020453
formula: C12H8Cl6O
inchikey: DFBKLUNHFCTMDC-PICURKEMSA-N
norman_susdat_id: NS00098501
pubchem_cid: 969491
smiles: ClC1=C(Cl)[C@]2(Cl)[C@@H]3[C@@H]4C[C@@H]([C@H]5O[C@@H]45)[C@@H]3[C@@]1(Cl)C2(Cl)Cl
eea_notation: CAS_60-57-1
inchi:
InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4+,5-,6-,7+,10+,11-


name: Veratramine
cas: 60-70-8
chebiid: CHEBI:9951
chemspiderid: 5845
formula: C27H39N1O2
inchikey: MALFODICFSIXPO-KFKQDBFTSA-N
norman_susdat_id: NS00018021
pubchem_cid: 6070
smiles: CC1CC(C(NC1)C(C)C2=C(C3=C(C=C2)C4CC=C5CC(CCC5(C4C3)C)O)C)O
inchi:
InChI=1S/C27H39NO2/c1-15-11-25(30)26(28-14-15)17(3)20-7-8-21-22-6-5-18-12-19(29)9-10-27(18,4)24(22)13-23(21)16(20)2/h5,7-8,15,17,19,22,24-26,28-30H,6,9-14H2,1-4H3/t15-,17-,19-,22-,24-,25+,26-,27-/m0/s1


name: Ergonovine
cas: 60-79-7
chebiid: CHEBI:4822
chemspiderid: 391970
dtxsid: DTXSID8046323
formula: C19H23N3O2
inchikey: WVVSZNPYNCNODU-XTQGRXLLSA-N
norman_susdat_id: NS00001637
pubchem_cid: 443884
smiles: C[C@@H](CO)NC(=O)[C@H]1CN(C)[C@@H]2Cc3c[nH]c4cccc(C2=C1)c34
inchi:
InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13+,17+/m0/s1


name: Phlorizin
cas: 60-81-1
chebiid: CHEBI:8113
chemspiderid: 16498836
dtxsid: DTXSID3075339
formula: C21H24O10
inchikey: IOUVKUPGCMBWBT-QNDFHXLGSA-N
norman_susdat_id: NS00002475
pubchem_cid: 6072
smiles: OC[C@H]1O[C@@H](Oc2cc(O)cc(O)c2C(=O)CCc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C21H24O10/c22-9-16-18(27)19(28)20(29)21(31-16)30-15-8-12(24)7-14(26)17(15)13(25)6-3-10-1-4-11(23)5-2-10/h1-2,4-5,7-8,16,18-24,26-29H,3,6,9H2/t16-,18-,19+,20-,21-/m1/s1


name: 3-(4-Hydroxyphenyl)-1-(2,4,6-trihydroxyphenyl)propan-1-one
cas: 60-82-2
chebiid: CHEBI:17276
chemspiderid: 4624
dtxsid: DTXSID6022393
formula: C15H14O5
inchikey: VGEREEWJJVICBM-UHFFFAOYSA-N
norman_susdat_id: NS00006825
pubchem_cid: 4788
smiles: Oc1ccc(CCC(=O)c2c(O)cc(O)cc2O)cc1
inchi:
InChI=1S/C15H14O5/c16-10-4-1-9(2-5-10)3-6-12(18)15-13(19)7-11(17)8-14(15)20/h1-2,4-5,7-8,16-17,19-20H,3,6H2


name: Promethazine
cas: 60-87-7
chebiid: CHEBI:8461
chemspiderid: 4758
dtxsid: DTXSID7023518
formula: C17H20N2S1
inchikey: PWWVAXIEGOYWEE-UHFFFAOYSA-N
norman_susdat_id: NS00010423
pubchem_cid: 4927
smiles: CC(CN1C2=CC=CC=C2SC3=CC=CC=C31)N(C)C
inchi:
InChI=1S/C17H20N2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)20-17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3


name: Pecazine
cas: 60-89-9
chebiid: CHEBI:135324
chemspiderid: 5850
dtxsid: DTXSID2046177
formula: C19H22N2S1
inchikey: CBHCDHNUZWWAPP-UHFFFAOYNA-N
norman_susdat_id: NS00034492
pubchem_cid: NA
smiles: [Cl-].CN1CCCC(CN2c3ccccc3Sc3ccccc23)C1.[H+]
inchi:
InChI=1S/C19H22N2S/c1-20-12-6-7-15(13-20)14-21-16-8-2-4-10-18(16)22-19-11-5-3-9-17(19)21/h2-5,8-11,15H,6-7,12-14H2,1H3/t15-/m0/s1


name: Diethazine
cas: 60-91-3
chebiid: CHEBI:135265
chemspiderid: 58979
dtxsid: DTXSID40208700
formula: C18H22N2S1
inchikey: LURMIKVZJSMXQE-UHFFFAOYSA-N
norman_susdat_id: NS00009437
pubchem_cid: 65535
smiles: CCN(CC)CCN1c2ccccc2Sc2ccccc12
inchi:
InChI=1S/C18H22N2S/c1-3-19(4-2)13-14-20-15-9-5-7-11-17(15)21-18-12-8-6-10-16(18)20/h5-12H,3-4,13-14H2,1-2H3


name: cAMP
cas: 60-92-4
chemspiderid: 268
dtxsid: DTXSID8040436
formula: C10H12N5O6P1
inchikey: IVOMOUWHDPKRLL-UHFFFAOYSA-N
norman_susdat_id: NS00013344
pubchem_cid: 274
smiles: Nc1ncnc2n(cnc12)C3OC4CO[P](O)(=O)OC4C3O
inchi:
InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)


name: Quinine dihydrochloride
cas: 60-93-5
formula: C20H24N2O2.2ClH
inchikey: NNKXWRRDHYTHFP-HZQSTTLBSA-N
norman_susdat_id: NS00079010
smiles: Cl.Cl.COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1
inchi:
InChI=1/C20H24N2O2.2ClH/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;;/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;2*1H


name: 11-ß-hydroxypregn-4-ene-3,20-dione
cas: 600-57-7
chebiid: CHEBI:28247
formula: C21H30O3
inchikey: BFZHCUBIASXHPK-ATWVFEABSA-N
norman_susdat_id: NS00080332
smiles: CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@]12C
inchi:
InChI=1/C21H30O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h10,15-19,24H,4-9,11H2,1-3H3


name: 3-ß-hydroxy-5-a-pregnane-11,20-dione
cas: 600-59-9
formula: C21H32O3
inchikey: DUHUCHOQIDJXAT-UHFFFAOYSA-N
norman_susdat_id: NS00043325
pubchem_cid: 256278
smiles: O=C(C)C1CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12C
inchi:
InChI=1/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3


name: 3a,11ß,21-trihydroxy-5a-pregnan-20-one
cas: 600-63-5
chebiid: CHEBI:89328
formula: C21H34O4
inchikey: RHQQHZQUAMFINJ-NZTKVECHSA-N
norman_susdat_id: NS00080048
smiles: C[C@]12CC[C@@H](O)C[C@@H]1CC[C@H]3[C@@H]4CC[C@H](C(=O)CO)[C@@]4(C)C[C@H](O)[C@H]23
inchi:
InChI=1/C21H34O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h12-17,19,22-24H,3-11H2,1-2H3


name: Pregn-4-ene-3,20-dione, 11,17-dihydroxy-21-(phosphonooxy)-, disodium salt, (11ß)-
cas: 6000-74-4
formula: C21H31O8P.2Na
inchikey: RYJIRNNXCHOUTQ-OJJGEMKLSA-N
norman_susdat_id: NS00082390
smiles: [Na+].[Na+].C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)COP(=O)(O)O)[C@@]4(C)C[C@H](O)[C@H]23
inchi:
InChI=1/C21H31O8P.2Na/c1-19-7-5-13(22)9-12(19)3-4-14-15-6-8-21(25,17(24)11-29-30(26,27)28)20(15,2)10-16(23)18(14)19;;/h9,14-16,18,23,25H,3-8,10-11H2,1-2H3,(H2,26,27,28);;/q;2*+1


name: N,N'-(2-methyl-1,3-phenylene)bis(pyrrolidine-1-carboxamide)
cas: 60006-10-2
dtxsid: DTXSID50975431
formula: C17H24N4O2
inchikey: RZMKEDIOSRUTAQ-UHFFFAOYSA-N
norman_susdat_id: NS00055510
pubchem_cid: 108873
smiles: O=C(NC1=CC=CC(NC(=O)N2CCCC2)=C1C)N3CCCC3
inchi:
InChI=1/C17H24N4O2/c1-13-14(18-16(22)20-9-2-3-10-20)7-6-8-15(13)19-17(23)21-11-4-5-12-21/h6-8H,2-5,9-12H2,1H3,(H,18,22)(H,19,23)


name: 1H-Isoindol-1-one, 3,3'-[(2-chloro-1,4-phenylene)dinitrilo]bis[2,3-dihydro-
cas: 60009-98-5
chemspiderid: 97467
dtxsid: DTXSID6069377
formula: C22H13Cl1N4O2
inchikey: GWSHBPLYIXCKGG-UHFFFAOYSA-N
norman_susdat_id: NS00034279
pubchem_cid: 108409
smiles: Clc1cc(NC2=NC(=O)c3c2cccc3)ccc1NC1=NC(=O)c2c1cccc2
inchi:
InChI=1S/C22H13ClN4O2/c23-17-11-12(24-19-13-5-1-3-7-15(13)21(28)26-19)9-10-18(17)25-20-14-6-2-4-8-16(14)22(29)27-20/h1-11H,(H,24,26,28)(H,25,27,29)


name: 1-(3,4-dichlorophenyl)-5-isopropylbiguanide monohydrochloride
cas: 6001-93-0
formula: C11H15Cl2N5.ClH
inchikey: SVJMILFDDBKCGG-UHFFFAOYSA-N
norman_susdat_id: NS00082391
smiles: Cl.CC(C)NC(=N)NC(=N)Nc1ccc(Cl)c(Cl)c1
inchi:
InChI=1/C11H15Cl2N5.ClH/c1-6(2)16-10(14)18-11(15)17-7-3-4-8(12)9(13)5-7;/h3-6H,1-2H3,(H5,14,15,16,17,18);1H


name: Sodium 1,4-diisohexyl 2-sulphosuccinate
cas: 6001-97-4
formula: C16H30O7S.Na
inchikey: QJDJVBIQBWDFNZ-UHFFFAOYSA-M
norman_susdat_id: NS00082766
smiles: CCCCC(C)OC(=O)CC(C(=O)OC(C)CCCC)S(=O)(=O)O[Na]
inchi:
InChI=1/C16H30O7S.Na/c1-5-7-9-12(3)22-15(17)11-14(24(19,20)21)16(18)23-13(4)10-8-6-2;/h12-14H,5-11H2,1-4H3,(H,19,20,21);/q;+1/p-1/rC16H29NaO7S/c1-5-7-9-12(3)22-15(18)11-14(25(20,21)24-17)16(19)23-13(4)10-8-6-2/h12-14H,5-11H2,1-4H3


name: Ethyl 3-(perfluorohexyl)propanoate
cas: 60023-26-9
dtxsid: DTXSID20471970
formula: C11H9F13O2
inchikey: QMPHOSZUUXOKIV-UHFFFAOYSA-N
norman_susdat_id: NS00109527
smiles: CCOC(=O)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H9F13O2/c1-2-26-5(25)3-4-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2-4H2,1H3


cas: 60024-34-2
formula: C21H14N6O3
inchikey: CFSKOYDJFFEWTM-UHFFFAOYSA-N
norman_susdat_id: NS00055600
pubchem_cid: 108875
smiles: N#CC=1C(=O)NC(O)=C(N=NC=2C=CC=CC2C3=NC(=NO3)C=4C=CC=CC4)C1C
name:
1,2-dihydro-6-hydroxy-4-methyl-2-oxo-5-[[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]azo]nicotinonitrile

inchi:
InChI=1/C21H14N6O3/c1-12-15(11-22)19(28)24-20(29)17(12)26-25-16-10-6-5-9-14(16)21-23-18(27-30-21)13-7-3-2-4-8-13/h2-10H,1H3,(H2,24,28,29)


cas: 60033-00-3
chemspiderid: 17287808
dtxsid: DTXSID1069378
formula: C57H46N6O4
inchikey: HTDSBCRUCKCOAP-UHFFFAOYSA-N
norman_susdat_id: NS00034286
pubchem_cid: NA
name:
2-Naphthalenecarboxamide, 4,4'-[(phenylmethylene)bis[(2,5-dimethyl-4,1-phenylene)azo]]bis[3-hydroxy-N-phenyl-

inchi:
InChI=1S/C57H46N6O4/c1-34-30-49(60-62-52-43-26-16-14-20-39(43)32-47(54(52)64)56(66)58-41-22-10-6-11-23-41)36(3)28-45(34)51(38-18-8-5-9-19-38)46-29-37(4)50(31-35(46)2)61-63-53-44-27-17-15-21-40(44)33-48(55(53)65)57(67)59-42-24-12-7-13-25-42/h5-33,51,64-65H,1-4H3,(H,58,66)(H,59,67)/b62-60+,63-61+

smiles:
Cc1cc(C(c2ccccc2)c2c(C)cc(N=Nc3c4ccccc4cc(C(=O)Nc4ccccc4)c3O)c(C)c2)c(C)cc1N=Nc1c2ccccc2cc(C(=O)Nc2ccccc2)c1O


cas: 60033-54-7
dtxsid: DTXSID6069379
formula: C48H54N4O9S
inchikey: BRUWQWPJMQFIFT-UHFFFAOYSA-N
norman_susdat_id: NS00055514
pubchem_cid: 173714
name:
Dimethyl 5-[ethyl[[4-[[4-hydroxy-3-[[[2-methyl-5-(1-oxododecyl)phenyl]amino]carbonyl]-1-naphthyl]azo]phenyl]sulphonyl]amino]isophthalate

inchi:
InChI=1/C48H54N4O9S/c1-6-8-9-10-11-12-13-14-15-20-44(53)33-22-21-32(3)42(30-33)49-46(55)41-31-43(39-18-16-17-19-40(39)45(41)54)51-50-36-23-25-38(26-24-36)62(58,59)52(7-2)37-28-34(47(56)60-4)27-35(29-37)48(57)61-5/h16-19,21-31,54H,6-15,20H2,1-5H3,(H,49,55)

smiles:
O=C(OC)C=1C=C(C=C(C1)N(CC)S(=O)(=O)C2=CC=C(N=NC3=CC(C(=O)NC4=CC(=CC=C4C)C(=O)CCCCCCCCCCC)=C(O)C=5C=CC=CC35)C=C2)C(=O)OC


name: Hexocyclium
cas: 6004-98-4
chebiid: CHEBI:5707
chemspiderid: 22621
dtxsid: DTXSID4023123
formula: C20H33N2O1
inchikey: ZRYHPQCHHOKSMD-UHFFFAOYSA-N
norman_susdat_id: NS00005710
pubchem_cid: 24199
smiles: C[N+]1(C)CCN(CC(O)(C2CCCCC2)c2ccccc2)CC1
inchi:
InChI=1S/C20H33N2O/c1-22(2)15-13-21(14-16-22)17-20(23,18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3,5-6,9-10,19,23H,4,7-8,11-17H2,1-2H3/q+1


name: 4-(2-bromo-5-cyclohexyl-3-hydroxy-1-penten-1-yl)hexahydro-2H-cyclopenta[b]furan-2,5-diol
cas: 60057-00-3
dtxsid: DTXSID50975491
formula: C18H29BrO4
inchikey: VUGKYGPJUXNQSS-UHFFFAOYSA-N
norman_susdat_id: NS00055613
pubchem_cid: 108411
smiles: BrC(=CC1C(O)CC2OC(O)CC21)C(O)CCC3CCCCC3
inchi:
InChI=1/C18H29BrO4/c19-14(15(20)7-6-11-4-2-1-3-5-11)8-12-13-9-18(22)23-17(13)10-16(12)21/h8,11-13,15-18,20-22H,1-7,9-10H2


name: 2-(2-allyl-6-methoxyphenoxy)ethyl(diethyl)amine
cas: 6006-09-3
formula: C16H25NO2
inchikey: BGBFVIKSTCLLDW-UHFFFAOYSA-N
norman_susdat_id: NS00047628
pubchem_cid: 80104
smiles: O(C1=CC=CC(=C1OCCN(CC)CC)CC=C)C
inchi:
InChI=1/C16H25NO2/c1-5-9-14-10-8-11-15(18-4)16(14)19-13-12-17(6-2)7-3/h5,8,10-11H,1,6-7,9,12-13H2,2-4H3


name: 2,6,11-Dodecatrienal, 2,6-dimethyl-10-methylene-
cas: 60066-88-8
chemspiderid: 55990
dtxsid: DTXSID0069383
formula: C15H22O1
inchikey: NOPLRNXKHZRXHT-UHFFFAOYSA-N
norman_susdat_id: NS00021240
pubchem_cid: 62161
smiles: C/C(=CCCC(=C)C=C)/CC/C=C(C)/C=O
inchi:
InChI=1S/C15H22O/c1-5-13(2)8-6-9-14(3)10-7-11-15(4)12-16/h5,9,11-12H,1-2,6-8,10H2,3-4H3/b14-9+,15-11+


name: Sodium hydrogen 3-[[2-[(3-sulphonatopropyl)amino]phenyl]dithio]propane-1-sulphonate
cas: 60067-58-5
dtxsid: DTXSID30208794
formula: C12H19NO6S4
inchikey: WSKWTLPWVPRMSM-UHFFFAOYSA-L
norman_susdat_id: NS00055614
pubchem_cid: 6453901
smiles: [Na+].O=S(=O)([O-])CCCSSC=1C=CC=CC1NCCCS(=O)(=O)[O-]
inchi:
InChI=1/C12H19NO6S4.Na/c14-22(15,16)9-3-7-13-11-5-1-2-6-12(11)21-20-8-4-10-23(17,18)19;/h1-2,5-6,13H,3-4,7-10H2,(H,14,15,16)(H,17,18,19);/q;+1/p-2


name: 3-(2,3-dihydro-1,3-dioxo-1H-inden-2-yl)-7-hydroxybenzo[f]quinoline-9-sulphonic acid
cas: 60077-42-1
dtxsid: DTXSID30975510
formula: C22H13NO6S
inchikey: HEHNFVCBKKQGPG-UHFFFAOYSA-N
norman_susdat_id: NS00056946
pubchem_cid: NA
smiles: O=C1C=2C=CC=CC2C(=O)C1C=3N=C4C=CC5=C(O)C=C(C=C5C4=CC3)S(=O)(=O)O
inchi:
InChI=1/C22H13NO6S/c24-19-10-11(30(27,28)29)9-16-12-5-8-18(23-17(12)7-6-13(16)19)20-21(25)14-3-1-2-4-15(14)22(20)26/h1-10,20,24H,(H,27,28,29)


name: 4,5-Dihydro-1-phenyl-3-(2,4,6-trimethylphenyl)-1H-pyrazole
cas: 60078-97-9
chemspiderid: 97916
dtxsid: DTXSID50208817
formula: C18H20N2
inchikey: BJEAUUFMQKUXAX-UHFFFAOYSA-N
norman_susdat_id: NS00034297
pubchem_cid: 108884
smiles: Cc1cc(C)c(C2=NN(CC2)c2ccccc2)c(C)c1
inchi:
InChI=1S/C18H20N2/c1-13-11-14(2)18(15(3)12-13)17-9-10-20(19-17)16-7-5-4-6-8-16/h4-8,11-12H,9-10H2,1-3H3


name: Methacrylyl Coa
cas: 6008-91-9
chebiid: CHEBI:27754
dtxsid: DTXSID00863677
formula: C25H40N7O17P3S
inchikey: NPALUEYCDZWBOV-NDZSKPAWSA-N
norman_susdat_id: NS00070445
pubchem_cid: 165390
inchi:
InChI=1S/C25H40N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-12,14,17-19,23,34-35H,1,5-10H2,2-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1

smiles:
C=C(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)CO[P@@](=O)(O)O[P@](=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O


name: Liviatin
cas: 60080-38-8
chemspiderid: 34561028
dtxsid: NA
formula: C22H24N2O8
inchikey: SGKRLCUYIXIAHR-UHFFFAOYSA-N
norman_susdat_id: NS00000694
pubchem_cid: 54681536
smiles: CC1C2C(C3C(C(=O)C(=C(C3(C(=O)C2=C(C4=C1C=CC=C4O)O)O)O)C(=O)N)N(C)C)O
inchi:
InChI=1S/C22H24N2O8/c1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29/h4-7,10,14-15,17,25-27,30,32H,1-3H3,(H2,23,31)


name: 3a,17,21-trihydroxy-5a-pregnan-20-one
cas: 601-01-4
formula: C21H34O4
inchikey: UPTAPIKFKZGAGM-RBBWHVFISA-N
norman_susdat_id: NS00080049
smiles: C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@]4(O)C(=O)CO
inchi:
InChI=1/C21H34O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h13-17,22-23,25H,3-12H2,1-2H3


name: Cholest-5-ene-3-beta-yl palmitate
cas: 601-34-3
chebiid: CHEBI:3663
dtxsid: DTXSID40889356
formula: C43H76O2
inchikey: BBJQPKLGPMQWBU-JADYGXMDSA-N
norman_susdat_id: NS00043878
pubchem_cid: 246520
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCCCCCCCCCC
inchi:
InChI=1/C43H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-41(44)45-36-28-30-42(5)35(32-36)24-25-37-39-27-26-38(34(4)22-20-21-33(2)3)43(39,6)31-29-40(37)42/h24,33-34,36-40H,7-23,25-32H2,1-6H3


name: Cholest-5-en-3-one
cas: 601-54-7
chebiid: CHEBI:63906
chemspiderid: 2005974
dtxsid: DTXSID40208841
formula: C27H44O1
inchikey: GGCLNOIGPMGLDB-GYKMGIIDSA-N
norman_susdat_id: NS00034304
pubchem_cid: 9908107
smiles: CC(C)CCCC(C)C1CCC2C3CC=C4CC(=O)CCC4(C)C3CCC12C
inchi:
InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,22-25H,6-8,10-17H2,1-5H3/t19-,22+,23+,24+,25-,26-,27-/m1/s1


name: Cholest-4-en-3-one
cas: 601-57-0
chebiid: CHEBI:16175
chemspiderid: 82602
dtxsid: DTXSID90872379
formula: C27H44O1
inchikey: NYOXRYYXRWJDKP-GYKMGIIDSA-N
norman_susdat_id: NS00014741
pubchem_cid: 91477
smiles: CC(C)CCCC(C)C2CCC1C3CCC4=CC(=O)CCC4(C)C3CCC12C
inchi:
InChI=1S/C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h17-19,22-25H,6-16H2,1-5H3/t19-,22+,23-,24+,25+,26+,27-/m1/s1


name: 17ß-hydroxyestr-4-en-3-one 17-(3-cyclopentylpropionate)
cas: 601-63-8
chebiid: CHEBI:34184
dtxsid: DTXSID80975525
formula: C26H38O3
inchikey: REWKEGSQGOSEES-FNKXXKKYSA-N
norman_susdat_id: NS00043326
pubchem_cid: 237252
smiles: O=C(OC1CCC2C3CCC4=CC(=O)CCC4C3CCC12C)CCC5CCCC5
inchi:
InChI=1/C26H38O3/c1-26-15-14-21-20-10-8-19(27)16-18(20)7-9-22(21)23(26)11-12-24(26)29-25(28)13-6-17-4-2-3-5-17/h16-17,20-24H,2-15H2,1H3


name: Bis(3,5,5-trimethylhexyl) maleate
cas: 60100-39-2
dtxsid: DTXSID00975527
formula: C22H40O4
inchikey: ZVGNLPOWWIWPER-KTKRTIGZSA-N
norman_susdat_id: NS00055615
pubchem_cid: 21118396
smiles: O=C(OCCC(C)CC(C)(C)C)C=CC(=O)OCCC(C)CC(C)(C)C
inchi:
InChI=1/C22H40O4/c1-17(15-21(3,4)5)11-13-25-19(23)9-10-20(24)26-14-12-18(2)16-22(6,7)8/h9-10,17-18H,11-16H2,1-8H3


name: Petasitenine
cas: 60102-37-6
chemspiderid: 4445055
dtxsid: DTXSID6021115
formula: C19H27NO7
inchikey: CZQLULNMKQAIQL-FOUXODHOSA-N
norman_susdat_id: NS00094757
pubchem_cid: 5281741
smiles: C[C@H]1OC11C[C@@H](C)[C@@](C)(O)C(=O)OCC2=CCN(C)CC[C@@H](OC1=O)C2=O
inchi:
InChI=1S/C19H27NO7/c1-11-9-19(12(2)27-19)17(23)26-14-6-8-20(4)7-5-13(15(14)21)10-25-16(22)18(11,3)24/h5,11-12,14,24H,6-10H2,1-4H3/b13-5-/t11-,12-,14-,18-,19?/m1/s1


name: 11-a,17-a,21-trihydroxypregn-4-ene-3,20-dione
cas: 60103-17-5
formula: C21H30O5
inchikey: JYGXADMDTFJGBT-MKIDGPAKSA-N
norman_susdat_id: NS00087964
smiles: C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@@H](O)[C@H]23
inchi:
InChI=1/C21H30O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-16,18,22,24,26H,3-8,10-11H2,1-2H3


name: 3-[(dimethylvinylsilyl)oxy]-1,1,5,5-tetramethyl-3-phenyl-1,5-divinyltrisiloxane
cas: 60111-47-9
dtxsid: DTXSID70975539
formula: C18H32O3Si4
inchikey: XYVYGTWMOAIWOG-UHFFFAOYSA-N
norman_susdat_id: NS00056948
pubchem_cid: 6453907
smiles: O([Si](O[Si](C=C)(C)C)(O[Si](C=C)(C)C)C=1C=CC=CC1)[Si](C=C)(C)C
inchi:
InChI=1/C18H32O3Si4/c1-10-22(4,5)19-25(20-23(6,7)11-2,21-24(8,9)12-3)18-16-14-13-15-17-18/h10-17H,1-3H2,4-9H3


name: 3-[(dimethylvinylsilyl)oxy]-3-hexyl-1,1,5,5-tetramethyl-1,5-divinyltrisiloxane
cas: 60111-51-5
dtxsid: DTXSID80975540
formula: C18H40O3Si4
inchikey: QBFMFGFJRBYQFF-UHFFFAOYSA-N
norman_susdat_id: NS00056152
pubchem_cid: 6453909
smiles: O([Si](O[Si](C=C)(C)C)(O[Si](C=C)(C)C)CCCCCC)[Si](C=C)(C)C
inchi:
InChI=1/C18H40O3Si4/c1-11-15-16-17-18-25(19-22(5,6)12-2,20-23(7,8)13-3)21-24(9,10)14-4/h12-14H,2-4,11,15-18H2,1,5-10H3


name: 3,3-bis[(dimethylvinylsilyl)oxy]-1,1,5,5-tetramethyl-1,5-divinyltrisiloxane
cas: 60111-54-8
dtxsid: DTXSID6074629
formula: C16H36O4Si5
inchikey: JMTMWSZLPHDWBQ-UHFFFAOYSA-N
norman_susdat_id: NS00056041
pubchem_cid: 6453911
smiles: O([Si](O[Si](C=C)(C)C)(O[Si](C=C)(C)C)O[Si](C=C)(C)C)[Si](C=C)(C)C
inchi:
InChI=1/C16H36O4Si5/c1-13-21(5,6)17-25(18-22(7,8)14-2,19-23(9,10)15-3)20-24(11,12)16-4/h13-16H,1-4H2,5-12H3


name: ValproinsÃ¤ureglukuronid
cas: 60113-83-9
chebiid: CHEBI:168243
chemspiderid: 79488
formula: C14H24O8
inchikey: XXKSYIHWRBBHIC-JVWRJRKNSA-N
norman_susdat_id: NS00003085
pubchem_cid: 88111
smiles: CCCC(CCC)C(=O)O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O
inchi:
InChI=1S/C14H24O8/c1-3-5-7(6-4-2)13(20)22-14-10(17)8(15)9(16)11(21-14)12(18)19/h7-11,14-17H,3-6H2,1-2H3,(H,18,19)/t8-,9-,10+,11-,14-/m0/s1


name: 7-hydroxy-2',3',5',6'-tetramethylspiro[acridine-9(2H),1'-[2,5]cyclohexadiene]-2,4'-dione
cas: 60120-71-0
dtxsid: DTXSID90975551
formula: C22H19NO3
inchikey: OOBOPFKBJZPFHL-UHFFFAOYSA-N
norman_susdat_id: NS00055616
pubchem_cid: 108891
smiles: O=C1C=CC2=NC=3C=CC(O)=CC3C4(C2=C1)C(=C(C(=O)C(=C4C)C)C)C
inchi:
InChI=1/C22H19NO3/c1-11-13(3)22(14(4)12(2)21(11)26)17-9-15(24)5-7-19(17)23-20-8-6-16(25)10-18(20)22/h5-10,24H,1-4H3


name: 3-ethyl-2-methylbenzoxazolium p-toluenesulphonate
cas: 60126-36-5
formula: C10H12NO.C7H7O3S
inchikey: VUQSSSLPKYLMFL-UHFFFAOYSA-M
norman_susdat_id: NS00088162
smiles: CC[n+]1c(C)oc2ccccc12.Cc3ccc(cc3)S(=O)(=O)[O-]
inchi:
InChI=1/C10H12NO.C7H8O3S/c1-3-11-8(2)12-10-7-5-4-6-9(10)11;1-6-2-4-7(5-3-6)11(8,9)10/h4-7H,3H2,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: 2-[[4-(phenylamino)-1-naphthyl]azo]benzoic acid
cas: 60129-39-7
formula: C23H17N3O2
inchikey: RACYGOQFTYQMKP-UHFFFAOYSA-N
norman_susdat_id: NS00056951
pubchem_cid: 108894
smiles: O=C(O)C=1C=CC=CC1N=NC2=CC=C(NC=3C=CC=CC3)C=4C=CC=CC24
inchi:
InChI=1/C23H17N3O2/c27-23(28)19-12-6-7-13-21(19)25-26-22-15-14-20(17-10-4-5-11-18(17)22)24-16-8-2-1-3-9-16/h1-15,24H,(H,27,28)


name: 2,2'-[[4-[(2,4-dinitrophenyl)azo]phenyl]imino]bisethanol
cas: 60129-67-1
formula: C16H19N5O6
inchikey: SHWMLKYICHRJFM-UHFFFAOYSA-N
norman_susdat_id: NS00056043
pubchem_cid: 94592
smiles: O=[N+]([O-])C1=CC=C(N=NC2=CC=C(C=C2)N(CCO)CCO)C(=C1)[N+](=O)[O-]
inchi:
InChI=1/C16H17N5O6/c22-9-7-19(8-10-23)13-3-1-12(2-4-13)17-18-15-6-5-14(20(24)25)11-16(15)21(26)27/h1-6,11,22-23H,7-10H2


name: Chloroethoxyethylaluminium
cas: 6013-78-1
formula: C4H10AlClO
inchikey: CQZHWSXKEPTCNM-UHFFFAOYSA-M
norman_susdat_id: NS00082769
smiles: CCO[Al](Cl)CC
inchi:
InChI=1/C2H5O.C2H5.Al.ClH/c1-2-3;1-2;;/h2H2,1H3;1H2,2H3;;1H/q-1;;+2;/p-1/rC4H10AlClO/c1-3-5(6)7-4-2/h3-4H2,1-2H3


name: 2,2-bis(hydroxymethyl)butyl stearate
cas: 60130-68-9
dtxsid: DTXSID60886382
formula: C24H48O4
inchikey: WZUNUACWCJJERC-UHFFFAOYSA-N
norman_susdat_id: NS00056062
pubchem_cid: 108895
smiles: O=C(OCC(CO)(CO)CC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C24H48O4/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(27)28-22-24(4-2,20-25)21-26/h25-26H,3-22H2,1-2H3


name: Bis(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl)sulfosuccinate sodium salt
cas: 60131-27-3
chemspiderid: NA
dtxsid: DTXSID50880516
formula: C18H10F24O7S1
inchikey: JNCXDUZXQNOCOB-UHFFFAOYSA-M
norman_susdat_id: NS00019156
pubchem_cid: 23702980
inchi:
InChI=1S/C18H10F24O7S/c19-7(20)11(27,28)15(35,36)17(39,40)13(31,32)9(23,24)2-48-5(43)1-4(50(45,46)47)6(44)49-3-10(25,26)14(33,34)18(41,42)16(37,38)12(29,30)8(21)22/h4,7-8H,1-3H2,(H,45,46,47)

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


name: Flumoxonide
cas: 60135-22-0
dtxsid: DTXSID90208876
formula: C26H34F2O7
inchikey: IUIYEHXOIMMQJY-NGXOUOCZSA-N
norman_susdat_id: NS00056063
pubchem_cid: 20055353
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC5OC(OC5(C(=O)C(OC)OC)C4(C)CC(O)C32F)(C)C)C
inchi:
InChI=1/C26H34F2O7/c1-22(2)34-19-11-14-15-10-17(27)16-9-13(29)7-8-23(16,3)25(15,28)18(30)12-24(14,4)26(19,35-22)20(31)21(32-5)33-6/h7-9,14-15,17-19,21,30H,10-12H2,1-6H3


name: Cucurbitacin S
cas: 60137-06-6
chebiid: CHEBI:3953
chemspiderid: 119287
formula: C30H42O6
inchikey: MBYLRWSUZLFUTO-PQNVQGKDSA-N
norman_susdat_id: NS00094070
pubchem_cid: 106553
smiles:
C[C@H]1[C@H]2[C@@H](C[C@@]3([C@@]2(CC(=O)[C@@]4([C@H]3CC=C5[C@H]4C=C(C(=O)C5(C)C)O)C)C)C)O[C@@H](CC1=O)C(C)(C)O


name: 4-(morpholin-4-yl)benzenediazonium tetrachlorozincate (2:1)
cas: 6014-68-2
formula: C10H12N3O.1/2Cl4Zn
inchikey: CEBFHRPCULGIPE-UHFFFAOYSA-J
norman_susdat_id: NS00082770
smiles: Cl[Zn-2](Cl)(Cl)Cl.N#[N+]c1ccc(cc1)N2CCOCC2.N#[N+]c3ccc(cc3)N4CCOCC4
inchi:
InChI=1/2C10H12N3O.4ClH.Zn/c2*11-12-9-1-3-10(4-2-9)13-5-7-14-8-6-13;;;;;/h2*1-4H,5-8H2;4*1H;/q2*+1;;;;;+2/p-4/r2C10H12N3O.Cl4Zn/c2*11-12-9-1-3-10(4-2-9)13-5-7-14-8-6-13;1-5(2,3)4/h2*1-4H,5-8H2;/q2*+1;-2


name: (Perfluorododecyl)ethyl methacrylate
cas: 6014-75-1
chemspiderid: 99749
dtxsid: DTXSID1064083
formula: C18H9F25O2
inchikey: LFEGLDRNIDJMKB-UHFFFAOYSA-N
norman_susdat_id: NS00010998
pubchem_cid: 111129
inchi:
InChI=1S/C18H9F25O2/c1-5(2)6(44)45-4-3-7(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/h1,3-4H2,2H3

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


name: 4-[[4-[[1-[[(2,4-dimethoxyphenyl)amino]carbonyl]-2-oxopropyl]azo]phenyl]azo]benzenesulphonic acid
cas: 60143-55-7
dtxsid: DTXSID20886383
formula: C24H23N5O7S
inchikey: UNJKOJFODAGWEV-UHFFFAOYSA-N
norman_susdat_id: NS00056952
pubchem_cid: 108896
smiles: O=C(NC1=CC=C(OC)C=C1OC)C(N=NC2=CC=C(N=NC3=CC=C(C=C3)S(=O)(=O)O)C=C2)C(=O)C
inchi:
InChI=1/C24H23N5O7S/c1-15(30)23(24(31)25-21-13-10-19(35-2)14-22(21)36-3)29-28-17-6-4-16(5-7-17)26-27-18-8-11-20(12-9-18)37(32,33)34/h4-14,23H,1-3H3,(H,25,31)(H,32,33,34)


name: Cyano(3-phenoxyphenyl)methyl 3,3-dimethylspiro[cyclopropane-1,1'-[1H]indene]-2-carboxylate
cas: 60148-52-9
dtxsid: DTXSID80886384
formula: C28H23NO3
inchikey: CWUDZUQQZDXUHF-UHFFFAOYSA-N
norman_susdat_id: NS00056088
pubchem_cid: 65491
smiles: N#CC(OC(=O)C1C2(C=CC=3C=CC=CC32)C1(C)C)C=4C=CC=C(OC=5C=CC=CC5)C4
inchi:
InChI=1/C28H23NO3/c1-27(2)25(28(27)16-15-19-9-6-7-14-23(19)28)26(30)32-24(18-29)20-10-8-13-22(17-20)31-21-11-4-3-5-12-21/h3-17,24-25H,1-2H3


name: Calcium 4-aminobenzoate (1:2)
cas: 60154-17-8
formula: C7H7NO2.1/2Ca
inchikey: HFYZGNUOAODOAV-UHFFFAOYSA-L
norman_susdat_id: NS00087988
smiles: [CaH2].Nc1ccc(cc1)C(=O)[O-].Nc2ccc(cc2)C(=O)[O-]
inchi:
InChI=1/2C7H7NO2.Ca.2H/c2*8-6-3-1-5(2-4-6)7(9)10;;;/h2*1-4H,8H2,(H,9,10);;;/q;;+2;;/p-2/r2C7H7NO2.CaH2/c2*8-6-3-1-5(2-4-6)7(9)10;/h2*1-4H,8H2,(H,9,10);1H2/q;;+2/p-2


name: Lithium 9,10-dihydroxyoctadecanoate
cas: 60154-91-8
formula: C18H36O4.Li
inchikey: FZYNNDRSRSNFCL-UHFFFAOYSA-M
norman_susdat_id: NS00087989
smiles: [Li+].CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H36O4.Li/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22;/h16-17,19-20H,2-15H2,1H3,(H,21,22);/q;+1/p-1


cas: 60166-93-0
formula: C17H22I3N3O8
inchikey: XQZXYNRDCRIARQ-UHFFFAOYSA-N
norman_susdat_id: NS00088178
smiles: CC(O)C(=O)Nc1c(I)c(C(=O)NC(CO)CO)c(I)c(C(=O)NC(CO)CO)c1I
name:
(S)-N,N'-bis[2-hydroxy-1-(hydroxymethyl)ethyl]-5-[(2-hydroxy-1-oxopropyl)amino]-2,4,6-triiodoisophthaldiamide

inchi:
InChI=1/C17H22I3N3O8/c1-6(28)15(29)23-14-12(19)9(16(30)21-7(2-24)3-25)11(18)10(13(14)20)17(31)22-8(4-26)5-27/h6-8,24-28H,2-5H2,1H3,(H,21,30)(H,22,31)(H,23,29)


name: SORBITAN CAPRYLATE
cas: 60177-36-8
chemspiderid: 2299224
formula: C14H26O6
inchikey: PMRQMYKBMKCWSE-UHFFFAOYSA-N
norman_susdat_id: NS00014098
pubchem_cid: 21889173
smiles: CCCCCCCC(=O)O[C@H](CO)C1OC[C@H](O)[C@H]1O
inchi:
InChI=1S/C14H26O6/c1-2-3-4-5-6-7-12(17)20-11(8-15)14-13(18)10(16)9-19-14/h10-11,13-16,18H,2-9H2,1H3/t10-,11+,13+,14?/m0/s1


name: Trinickel dicitrate
cas: 6018-92-4
formula: C6H8O7.3/2Ni
inchikey: UPPLJLAHMKABPR-UHFFFAOYSA-H
norman_susdat_id: NS00081939
smiles: [Ni+2].[Ni+2].[Ni+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/2C6H8O7.3Ni/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: 2-[(Perfluorooctane-1-sulfonyl)amino]ethyl prop-2-enoate
cas: 60194-47-0
chemspiderid: 35800374
dtxsid: DTXSID40797028
formula: C13H8F17N1O4S1
inchikey: XCBBWRDLYSFQAA-UHFFFAOYSA-N
norman_susdat_id: NS00019158
pubchem_cid: 71374235
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)NCCOC(=O)C=C
inchi:
InChI=1S/C13H8F17NO4S/c1-2-5(32)35-4-3-31-36(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/h2,31H,1,3-4H2


name: Thiocolchicoside
cas: 602-41-5
chemspiderid: 8091534
dtxsid: DTXSID5045330
formula: C27H33N1O10S1
inchikey: LEQAKWQJCITZNK-UHFFFAOYSA-N
norman_susdat_id: NS00015418
pubchem_cid: 287691
smiles: CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(=O)C=C13)SC)OC)OC)OC4C(C(C(C(O4)CO)O)O)O
inchi:
InChI=1S/C27H33NO10S/c1-12(30)28-16-7-5-13-9-18(37-27-24(34)23(33)22(32)19(11-29)38-27)25(35-2)26(36-3)21(13)14-6-8-20(39-4)17(31)10-15(14)16/h6,8-10,16,19,22-24,27,29,32-34H,5,7,11H2,1-4H3,(H,28,30)


name: 3,8-diamino-5-ethyl-6-phenylphenanthridinium chloride
cas: 602-52-8
formula: C21H20N3.Cl
inchikey: BITVSRNAFFZUFW-UHFFFAOYSA-N
norman_susdat_id: NS00080368
smiles: [Cl-].CC[n+]1c(c2ccccc2)c3cc(N)ccc3c4ccc(N)cc14
inchi:
InChI=1/C21H19N3.ClH/c1-2-24-20-13-16(23)9-11-18(20)17-10-8-15(22)12-19(17)21(24)14-6-4-3-5-7-14;/h3-13,23H,2,22H2,1H3;1H


name: 9,10-didehydro-6-methylergoline-8ß-methanol
cas: 602-85-7
chebiid: CHEBI:60528
dtxsid: DTXSID40975627
formula: C16H18N2O
inchikey: BIXJFIJYBLJTMK-MEBBXXQBSA-N
norman_susdat_id: NS00043437
pubchem_cid: 14987
smiles: CN1C[C@@H](C=C2[C@H]1Cc3c[nH]c4c3c2ccc4)CO
inchi:
InChI=1/C16H18N2O/c1-18-8-10(9-19)5-13-12-3-2-4-14-16(12)11(7-17-14)6-15(13)18/h2-5,7,10,15,17,19H,6,8-9H2,1H3


name: Clorsulon
cas: 60200-06-8
chebiid: CHEBI:94811
chemspiderid: 39399
dtxsid: DTXSID8045488
formula: C8H8Cl3N3O4S2
inchikey: QOVTVIYTBRHADL-UHFFFAOYSA-N
norman_susdat_id: NS00034310
pubchem_cid: 43231
smiles: Nc1cc(C(=C(Cl)Cl)Cl)c(cc1S(=O)(=O)N)S(=O)(=O)N
inchi:
InChI=1S/C8H8Cl3N3O4S2/c9-7(8(10)11)3-1-4(12)6(20(14,17)18)2-5(3)19(13,15)16/h1-2H,12H2,(H2,13,15,16)(H2,14,17,18)


name: Ipratropium
cas: 60205-81-4
dtxsid: DTXSID9048437
formula: C20H30NO3
inchikey: OEXHQOGQTVQTAT-BHIXFJMTSA-N
norman_susdat_id: NS00099720
smiles: CC(C)[N+]1(C)[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1
inchi:
InChI=1/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1/t16-,17+,18+,19?,21?


name: Propiconazole
cas: 60207-90-1
chebiid: CHEBI:8489
chemspiderid: 39402
dtxsid: DTXSID8024280
formula: C15H17Cl2N3O2
inchikey: STJLVHWMYQXCPB-UHFFFAOYSA-N
norman_susdat_id: NS00000220
pubchem_cid: 43234
smiles: CCCC1COC(O1)(CN2C=NC=N2)C3=C(C=C(C=C3)Cl)Cl
eea_notation: CAS_60207-90-1
inchi:
InChI=1S/C15H17Cl2N3O2/c1-2-3-12-7-21-15(22-12,8-20-10-18-9-19-20)13-5-4-11(16)6-14(13)17/h4-6,9-10,12H,2-3,7-8H2,1H3


name: Etaconazole
cas: 60207-93-4
chebiid: CHEBI:4874
chemspiderid: 82776
dtxsid: DTXSID2041913
formula: C14H15Cl2N3O2
inchikey: DWRKFAJEBUWTQM-UHFFFAOYSA-N
norman_susdat_id: NS00006409
pubchem_cid: 91673
smiles: CCC1COC(Cn2cncn2)(O1)c1ccc(Cl)cc1Cl
inchi:
InChI=1S/C14H15Cl2N3O2/c1-2-11-6-20-14(21-11,7-19-9-17-8-18-19)12-4-3-10(15)5-13(12)16/h3-5,8-9,11H,2,6-7H2,1H3


name: Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(2-chloro-4-nitrophenyl)azo]phenyl]amino]-
cas: 6021-61-0
chemspiderid: 72367
dtxsid: DTXSID6064084
formula: C19H18Cl1N5O4
inchikey: XSTSGWJEOIPFED-UHFFFAOYSA-N
norman_susdat_id: NS00020007
pubchem_cid: 80118
smiles: CC(=O)OCCN(CCC#N)c1ccc(cc1)N=Nc1c(Cl)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C19H18ClN5O4/c1-14(26)29-12-11-24(10-2-9-21)16-5-3-15(4-6-16)22-23-19-8-7-17(25(27)28)13-18(19)20/h3-8,13H,2,10-12H2,1H3/b23-22+


cas: 6022-22-6
chemspiderid: 72369
dtxsid: DTXSID1064085
formula: C28H16N2O10S2
inchikey: HMHNPBXGEXSGLR-UHFFFAOYSA-N
norman_susdat_id: NS00007246
pubchem_cid: 80120
smiles: Nc1c(cc(-c2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(O)(=O)=O)c2C(=O)c3ccccc3C(=O)c12)S(O)(=O)=O
name:
[1,1'-Bianthracene]-3,3'-disulfonic acid, 4,4'-diamino-9,9',10,10'-tetrahydro-9,9',10,10'-tetraoxo-, disodium salt

inchi:
InChI=1S/C28H16N2O10S2/c29-23-17(41(35,36)37)9-15(19-21(23)27(33)13-7-3-1-5-11(13)25(19)31)16-10-18(42(38,39)40)24(30)22-20(16)26(32)12-6-2-4-8-14(12)28(22)34/h1-10H,29-30H2,(H,35,36,37)(H,38,39,40)


name: Glucoevatromonoside
cas: 6022-97-5
chemspiderid: 15137997
formula: C35H54O12
inchikey: BKLVUVLBSZAKIF-DQEYRRRMSA-N
norman_susdat_id: NS00093798
pubchem_cid: 34523633
smiles:
C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O


cas: 6022-99-7
dtxsid: DTXSID90975637
formula: C37H56O15
inchikey: SVNMSAUVRSRHGA-UUXWYOJBSA-N
norman_susdat_id: NS00047063
pubchem_cid: 3083927
smiles: O=COC1CC2(O)C3CCC4CC(OC5OC(C)C(OC6OC(CO)C(O)C(O)C6O)C(OC)C5O)CCC4(C)C3CCC2(C)C1C7=CC(=O)OC7
name:
(3ß,5ß,16ß)-3-[(6-deoxy-4-O-ß-D-glucopyranosyl-3-O-methyl-ß-D-galactopyranosyl)oxy]-14,16-dihydroxycard-20(22)-enolide 16-formate

inchi:
InChI=1/C37H56O15/c1-17-31(52-33-29(43)28(42)27(41)24(14-38)51-33)32(46-4)30(44)34(49-17)50-20-7-9-35(2)19(12-20)5-6-22-21(35)8-10-36(3)26(18-11-25(40)47-15-18)23(48-16-39)13-37(22,36)45/h11,16-17,19-24,26-34,38,41-45H,5-10,12-15H2,1-4H3


name: Dinonylnaphthalenedisulphonic acid
cas: 60223-95-2
dtxsid: DTXSID00894426
formula: C28H44O6S2
inchikey: SGVGYKFWOFPROF-UHFFFAOYSA-N
norman_susdat_id: NS00057008
pubchem_cid: 10191081
smiles: O=S(=O)(O)C1=C2C=CC=CC2=C(C(=C1S(=O)(=O)O)CCCCCCCCC)CCCCCCCCC
inchi:
InChI=1/C28H44O6S2/c1-3-5-7-9-11-13-15-19-23-24-20-17-18-22-26(24)28(36(32,33)34)27(35(29,30)31)25(23)21-16-14-12-10-8-6-4-2/h17-18,20,22H,3-16,19,21H2,1-2H3,(H,29,30,31)(H,32,33,34)


name: [(6,8-dibutyl-2,4,6,8-tetramethylcyclotetrasiloxane-2,4-diyl)di(oxy)]bis(diethylamine)
cas: 60228-81-1
dtxsid: DTXSID80975641
formula: C20H50N2O6Si4
inchikey: WMGUKCPTJDQBMW-UHFFFAOYSA-N
norman_susdat_id: NS00057009
pubchem_cid: 108908
smiles: O(N(CC)CC)[Si]1(O[Si](ON(CC)CC)(O[Si](O[Si](O1)(C)CCCC)(C)CCCC)C)C
inchi:
InChI=1/C20H50N2O6Si4/c1-11-17-19-29(7)25-30(8,20-18-12-2)27-32(10,24-22(15-5)16-6)28-31(9,26-29)23-21(13-3)14-4/h11-20H2,1-10H3


name: 2,5-diethoxy-4-(morpholin-4-yl)benzenediazonium tetrachlorozincate (2:1)
cas: 6023-29-6
formula: C14H20N3O3.1/2Cl4Zn
inchikey: SZLASIXKMJGXJR-UHFFFAOYSA-J
norman_susdat_id: NS00081951
smiles: CCOc1cc(N2CCOCC2)c(OCC)cc1[N+]#N.CCOc3cc(N4CCOCC4)c(OCC)cc3[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C14H20N3O3.4ClH.Zn/c2*1-3-19-13-10-12(17-5-7-18-8-6-17)14(20-4-2)9-11(13)16-15;;;;;/h2*9-10H,3-8H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C14H20N3O3.Cl4Zn/c2*1-3-19-13-10-12(17-5-7-18-8-6-17)14(20-4-2)9-11(13)16-15;1-5(2,3)4/h2*9-10H,3-8H2,1-2H3;/q2*+1;-2


name: 4-(dimethylamino)benzenediazonium tetrachlorozincate (2:1)
cas: 6023-44-5
formula: C8H10N3.1/2Cl4Zn
inchikey: SMBZLQPVCLDRRY-UHFFFAOYSA-J
norman_susdat_id: NS00082393
smiles: CN(C)c1ccc(cc1)[N+]#N.CN(C)c2ccc(cc2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C8H10N3.4ClH.Zn/c2*1-11(2)8-5-3-7(10-9)4-6-8;;;;;/h2*3-6H,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C8H10N3.Cl4Zn/c2*1-11(2)8-5-3-7(10-9)4-6-8;1-5(2,3)4/h2*3-6H,1-2H3;/q2*+1;-2


name: 1-(1-Phenylcyclohexyl)-4-hydroxypiperidine
cas: 60232-85-1
dtxsid: DTXSID10208979
formula: C17H25NO
inchikey: SLUMSLWGPLFKGY-UHFFFAOYSA-N
norman_susdat_id: NS00097037
smiles: C1CCC(CC1)(C2=CC=CC=C2)N3CCC(CC3)O
inchi:
InChI=1S/C17H25NO/c19-16-9-13-18(14-10-16)17(11-5-2-6-12-17)15-7-3-1-4-8-15/h1,3-4,7-8,16,19H,2,5-6,9-14H2


cas: 60233-31-0
dtxsid: DTXSID00886164
formula: C35H47Cl2N5O4
inchikey: ATJHJQBHCWMUBT-UHFFFAOYSA-N
norman_susdat_id: NS00056089
pubchem_cid: 108422
smiles: O=C(NC1=CC=C(Cl)C(=C1)NC(=O)C(C(=O)C(C)(C)C)N2N=C(Cl)N=C2)CCCOC3=CC=C(C=C3C(C)(C)CC)C(C)(C)CC
name:
N-[5-[[4-[2,4-bis(tert-pentyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-3-chloro-a-(2,2-dimethylpropionyl)-1H-1,2,4-triazol-1-acetamide

inchi:
InChI=1/C35H47Cl2N5O4/c1-10-34(6,7)22-14-17-27(24(19-22)35(8,9)11-2)46-18-12-13-28(43)39-23-15-16-25(36)26(20-23)40-31(45)29(30(44)33(3,4)5)42-21-38-32(37)41-42/h14-17,19-21,29H,10-13,18H2,1-9H3,(H,39,43)(H,40,45)


name: Asparagoside B
cas: 60237-69-6
chebiid: CHEBI:169892
chemspiderid: 101306907
formula: C33H56O9
inchikey: FBJYDOQUXQMQSS-TXUJEBAWSA-N
norman_susdat_id: NS00094582
smiles:
C[C@H]1[C@H]2[C@H](C[C@@H]3[C@@]2(CC[C@H]4[C@H]3CC[C@H]5[C@@]4(CC[C@@H](C5)O)C)C)O[C@@]1(CC[C@H](C)CO[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O


cas: 60247-61-2
dtxsid: DTXSID50866799
formula: C41H57ClN2O8S2
inchikey: KNWWADFQECPVGP-UHFFFAOYSA-N
norman_susdat_id: NS00056113
pubchem_cid: 108430
name:
N-[2-chloro-5-[(hexadecylsulphonyl)amino]phenyl]-2-[4-[(4-hydroxyphenyl)sulphonyl]phenoxy]-4,4-dimethyl-3-oxovaleramide

inchi:
InChI=1/C41H57ClN2O8S2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-29-53(48,49)44-31-19-28-36(42)37(30-31)43-40(47)38(39(46)41(2,3)4)52-33-22-26-35(27-23-33)54(50,51)34-24-20-32(45)21-25-34/h19-28,30,38,44-45H,5-18,29H2,1-4H3,(H,43,47)

smiles:
O=C(NC1=CC(=CC=C1Cl)NS(=O)(=O)CCCCCCCCCCCCCCCC)C(OC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(O)C=C3)C(=O)C(C)(C)C


name: Fuprazole
cas: 60248-23-9
chemspiderid: 4940769
dtxsid: DTXSID10208994
formula: C28H30N4O2
inchikey: HMTJIKVWJRSKMY-UXBLZVDNSA-N
norman_susdat_id: NS00034316
pubchem_cid: 6436095
smiles: O=C(CCn1c(CN2CCN(C/C=C/c3ccccc3)CC2)nc2c1cccc2)c1ccco1
inchi:
InChI=1S/C28H30N4O2/c33-26(27-13-7-21-34-27)14-16-32-25-12-5-4-11-24(25)29-28(32)22-31-19-17-30(18-20-31)15-6-10-23-8-2-1-3-9-23/h1-13,21H,14-20,22H2/b10-6+


name: 3-[2-[(4-cinnamyl-1-piperazinyl)methyl]-1H-benzimidazol-1-yl]-1-(2-furyl)propan-1-one dimaleate
cas: 60248-24-0
formula: C28H30N4O2.2C4H4O4
inchikey: DDYRUOXRYVBENR-NAVXNTSPSA-N
norman_susdat_id: NS00088191
smiles: OC(=O)\C=C/C(=O)O.OC(=O)\C=C/C(=O)O.O=C(CCn1c(CN2CCN(C\C=C\c3ccccc3)CC2)nc4ccccc14)c5occc5
inchi:
InChI=1/C28H30N4O2.2C4H4O4/c33-26(27-13-7-21-34-27)14-16-32-25-12-5-4-11-24(25)29-28(32)22-31-19-17-30(18-20-31)15-6-10-23-8-2-1-3-9-23;2*5-3(6)1-2-4(7)8/h1-13,21H,14-20,22H2;2*1-2H,(H,5,6)(H,7,8)


name: 7-(3-methyl-1H-pyrazol-1-yl)-3-phenyl-2-benzopyrone
cas: 6025-18-9
formula: C19H14N2O2
inchikey: HATLMHBLUAELGS-UHFFFAOYSA-N
norman_susdat_id: NS00046377
pubchem_cid: 80122
smiles: O=C1OC=2C=C(C=CC2C=C1C=3C=CC=CC3)N4N=C(C=C4)C
inchi:
InChI=1/C19H14N2O2/c1-13-9-10-21(20-13)16-8-7-15-11-17(14-5-3-2-4-6-14)19(22)23-18(15)12-16/h2-12H,1H3


name: 5-Hydroxymebendazole
cas: 60254-95-7
chemspiderid: 39410
formula: C16H15N3O3
inchikey: IIQKUGXEGMZCLE-UHFFFAOYSA-N
norman_susdat_id: NS00017218
pubchem_cid: 43242
smiles: COC(=O)NC1=NC2=C(N1)C=C(C=C2)C(C3=CC=CC=C3)O
inchi:
InChI=1S/C16H15N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9,14,20H,1H3,(H2,17,18,19,21)


name: Asparagoside C
cas: 60267-23-4
chemspiderid: 3042720
formula: C39H64O13
inchikey: ZJCKMLSMXPLTKX-GMUIGVSZSA-N
norman_susdat_id: NS00094583
smiles:
C[C@H]1CCC2([C@H]([C@H]3[C@@H](O2)CC4[C@@]3(CCC5C4CCC6[C@@]5(CCC(C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)O)C)C)C)OC1


name: Asparagoiside D
cas: 60267-24-5
chemspiderid: 119081343
formula: C45H74O18
inchikey: DEXBUPZUMRUNGB-RWWRVRGXSA-N
norman_susdat_id: NS00094584
smiles:
C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC[C@H]6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O[C@@H]8[C@H]([C@@H]([C@H]([C@@H](O8)CO)O)O)O)O[C@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O)C)C)C)OC1


name: Bis(2-methyl-2-phenylpropyl)oxostannane
cas: 60268-12-4
dtxsid: DTXSID4069391
formula: C20H26OSn
inchikey: KKMCHPIGCYMHAX-UHFFFAOYSA-N
norman_susdat_id: NS00056242
pubchem_cid: 97086
smiles: O=[Sn](CC(C=1C=CC=CC1)(C)C)CC(C=2C=CC=CC2)(C)C
inchi:
InChI=1/2C10H13.O.Sn/c2*1-10(2,3)9-7-5-4-6-8-9;;/h2*4-8H,1H2,2-3H3;;/rC20H26OSn/c1-19(2,17-11-7-5-8-12-17)15-22(21)16-20(3,4)18-13-9-6-10-14-18/h5-14H,15-16H2,1-4H3


name: 2-[(p-methoxy-a-phenylbenzyl)oxy]ethyl(dimethyl)ammonium chloride
cas: 6027-00-5
formula: C18H23NO2.ClH
inchikey: ZLOMYDCFJHNHGM-UHFFFAOYSA-N
norman_susdat_id: NS00081975
smiles: [Cl-].COc1ccc(cc1)C(OCC[NH+](C)C)c2ccccc2
inchi:
InChI=1/C18H23NO2.ClH/c1-19(2)13-14-21-18(15-7-5-4-6-8-15)16-9-11-17(20-3)12-10-16;/h4-12,18H,13-14H2,1-3H3;1H


name: Butanilicaine
cas: 6027-28-7
chebiid: CHEBI:55518
chemspiderid: 21004
dtxsid: DTXSID90191279
formula: C13H19Cl1N2O1
inchikey: VWYQKFLLGRBICZ-UHFFFAOYSA-N
norman_susdat_id: NS00006869
pubchem_cid: 22379
smiles: CCCCNCC(=O)Nc1c(C)cccc1Cl
inchi:
InChI=1S/C13H19ClN2O/c1-3-4-8-15-9-12(17)16-13-10(2)6-5-7-11(13)14/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17)


name: Triacontyl palmitate
cas: 6027-71-0
chemspiderid: 72375
dtxsid: DTXSID30209024
formula: C46H92O2
inchikey: KMEHEQFDWWYZIO-UHFFFAOYSA-N
norman_susdat_id: NS00034323
pubchem_cid: 80126
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC
inchi:
InChI=1S/C46H92O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-33-35-37-39-41-43-45-48-46(47)44-42-40-38-36-34-32-16-14-12-10-8-6-4-2/h3-45H2,1-2H3


name: Behenamidopropyl dimethylamine
cas: 60270-33-9
chemspiderid: 97943
dtxsid: DTXSID90209025
formula: C27H56N2O1
inchikey: MNAZHGAWPCLLGX-UHFFFAOYSA-N
norman_susdat_id: NS00013392
pubchem_cid: 108912
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)NCCCN(C)C
inchi:
InChI=1S/C27H56N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(30)28-25-23-26-29(2)3/h4-26H2,1-3H3,(H,28,30)


name: Potassium 1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptane-1-sulphonate
cas: 60270-55-5
formula: C7HF15O3S.K
inchikey: LBAKROCDOXEWPV-UHFFFAOYSA-M
norman_susdat_id: NS00088012
smiles: [K+].[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C7HF15O3S.K/c8-1(9,2(10,11)4(14,15)6(18,19)20)3(12,13)5(16,17)7(21,22)26(23,24)25;/h(H,23,24,25);/q;+1/p-1


name: Sodium 9,10-dihydro-5-nitro-9,10-dioxoanthracene-2-sulphonate
cas: 60274-89-7
dtxsid: DTXSID40975687
formula: C14H8NO7S
inchikey: OJOUTXRYWZFPEZ-UHFFFAOYSA-M
norman_susdat_id: NS00056243
pubchem_cid: NA
smiles: [Na+].O=C1C2=CC=CC(=C2C(=O)C3=CC=C(C=C13)S(=O)(=O)[O-])[N+](=O)[O-]
inchi:
InChI=1/C14H7NO7S.Na/c16-13-9-2-1-3-11(15(18)19)12(9)14(17)8-5-4-7(6-10(8)13)23(20,21)22;/h1-6H,(H,20,21,22);/q;+1/p-1


name: Sodium 9,10-dihydro-8-nitro-9,10-dioxoanthracenesulphonate
cas: 60274-90-0
formula: C14H7NO7S.Na
inchikey: HPGPAWSZFXHFHT-UHFFFAOYSA-M
norman_susdat_id: NS00088208
smiles: [Na+].[O-][N+](=O)c1cccc2C(=O)c3cccc(c3C(=O)c12)S(=O)(=O)[O-]
inchi:
InChI=1/C14H7NO7S.Na/c16-13-7-3-1-5-9(15(18)19)11(7)14(17)12-8(13)4-2-6-10(12)23(20,21)22;/h1-6H,(H,20,21,22);/q;+1/p-1


name: O,O-Didodecyl hydrogen dithiophosphate
cas: 6028-51-9
chemspiderid: 72215
dtxsid: DTXSID00209031
formula: C24H51O2P1S2
inchikey: RZAQYVWTBXBLLW-UHFFFAOYSA-N
norman_susdat_id: NS00034324
pubchem_cid: 80129
smiles: CCCCCCCCCCCCOP(=S)(S)OCCCCCCCCCCCC
inchi:
InChI=1S/C24H51O2PS2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27(28,29)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3,(H,28,29)


name: Gestodene
cas: 60282-87-3
chemspiderid: 2298532
dtxsid: DTXSID6046478
formula: C21H26O2
inchikey: SIGSPDASOTUPFS-KQMXEUTGSA-N
norman_susdat_id: NS00008617
pubchem_cid: 43249
smiles: CCC12CCC3C(CCC4=CC(=O)CCC34)C1C=C[C@@]2(O)C#C
inchi:
InChI=1S/C21H26O2/c1-3-20-11-9-17-16-8-6-15(22)13-14(16)5-7-18(17)19(20)10-12-21(20,23)4-2/h2,10,12-13,16-19,23H,3,5-9,11H2,1H3/t16?,17?,18?,19?,20?,21-/m0/s1


name: Nifedipine hydrochloride
cas: 60299-11-8
dtxsid: DTXSID90209045
formula: C17H19ClN2O6
inchikey: ISQGFMPRCDAJRT-UHFFFAOYSA-N
norman_susdat_id: NS00076444
smiles: Cl.COC(=O)C1=C(C)NC(C)=C(C1C1=CC=CC=C1[N+]([O-])=O)C(=O)OC
inchi:
InChI=1S/C17H18N2O6.ClH/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23;/h5-8,15,18H,1-4H3;1H


name: Triphenylbismuth
cas: 603-33-8
formula: C18H15Bi
inchikey: ZHXAZZQXWJJBHA-UHFFFAOYSA-N
norman_susdat_id: NS00080369
smiles: c1ccc(cc1)[Bi](c2ccccc2)c3ccccc3
inchi:
InChI=1/3C6H5.Bi/c3*1-2-4-6-5-3-1;/h3*1-5H;/rC18H15Bi/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H


name: Triphenylstibine
cas: 603-36-1
formula: C18H15Sb
inchikey: HVYVMSPIJIWUNA-UHFFFAOYSA-N
norman_susdat_id: NS00080396
smiles: c1ccc(cc1)[Sb](c2ccccc2)c3ccccc3
inchi:
InChI=1/3C6H5.Sb/c3*1-2-4-6-5-3-1;/h3*1-5H;/rC18H15Sb/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H


cas: 603-47-4
formula: C24H27N3.ClH
inchikey: JFTBTTPUYRGXDG-UHFFFAOYSA-N
norman_susdat_id: NS00080436
smiles: Cl.CN=C1C=CC(=C(c2ccc(cc2)N(C)C)c3ccc(cc3)N(C)C)C=C1
name:
4-[[4-(dimethylamino)phenyl][4-(methylimino)cyclohexa-2,5-dien-1-ylidene]methyl]-N,N-dimethylaniline monohydrochloride

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


name: Leucogentian violet
cas: 603-48-5
chemspiderid: 62270
dtxsid: DTXSID3060530
formula: C25H31N3
inchikey: OAZWDJGLIYNYMU-UHFFFAOYSA-N
norman_susdat_id: NS00009166
pubchem_cid: 69048
smiles: CN(C)c1ccc(cc1)C(c1ccc(cc1)N(C)C)c1ccc(cc1)N(C)C
inchi:
InChI=1S/C25H31N3/c1-26(2)22-13-7-19(8-14-22)25(20-9-15-23(16-10-20)27(3)4)21-11-17-24(18-12-21)28(5)6/h7-18,25H,1-6H3


name: Bisacodyl
cas: 603-50-9
chebiid: CHEBI:3125
chemspiderid: 2299
dtxsid: DTXSID1022681
formula: C22H19N1O4
inchikey: KHOITXIGCFIULA-UHFFFAOYSA-N
norman_susdat_id: NS00006175
pubchem_cid: 2391
smiles: CC(=O)Oc1ccc(cc1)C(c1ccc(OC(C)=O)cc1)c1ccccn1
inchi:
InChI=1S/C22H19NO4/c1-15(24)26-19-10-6-17(7-11-19)22(21-5-3-4-14-23-21)18-8-12-20(13-9-18)27-16(2)25/h3-14,22H,1-2H3


name: Aminophenazone salicylate
cas: 603-57-6
formula: C13H17N3O.C7H6O3
inchikey: OENATKSIWPUNNX-UHFFFAOYSA-N
norman_susdat_id: NS00080707
smiles: CN(C)C1=C(C)N(C)N(C1=O)c2ccccc2.OC(=O)c3ccccc3O
inchi:
InChI=1/C13H17N3O.C7H6O3/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11;8-6-4-2-1-3-5(6)7(9)10/h5-9H,1-4H3;1-4,8H,(H,9,10)


name: Tamarixetin
cas: 603-61-2
chebiid: CHEBI:67492
chemspiderid: 423348
dtxsid: DTXSID00209056
formula: C16H12O7
inchikey: FPLMIPQZHHQWHN-UHFFFAOYSA-N
norman_susdat_id: NS00034341
pubchem_cid: 5281699
smiles: COc1c(O)cc(cc1)c1c(O)c(=O)c2c(o1)cc(O)cc2O
inchi:
InChI=1S/C16H12O7/c1-22-11-3-2-7(4-9(11)18)16-15(21)14(20)13-10(19)5-8(17)6-12(13)23-16/h2-6,17-19,21H,1H3


name: Hexyl (R)-12-hydroxyoleate
cas: 6030-14-4
formula: C24H46O3
inchikey: KITUJVIGXXGBLV-AONZOJHOSA-N
norman_susdat_id: NS00047098
pubchem_cid: 6437608
smiles: O=C(OCCCCCC)CCCCCCCC=CCC(O)CCCCCC
inchi:
InChI=1/C24H46O3/c1-3-5-7-15-19-23(25)20-16-13-11-9-10-12-14-17-21-24(26)27-22-18-8-6-4-2/h13,16,23,25H,3-12,14-15,17-22H2,1-2H3


name: 12'-hydroxy-2',5'a-diisopropylergotaman-3',6',18-trione phosphate
cas: 6030-85-9
formula: C31H39N5O5.xH3O4P
inchikey: YVCZHSXMHRDXIC-CWNVUFIVSA-N
norman_susdat_id: NS00082428
inchi:
InChI=1/C31H39N5O5.H3O4P/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19;1-5(2,3)4/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37);(H3,1,2,3,4)

smiles:
OP(O)(=O)O.CN2C[C@@H](/C=C1/c3cccc4ncc(C[C@H]12)c34)C(=O)N[C@@]5(O[C@]7(O)N(C5=O)[C@@H](C(C)C)C(=O)N6CCC[C@H]67)C(C)C


name: (2s,3s)-3-(benzoyloxy)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid
cas: 60305-56-8
dtxsid: DTXSID20291059
formula: C16H19NO4
inchikey: GVGYEFKIHJTNQZ-HOAMVYINSA-N
norman_susdat_id: NS00076226
smiles: [H]C12CCC([H])([C@@H]([C@H](C1)OC(=O)C1=CC=CC=C1)C(O)=O)N2C
inchi:
InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11?,12?,13-,14-/m0/s1


name: 2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propanamide
cas: 60308-67-0
dtxsid: DTXSID80896524
formula: C9H2F17NO3
inchikey: LEBNQGASTHOFJF-UHFFFAOYSA-N
norman_susdat_id: NS00111829
smiles: NC(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1/C9H2F17NO3/c10-2(1(27)28,5(14,15)16)29-9(25,26)4(13,7(20,21)22)30-8(23,24)3(11,12)6(17,18)19/h(H2,27,28)


name: 2-Amino-4-fluoro-5-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-N-(1,3-thiazol-2-yl)benzamide
cas: 603107-76-2
dtxsid: DTXSID20332294
formula: C14H12FN5OS2
inchikey: YUCYMQBDBXVNCE-UHFFFAOYSA-N
norman_susdat_id: NS00070097
pubchem_cid: 449003
smiles: Cn1ccnc1Sc1cc(C(=O)Nc2nccs2)c(N)cc1F
inchi:
InChI=1S/C14H12FN5OS2/c1-20-4-2-18-14(20)23-11-6-8(10(16)7-9(11)15)12(21)19-13-17-3-5-22-13/h2-7H,16H2,1H3,(H,17,19,21)


cas: 60311-02-6
formula: C31H31N2O7S2
inchikey: NTLIOARCCUUOAV-UHFFFAOYSA-L
norman_susdat_id: NS00055725
pubchem_cid: 122181
smiles: O=S(=O)([O-])C=1C=CC(C=2C=3C=C4C5=C(C3[O+]=C6C2C=C7C8=C6CCCN8CCC7)CCCN5CCC4)=C(C1)S(=O)(=O)[O-]
name:
Hydrogen 9-(2,4-disulphonatophenyl)-2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-xantheno[2,3,4-ij:5,6,7-i'j']diquinolizin-18-ium

inchi:
InChI=1/C31H30N2O7S2/c34-41(35,36)20-9-10-21(26(17-20)42(37,38)39)27-24-15-18-5-1-11-32-13-3-7-22(28(18)32)30(24)40-31-23-8-4-14-33-12-2-6-19(29(23)33)16-25(27)31/h9-10,15-17H,1-8,11-14H2,(H-,34,35,36,37,38,39)/p-1


name: 3-(4'-bromo[1,1'-biphenyl]-4-yl)-3,4-dihydronaphthalen-1(2H)-one
cas: 60313-01-1
dtxsid: DTXSID60975720
formula: C22H17BrO
inchikey: ZBXFXJMMCQYFJR-UHFFFAOYSA-N
norman_susdat_id: NS00055726
pubchem_cid: 108437
smiles: O=C1C=2C=CC=CC2CC(C3=CC=C(C=C3)C=4C=CC(Br)=CC4)C1
inchi:
InChI=1/C22H17BrO/c23-20-11-9-16(10-12-20)15-5-7-17(8-6-15)19-13-18-3-1-2-4-21(18)22(24)14-19/h1-12,19H,13-14H2


name: 4'-bromo-a-(phenylmethyl)[1,1'-biphenyl]-4-methanol
cas: 60313-17-9
dtxsid: DTXSID20975721
formula: C20H17BrO
inchikey: MSFKWIPDXNDLPZ-UHFFFAOYSA-N
norman_susdat_id: NS00056189
pubchem_cid: 108438
smiles: BrC=1C=CC(=CC1)C2=CC=C(C=C2)C(O)CC=3C=CC=CC3
inchi:
InChI=1/C20H17BrO/c21-19-12-10-17(11-13-19)16-6-8-18(9-7-16)20(22)14-15-4-2-1-3-5-15/h1-13,20,22H,14H2


name: [1-(4'-bromo[1,1'-biphenyl]-4-yl)-2-phenylethyl]malonic acid
cas: 60313-47-5
dtxsid: DTXSID40975723
formula: C23H19BrO4
inchikey: KLBROPDJXHQYCC-UHFFFAOYSA-N
norman_susdat_id: NS00055728
pubchem_cid: 108440
smiles: O=C(O)C(C(=O)O)C(C1=CC=C(C=C1)C=2C=CC(Br)=CC2)CC=3C=CC=CC3
inchi:
InChI=1/C23H19BrO4/c24-19-12-10-17(11-13-19)16-6-8-18(9-7-16)20(21(22(25)26)23(27)28)14-15-4-2-1-3-5-15/h1-13,20-21H,14H2,(H,25,26)(H,27,28)


name: Odanacatib
cas: 603139-19-1
dtxsid: DTXSID40209075
formula: C25H27F4N3O3S
inchikey: FWIVDMJALNEADT-SFTDATJTSA-N
norman_susdat_id: NS00072488
pubchem_cid: 10152654
smiles: CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(S(C)(=O)=O)cc2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1
inchi:
InChI=1S/C25H27F4N3O3S/c1-23(2,26)14-20(22(33)32-24(15-30)12-13-24)31-21(25(27,28)29)18-6-4-16(5-7-18)17-8-10-19(11-9-17)36(3,34)35/h4-11,20-21,31H,12-14H2,1-3H3,(H,32,33)/t20-,21-/m0/s1


name: [3-(4-{2-butyl-1-[4-(4-chlorophenoxy)phenyl]-1h-imidazol-4-yl}phenoxy)propyl]diethylamine
cas: 603148-36-3
formula: C32H38ClN3O2
inchikey: KJNNWYBAOPXVJY-UHFFFAOYSA-N
norman_susdat_id: NS00072247
pubchem_cid: 11180124
smiles: CCCCc1nc(-c2ccc(OCCCN(CC)CC)cc2)cn1-c1ccc(Oc2ccc(Cl)cc2)cc1
inchi:
InChI=1S/C32H38ClN3O2/c1-4-7-9-32-34-31(25-10-16-28(17-11-25)37-23-8-22-35(5-2)6-3)24-36(32)27-14-20-30(21-15-27)38-29-18-12-26(33)13-19-29/h10-21,24H,4-9,22-23H2,1-3H3


cas: 60317-14-8
dtxsid: DTXSID20209078
formula: C21H28ClN4O2S
inchikey: VTVOEOHRHUFALE-UHFFFAOYSA-M
norman_susdat_id: NS00055804
pubchem_cid: 3017179
smiles: O=S(=O)([O-])OC.O=S(=O)(NCCC[N+](C)(C)C)C1=CC=C(C=C1)N2N=C(C=3C=CC(Cl)=CC3)CC2
name:
3-[[[4-[3-(4-chlorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]phenyl]sulphonyl]amino]propyltrimethylammonium methyl sulphate

inchi:
InChI=1/C21H28ClN4O2S.CH4O4S/c1-26(2,3)16-4-14-23-29(27,28)20-11-9-19(10-12-20)25-15-13-21(24-25)17-5-7-18(22)8-6-17;1-5-6(2,3)4/h5-12,23H,4,13-16H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


name: Sulprostone
cas: 60325-46-4
chebiid: CHEBI:135755
chemspiderid: 29342149
dtxsid: DTXSID5049029
formula: C23H31N1O7S1
inchikey: UQZVCDCIMBLVNR-TWYODKAFSA-N
norman_susdat_id: NS00010107
pubchem_cid: 5312153
smiles: CS(=O)(=O)NC(=O)CCCC=C/C[C@@H]1[C@@H](C=C[C@@H](O)COc2ccccc2)[C@H](O)CC1=O
inchi:
InChI=1S/C23H31NO7S/c1-32(29,30)24-23(28)12-8-3-2-7-11-19-20(22(27)15-21(19)26)14-13-17(25)16-31-18-9-5-4-6-10-18/h2,4-7,9-10,13-14,17,19-20,22,25,27H,3,8,11-12,15-16H2,1H3,(H,24,28)/b7-2-,14-13+/t17-,19-,20-,22-/m1/s1


name: LY-2090314
cas: 603288-22-8
chebiid: CHEBI:167661
dtxsid: DTXSID90209085
formula: C28H25FN6O3
inchikey: HRJWTAWVFDCTGO-UHFFFAOYSA-N
norman_susdat_id: NS00069302
pubchem_cid: 10029385
smiles: O=C1NC(=O)C(c2cnc3ccccn23)=C1c1cn2c3c(cc(F)cc13)CN(C(=O)N1CCCCC1)CC2
inchi:
InChI=1S/C28H25FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9,12-14,16H,1,3-4,7-8,10-11,15H2,(H,31,36,37)


name: 6-chloro-3-phenylpyridazin-4-ol, compound with triethylamine (1:1)
cas: 60329-30-8
formula: C10H7ClN2O.C6H15N
inchikey: FWAZKHUJMVIKEB-UHFFFAOYSA-N
norman_susdat_id: NS00088071
smiles: CCN(CC)CC.Oc1cc(Cl)nnc1c2ccccc2
inchi:
InChI=1/C10H7ClN2O.C6H15N/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7;1-4-7(5-2)6-3/h1-6H,(H,12,14);4-6H2,1-3H3


name: 6-chloro-3-phenylpyridazin-4-ol, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 60329-31-9
formula: C10H7ClN2O.C6H15NO3
inchikey: IGZLZRRNVJPXKJ-UHFFFAOYSA-N
norman_susdat_id: NS00087599
smiles: OCCN(CCO)CCO.Oc1cc(Cl)nnc1c2ccccc2
inchi:
InChI=1/C10H7ClN2O.C6H15NO3/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7;8-4-1-7(2-5-9)3-6-10/h1-6H,(H,12,14);8-10H,1-6H2


name: 6-chloro-3-phenylpyridazin-4-ol, compound with piperidine (1:1)
cas: 60329-41-1
formula: C10H7ClN2O.C5H11N
inchikey: RREVNSXCHVPJOH-UHFFFAOYSA-N
norman_susdat_id: NS00087543
smiles: Oc1cc(Cl)nnc1c2ccccc2.C3CCNCC3
inchi:
InChI=1/C10H7ClN2O.C5H11N/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7;1-2-4-6-5-3-1/h1-6H,(H,12,14);6H,1-5H2


name: 6-chloro-3-phenylpyridazin-4-ol, compound with 2-(dimethylamino)ethanol (1:1)
cas: 60329-47-7
formula: C10H7ClN2O.C4H11NO
inchikey: PXDRNCIPDKTABW-UHFFFAOYSA-N
norman_susdat_id: NS00087618
smiles: CN(C)CCO.Oc1cc(Cl)nnc1c2ccccc2
inchi:
InChI=1/C10H7ClN2O.C4H11NO/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7;1-5(2)3-4-6/h1-6H,(H,12,14);6H,3-4H2,1-2H3


name: 6-chloro-3-phenylpyridazin-4-ol, compound with octylamine (1:1)
cas: 60329-61-5
formula: C10H7ClN2O.C8H19N
inchikey: RFNLTEZHTIKJSQ-UHFFFAOYSA-N
norman_susdat_id: NS00088098
smiles: CCCCCCCCN.Oc1cc(Cl)nnc1c2ccccc2
inchi:
InChI=1/C10H7ClN2O.C8H19N/c11-9-6-8(14)10(13-12-9)7-4-2-1-3-5-7;1-2-3-4-5-6-7-8-9/h1-6H,(H,12,14);2-9H2,1H3


name: (5a,6a)-7,8-didehydro-4,5-epoxy-17-methylmorphinan-3,6-diyl oleate
cas: 6033-05-2
formula: C53H83NO5
inchikey: IVKIIOBQWYMKMT-UAEJITQFSA-N
norman_susdat_id: NS00047119
pubchem_cid: NA
smiles: O=C(OC1=CC=C2C3=C1OC4C(OC(=O)CCCCCCCC=CCCCCCCCC)C=CC5C(N(C)CCC345)C2)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C53H83NO5/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-48(55)57-46-38-36-43-42-45-44-37-39-47(52-53(44,40-41-54(45)3)50(43)51(46)59-52)58-49(56)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,36-39,44-45,47,52H,4-17,22-35,40-42H2,1-3H3


name: Ethyl 3-amino-5-(trifluoromethyl)-1H-indazole-1-carboxylate
cas: 60330-12-3
chemspiderid: 97953
dtxsid: DTXSID60209097
formula: C11H10F3N3O2
inchikey: UGXOEWBGAICBHP-UHFFFAOYSA-N
norman_susdat_id: NS00034331
pubchem_cid: 108923
smiles: CCOC(=O)n1nc(N)c2c1ccc(c2)C(F)(F)F
inchi:
InChI=1S/C11H10F3N3O2/c1-2-19-10(18)17-8-4-3-6(11(12,13)14)5-7(8)9(15)16-17/h3-5H,2H2,1H3,(H2,15,16)


name: Aconitine hydrobromide
cas: 6034-57-7
formula: C34H47NO11.BrH
inchikey: QKBOPFIDNJPMBP-SQLJJGNISA-N
norman_susdat_id: NS00082429
inchi:
InChI=1/C34H47NO11.BrH/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33;/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3;1H

smiles:
Br.CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)[C@H](O)[C@](OC(=O)C)([C@@H]([C@H](OC)[C@H]23)C14)[C@H]5[C@H]6OC(=O)c7ccccc7


name: Carbamazepinglukuronid
cas: 60342-79-2
chemspiderid: 75682
formula: C21H20N2O7
inchikey: VKZWFMGCAPKSML-BMMZCLLGSA-N
norman_susdat_id: NS00003802
pubchem_cid: 83870
smiles: O[C@H]1C(NC(=O)N2c3ccccc3C=Cc3ccccc23)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O
inchi:
InChI=1S/C21H20N2O7/c24-15-16(25)18(20(27)28)30-19(17(15)26)22-21(29)23-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)23/h1-10,15-19,24-26H,(H,22,29)(H,27,28)/t15-,16-,17+,18-,19?/m0/s1


name: 2-chloro-4-nitrobenzenediazonium naphthalene-2-sulphonate
cas: 6035-19-4
formula: C10H7O3S.C6H3ClN3O2
inchikey: LKBPUFYOZCBOIB-UHFFFAOYSA-M
norman_susdat_id: NS00080840
smiles: [O-][N+](=O)c1ccc([N+]#N)c(Cl)c1.[O-]S(=O)(=O)c2ccc3ccccc3c2
inchi:
InChI=1/C10H8O3S.C6H3ClN3O2/c11-14(12,13)10-6-5-8-3-1-2-4-9(8)7-10;7-5-3-4(10(11)12)1-2-6(5)9-8/h1-7H,(H,11,12,13);1-3H/q;+1/p-1


name: Nitracridine
cas: 6035-39-8
chemspiderid: 102946
formula: C22H28N4O5
inchikey: CUFPWHJUFXFYBJ-UHFFFAOYSA-N
norman_susdat_id: NS00010493
pubchem_cid: 115023
smiles: CCN(CC)CC(CNc1c2ccc(cc2nc3c1cc(c(c3)OC)OC)[N+](=O)[O-])O
inchi:
InChI=1S/C22H28N4O5/c1-5-25(6-2)13-15(27)12-23-22-16-8-7-14(26(28)29)9-18(16)24-19-11-21(31-4)20(30-3)10-17(19)22/h7-11,15,27H,5-6,12-13H2,1-4H3,(H,23,24)


name: Noscapine
cas: 6035-40-1
chebiid: CHEBI:110185
chemspiderid: 4385
dtxsid: DTXSID4023385
formula: C22H23N1O7
inchikey: AKNNEGZIBPJZJG-UHFFFAOYSA-N
norman_susdat_id: NS00000477
pubchem_cid: 4544
smiles: CN1CCC2=CC3=C(C(=C2C1C4C5=C(C(=C(C=C5)OC)OC)C(=O)O4)OC)OCO3
inchi:
InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3


name: Fructose 1,6-bis(barium phosphate)
cas: 6035-52-5
formula: C6H14O12P2.2Ba
inchikey: XTWXMNPKAVQMQE-UHFFFAOYSA-J
norman_susdat_id: NS00080841
smiles: OC(COP1(=O)O[Ba]O1)C(O)C(O)C(=O)COP2(=O)O[Ba]O2
inchi:
InChI=1/C6H14O12P2.2Ba/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16;;/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16);;/q;2*+2/p-4/rC6H10Ba2O12P2/c9-3(1-15-21(13)17-7-18-21)5(11)6(12)4(10)2-16-22(14)19-8-20-22/h3,5-6,9,11-12H,1-2H2


name: Fructose -6-phosphate
cas: 6035-54-7
chebiid: CHEBI:47947
formula: C6H13O9P
inchikey: GSXOAOHZAIYLCY-PBXRRBTRSA-N
norman_susdat_id: NS00073028
pubchem_cid: 5459952
smiles: O=C(CO)[C@@H](O)[C@@H](O)[C@H](O)COP(=O)(O)O
inchi:
InChI=1S/C6H13O9P/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14/h4-7,9-11H,1-2H2,(H2,12,13,14)/t4-,5-,6+/m1/s1


name: D-Fructose, 6-(dihydrogen phosphate), magnesium salt (1:1)
cas: 6035-55-8
formula: C6H13O9P.Mg
inchikey: GDWOZUVKLKQSER-UHFFFAOYSA-L
norman_susdat_id: NS00081190
smiles: OCC(=O)C(O)C(O)C(O)COP1(=O)O[Mg]O1
inchi:
InChI=1/C6H13O9P.Mg/c7-1-3(8)5(10)6(11)4(9)2-15-16(12,13)14;/h4-7,9-11H,1-2H2,(H2,12,13,14);/q;+2/p-2/rC6H11MgO9P/c8-1-3(9)5(11)6(12)4(10)2-14-17(13)15-7-16-17/h4-6,8,10-12H,1-2H2


name: Bis(p-aminophenyl)-4-methylenecyclohexa-2,5-dienylideneammonium acetate
cas: 6035-94-5
dtxsid: DTXSID6064088
formula: C19H18N3
inchikey: SGIXYNZZWNIPDX-UHFFFAOYSA-M
norman_susdat_id: NS00045427
pubchem_cid: NA
smiles: O=C([O-])C.C=C1C=CC(C=C1)=[N+](C2=CC=C(N)C=C2)C3=CC=C(N)C=C3
inchi:
InChI=1/C19H18N3.C2H4O2/c1-14-2-8-17(9-3-14)22(18-10-4-15(20)5-11-18)19-12-6-16(21)7-13-19;1-2(3)4/h2-13H,1,20-21H2;1H3,(H,3,4)/q+1;/p-1


name: Isooctadecyl stearate
cas: 60350-70-1
chemspiderid: 97956
dtxsid: DTXSID80209115
formula: C36H72O2
inchikey: PYJQLUORHGLSGS-UHFFFAOYSA-N
norman_susdat_id: NS00034336
pubchem_cid: 108926
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCC(C)C
inchi:
InChI=1S/C36H72O2/c1-4-5-6-7-8-9-10-11-12-15-18-21-24-27-30-33-36(37)38-34-31-28-25-22-19-16-13-14-17-20-23-26-29-32-35(2)3/h35H,4-34H2,1-3H3


cas: 60352-98-9
dtxsid: DTXSID10886392
formula: C28H32N3O2
inchikey: UXCYGNZBYVCSMV-UHFFFAOYSA-N
norman_susdat_id: NS00054521
pubchem_cid: 162912
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NC4=CC=C(C=C4C)C)C13)NCCC[N+](C)(C)C.O=S(=O)([O-])OC
name:
[3-[[4-[(2,4-dimethylphenyl)amino]-9,10-dihydro-9,10-dioxo-1-anthryl]amino]propyl]trimethylammonium methyl sulphate

inchi:
InChI=1/C28H31N3O2.CH4O4S/c1-18-11-12-22(19(2)17-18)30-24-14-13-23(29-15-8-16-31(3,4)5)25-26(24)28(33)21-10-7-6-9-20(21)27(25)32;1-5-6(2,3)4/h6-7,9-14,17H,8,15-16H2,1-5H3,(H-,29,30,32,33);1H3,(H,2,3,4)


name: Methyl (5ß,7a)-7-acetoxy-3,12-dioxocholan-24-oate
cas: 60354-42-9
dtxsid: DTXSID00975769
formula: C27H40O6
inchikey: OMMPWAYKPXWRDV-MAWLZVMFSA-N
norman_susdat_id: NS00054545
pubchem_cid: 108927
smiles: O=C(OC1CC2CC(=O)CCC2(C)C3CC(=O)C4(C)C(CCC4C13)C(C)CCC(=O)OC)C
inchi:
InChI=1/C27H40O6/c1-15(6-9-24(31)32-5)19-7-8-20-25-21(14-23(30)27(19,20)4)26(3)11-10-18(29)12-17(26)13-22(25)33-16(2)28/h15,17,19-22,25H,6-14H2,1-5H3


name: 1H-Pyrrole-2,5-dione, 1-(3-fluoranthenyl)-
cas: 60354-76-9
chemspiderid: 97958
dtxsid: DTXSID4069397
formula: C20H11N1O2
inchikey: TUISHUGHCOJZCP-UHFFFAOYSA-N
norman_susdat_id: NS00034340
pubchem_cid: 108928
smiles: O=C1C=CC(=O)N1c1ccc2c3ccccc3c3c2c1ccc3
inchi:
InChI=1S/C20H11NO2/c22-18-10-11-19(23)21(18)17-9-8-15-13-5-2-1-4-12(13)14-6-3-7-16(17)20(14)15/h1-11H


name: Bismuth 2-propylvalerate
cas: 60364-28-5
formula: C8H16O2.xBi
inchikey: QJVJVICROBOLGY-UHFFFAOYSA-K
norman_susdat_id: NS00087634
smiles: [BiH3+3].CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-].CCCC(CCC)C(=O)[O-]
inchi:
InChI=1/3C8H16O2.Bi.3H/c3*1-3-5-7(6-4-2)8(9)10;;;;/h3*7H,3-6H2,1-2H3,(H,9,10);;;;/q;;;+3;;;/p-3/r3C8H16O2.BiH3/c3*1-3-5-7(6-4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);1H3/q;;;+3/p-3


name: Ethyl-N2-dodecanoyl-L-argininate hydrochloride
cas: 60372-77-2
chemspiderid: 9491094
dtxsid: DTXSID40209136
formula: C20H40N4O3
inchikey: CUBZMGWLVMQKNE-LMOVPXPDSA-N
norman_susdat_id: NS00021242
pubchem_cid: 25229630
smiles: Cl.CCCCCCCCCCCC(=O)N[C@@H](CCCN=C(N)N)C(=O)OCC
inchi:
InChI=1S/C20H40N4O3/c1-3-5-6-7-8-9-10-11-12-15-18(25)24-17(19(26)27-4-2)14-13-16-23-20(21)22/h17H,3-16H2,1-2H3,(H,24,25)(H4,21,22,23)/t17-/m0/s1


name: N2-(1-oxotetradecyl)-L-arginine
cas: 60372-80-7
dtxsid: DTXSID00209137
formula: C20H40N4O3
inchikey: ANKFOZDLPDQNEO-KRWDZBQOSA-N
norman_susdat_id: NS00054922
pubchem_cid: 108930
smiles: O=C(NC(C(=O)O)CCCNC(=N)N)CCCCCCCCCCCCC
inchi:
InChI=1/C20H40N4O3/c1-2-3-4-5-6-7-8-9-10-11-12-15-18(25)24-17(19(26)27)14-13-16-23-20(21)22/h17H,2-16H2,1H3,(H,24,25)(H,26,27)(H4,21,22,23)


name: 1-[1-benzyl-1,2,3,6-tetrahydro-4-pyridinyl]-1,3-dihydro-2H-benzimidazol-2-one
cas: 60373-71-9
dtxsid: DTXSID20209139
formula: C19H19N3O
inchikey: FKCKAEJWXGMCFZ-UHFFFAOYSA-N
norman_susdat_id: NS00054923
pubchem_cid: 96482
smiles: O=C1NC=2C=CC=CC2N1C3=CCN(CC=4C=CC=CC4)CC3
inchi:
InChI=1/C19H19N3O/c23-19-20-17-8-4-5-9-18(17)22(19)16-10-12-21(13-11-16)14-15-6-2-1-3-7-15/h1-10H,11-14H2,(H,20,23)


name: Methyl 3-[[[(dimethylamino)methylene]amino]sulphonyl]-5-nitro-4-phenoxybenzoate
cas: 60376-73-0
dtxsid: DTXSID40975783
formula: C17H18N3O7S
inchikey: YPJZKQJKYXBDDW-UHFFFAOYSA-N
norman_susdat_id: NS00055878
pubchem_cid: 108447
smiles: O=C(OC)C=1C=C(C(OC=2C=CC=CC2)=C(C1)S(=O)(=O)N=CN(C)C)[N+](=O)[O-]
inchi:
InChI=1/C17H17N3O7S/c1-19(2)11-18-28(24,25)15-10-12(17(21)26-3)9-14(20(22)23)16(15)27-13-7-5-4-6-8-13/h4-11H,1-3H3


name: Methyl 3-[[[(dimethylamino)methylene]amino]sulphonyl]-4-phenoxy-5-(1-pyrrolidinyl)benzoate
cas: 60376-76-3
dtxsid: DTXSID00975784
formula: C21H25N3O5S
inchikey: HBDOTWMVKQPCIB-UHFFFAOYSA-N
norman_susdat_id: NS00054924
pubchem_cid: 108448
smiles: O=C(OC)C=1C=C(C(OC=2C=CC=CC2)=C(C1)S(=O)(=O)N=CN(C)C)N3CCCC3
inchi:
InChI=1/C21H25N3O5S/c1-23(2)15-22-30(26,27)19-14-16(21(25)28-3)13-18(24-11-7-8-12-24)20(19)29-17-9-5-4-6-10-17/h4-6,9-10,13-15H,7-8,11-12H2,1-3H3


name: Ethomoxane hydrochloride
cas: 6038-78-4
dtxsid: DTXSID40975788
formula: C15H23NO3
inchikey: JAIBEXLQBQFZOW-UHFFFAOYSA-N
norman_susdat_id: NS00044197
pubchem_cid: 19127
smiles: Cl.O(C1=CC=CC=2OCC(OC12)CNCCCC)CC
inchi:
InChI=1/C15H23NO3.ClH/c1-3-5-9-16-10-12-11-18-14-8-6-7-13(17-4-2)15(14)19-12;/h6-8,12,16H,3-5,9-11H2,1-2H3;1H


name: Dodecyl bis[4-[1-(4-hydroxyphenyl)-1-methylethyl]phenyl] phosphite
cas: 60381-07-9
dtxsid: DTXSID9069398
formula: C42H55O5P
inchikey: LUIHRDSKVKNQKL-UHFFFAOYSA-N
norman_susdat_id: NS00054925
pubchem_cid: 108933
smiles: OC1=CC=C(C=C1)C(C2=CC=C(OP(OC3=CC=C(C=C3)C(C4=CC=C(O)C=C4)(C)C)OCCCCCCCCCCCC)C=C2)(C)C
inchi:
InChI=1/C42H55O5P/c1-6-7-8-9-10-11-12-13-14-15-32-45-48(46-39-28-20-35(21-29-39)41(2,3)33-16-24-37(43)25-17-33)47-40-30-22-36(23-31-40)42(4,5)34-18-26-38(44)27-19-34/h16-31,43-44H,6-15,32H2,1-5H3


name: 3-carboxy-1-methylpyridinium toluene-p-sulphonate
cas: 60388-20-7
formula: C7H8NO2.C7H7O3S
inchikey: WHOCGBIEBJQMMS-UHFFFAOYSA-N
norman_susdat_id: NS00088099
smiles: Cc1ccc(cc1)S(=O)(=O)[O-].C[n+]2cccc(c2)C(=O)O
inchi:
InChI=1/C7H7NO2.C7H8O3S/c1-8-4-2-3-6(5-8)7(9)10;1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3;2-5H,1H3,(H,8,9,10)


name: N-(4-{[(2,4-Diaminopteridin-6-yl)methyl](methyl)amino}benzoyl)glutamic acid-(DL-Amethopterin)
cas: 60388-53-6
chebiid: CHEBI:93775
chemspiderid: 3969
dtxsid: DTXSID40859034
formula: C20H22N8O5
inchikey: FBOZXECLQNJBKD-UHFFFAOYSA-N
norman_susdat_id: NS00001328
pubchem_cid: 4112
smiles: CN(CC1=CN=C2N=C(N)N=C(N)C2=N1)C1=CC=C(C=C1)C(=O)NC(CCC(O)=O)C(O)=O
inchi:
InChI=1S/C20H22N8O5/c1-28(9-11-8-23-17-15(24-11)16(21)26-20(22)27-17)12-4-2-10(3-5-12)18(31)25-13(19(32)33)6-7-14(29)30/h2-5,8,13H,6-7,9H2,1H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)


name: 17beta-Hydroxy-1alpha-methylandrost-4-ene-3-one
cas: 604-26-2
chemspiderid: 91974
dtxsid: DTXSID00209152
formula: C20H30O2
inchikey: KROXBRXHRBCDNO-IFMMWYRXSA-N
norman_susdat_id: NS00020850
pubchem_cid: 101794
smiles: C[C@H]1CC(=O)C=C2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]12C
inchi:
InChI=1S/C20H30O2/c1-12-10-14(21)11-13-4-5-15-16-6-7-18(22)19(16,2)9-8-17(15)20(12,13)3/h11-12,15-18,22H,4-10H2,1-3H3/t12-,15-,16-,17-,18-,19-,20-/m0/s1


name: Cholest-5-ene-3-beta-yl benzoate
cas: 604-32-0
dtxsid: DTXSID10897509
formula: C34H50O2
inchikey: UVZUFUGNHDDLRQ-LLHZKFLPSA-N
norman_susdat_id: NS00044072
pubchem_cid: 2723613
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)C=5C=CC=CC5
inchi:
InChI=1/C34H50O2/c1-23(2)10-9-11-24(3)29-16-17-30-28-15-14-26-22-27(36-32(35)25-12-7-6-8-13-25)18-20-33(26,4)31(28)19-21-34(29,30)5/h6-8,12-14,23-24,27-31H,9-11,15-22H2,1-5H3


name: Cholest-5-en-3ß-yl (Z,Z)-octadeca-9,12-dienoate
cas: 604-33-1
chebiid: CHEBI:41509
dtxsid: DTXSID00889357
formula: C45H76O2
inchikey: NAACPBBQTFFYQB-LJAITQKLSA-N
norman_susdat_id: NS00044073
pubchem_cid: 5287939
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)CCCCCCCC=CCC=CCCCCC
inchi:
InChI=1/C45H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-43(46)47-38-30-32-44(5)37(34-38)26-27-39-41-29-28-40(36(4)24-22-23-35(2)3)45(41,6)33-31-42(39)44/h11-12,14-15,26,35-36,38-42H,7-10,13,16-25,27-34H2,1-6H3


name: Cholest-5-en-3-ol (3.beta.)-, 3-acetate
cas: 604-35-3
chemspiderid: 193197
dtxsid: DTXSID60889358
formula: C29H48O2
inchikey: XUGISPSHIFXEHZ-UHFFFAOYSA-N
norman_susdat_id: NS00013455
pubchem_cid: 222529
smiles: CC(C)CCCC(C)C1CCC2C3CC=C4CC(CCC4(C)C3CCC12C)OC(C)=O
inchi:
InChI=1S/C29H48O2/c1-19(2)8-7-9-20(3)25-12-13-26-24-11-10-22-18-23(31-21(4)30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10,19-20,23-27H,7-9,11-18H2,1-6H3


name: Deptropine
cas: 604-51-3
chebiid: CHEBI:50189
chemspiderid: 16735768
dtxsid: DTXSID5048556
formula: C23H27N1O1
inchikey: ZWPODSUQWXAZNC-PMOLBWCYSA-N
norman_susdat_id: NS00034356
pubchem_cid: NA
smiles: OC(=O)CC(O)(CC(=O)O)C(=O)O.CN1C2CCC1CC(C2)OC1c2c(CCc3c1cccc3)cccc2
inchi:
InChI=1S/C23H27NO/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-9,18-20,23H,10-15H2,1H3/t18-,19+,20-


name: 2,2'-Binaphthyl-1,1'-diol
cas: 604-60-4
chemspiderid: 62275
dtxsid: DTXSID80209155
formula: C20H14O2
inchikey: AGUJUBACOOIWDV-UHFFFAOYSA-N
norman_susdat_id: NS00034358
pubchem_cid: 69054
smiles: Oc1c(ccc2ccccc12)c1c(O)c2c(cccc2)cc1
inchi:
InChI=1S/C20H14O2/c21-19-15-7-3-1-5-13(15)9-11-17(19)18-12-10-14-6-2-4-8-16(14)20(18)22/h1-12,21-22H


name: Oxazepam
cas: 604-75-1
chebiid: CHEBI:7823
chemspiderid: 4455
dtxsid: DTXSID1021087
formula: C15H11Cl1N2O2
inchikey: ADIMAYPTOBDMTL-UHFFFAOYSA-N
norman_susdat_id: NS00007748
pubchem_cid: 4616
smiles: OC1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O
inchi:
InChI=1S/C15H11ClN2O2/c16-10-6-7-12-11(8-10)13(9-4-2-1-3-5-9)18-15(20)14(19)17-12/h1-8,15,20H,(H,17,19)


name: S-(hydrogen succinyl)coenzyme A
cas: 604-98-8
dtxsid: DTXSID40975809
formula: C19H28N6O14P2S
inchikey: ADTCTFQRTCZMIV-UHFFFAOYSA-N
norman_susdat_id: NS00043030
pubchem_cid: NA
smiles: O=C(O)CCC(=O)SCCNC(=O)CCOP(=O)(O)OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1OP(=O)(O)O
inchi:
InChI=1/C19H28N6O14P2S/c20-17-14-18(23-8-22-17)25(9-24-14)19-15(30)16(39-40(31,32)33)10(38-19)7-37-41(34,35)36-5-3-11(26)21-4-6-42-13(29)2-1-12(27)28/h8-10,15-16,19,30H,1-7H2,(H,21,26)(H,27,28)(H,34,35)(H2,20,22,23)(H2,31,32,33)


cas: 60408-90-4
formula: C23H42NO2
norman_susdat_id: NS00101872
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[[dodecyl(phenylmethyl)iminio]di-2,1-ethanediyl]bis[.omega.-hydroxy-, chloride


cas: 6041-29-8
dtxsid: DTXSID10975816
formula: C26H32N4O3
inchikey: RIGHPYQRHWRUOY-UHFFFAOYSA-N
norman_susdat_id: NS00044885
pubchem_cid: 21115676
smiles: O=C(NCCCNCC1CCCCC1)C2=CC(NC)=C3C(=O)C=4C=CC=CC4C(=O)C3=C2N
name:
1-amino-N-[3-(cyclohexylmethylamino)propyl]-9,10-dihydro-4-(methylamino)-9,10-dioxoanthracene-2-carboxamide

inchi:
InChI=1/C26H32N4O3/c1-28-20-14-19(26(33)30-13-7-12-29-15-16-8-3-2-4-9-16)23(27)22-21(20)24(31)17-10-5-6-11-18(17)25(22)32/h5-6,10-11,14,16,28-29H,2-4,7-9,12-13,15,27H2,1H3,(H,30,33)


name: C.I. Pigment Red 2
cas: 6041-94-7
chemspiderid: 5006040
dtxsid: DTXSID3025914
formula: C23H15Cl2N3O2
inchikey: VCYBIENCKPXWDZ-SGWCAAJKSA-N
norman_susdat_id: NS00001188
pubchem_cid: 6507970
smiles: Clc1ccc(Cl)c(NN=C2C(=O)C(=Cc3ccccc23)C(=O)Nc2ccccc2)c1
inchi:
InChI=1S/C23H15Cl2N3O2/c24-15-10-11-19(25)20(13-15)27-28-21-17-9-5-4-6-14(17)12-18(22(21)29)23(30)26-16-7-2-1-3-8-16/h1-13,27H,(H,26,30)/b28-21+


name: Octadecen-9-yl hydrogen cyclohexane-1,2-dicarboxylate
cas: 60412-98-8
dtxsid: DTXSID90975819
formula: C26H46O4
inchikey: WIJVGOMSQLXAMA-UHFFFAOYSA-N
norman_susdat_id: NS00054546
pubchem_cid: 21118398
smiles: O=C(O)C1CCCCC1C(=O)OC(CCCCCCC=C)CCCCCCCCC
inchi:
InChI=1/C26H46O4/c1-3-5-7-9-11-13-15-19-22(18-14-12-10-8-6-4-2)30-26(29)24-21-17-16-20-23(24)25(27)28/h4,22-24H,2-3,5-21H2,1H3,(H,27,28)


name: norbenzoylecgonin
cas: 60426-41-7
chemspiderid: 102710
formula: C15H17N1O4
inchikey: CMYJDRSCSOXYHG-WODVXLOZSA-N
norman_susdat_id: NS00010186
pubchem_cid: NA
smiles: OC(=O)[C@@H]1C2CC[C@@H](C[C@@H]1OC(=O)c1ccccc1)N2
inchi:
InChI=1S/C15H17NO4/c17-14(18)13-11-7-6-10(16-11)8-12(13)20-15(19)9-4-2-1-3-5-9/h1-5,10-13,16H,6-8H2,(H,17,18)/t10-,11?,12-,13+/m0/s1


name: Pentazinc hydroxide tris(phosphate)
cas: 60430-04-8
formula: HO13P3Zn5
inchi: InChI=1/3H3O4P.H2O.5Zn/c3*1-5(2,3)4;;;;;;/h3*(H3,1,2,3,4);1H2;;;;;/q;;;;5*+2/p-10
inchikey: XZDVQZDZOXPGBB-UHFFFAOYSA-D
norman_susdat_id: NS00087374
smiles:
[OH-].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[Zn+2].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-].[O-]P(=O)([O-])[O-]


name: 1-methyl-2-[3-(3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl]quinolinium iodide
cas: 60435-31-6
dtxsid: DTXSID90975834
formula: C21H19N2S
inchikey: IEYXZQFNQJFMOD-UHFFFAOYSA-M
norman_susdat_id: NS00055037
pubchem_cid: NA
smiles: [I-].S1C=2C=CC=CC2N(C1=CC=CC=3C=CC=4C=CC=CC4[N+]3C)C
inchi:
InChI=1/C21H19N2S.HI/c1-22-17(15-14-16-8-3-4-10-18(16)22)9-7-13-21-23(2)19-11-5-6-12-20(19)24-21;/h3-15H,1-2H3;1H/q+1;/p-1


cas: 60435-69-0
formula: C19H11N5O4
inchikey: JRKGYSDIGGBMPD-UHFFFAOYSA-N
norman_susdat_id: NS00054589
pubchem_cid: 108942
smiles: N#CC=1C(=O)NC(O)=C(N=NC2=CC=C3C(=O)NC(=O)C4=CC=CC2=C43)C1C
name:
5-[(2,3-dihydro-1,3-dioxo-1H-benz[de]isoquinolin-6-yl)azo]-1,2-dihydro-6-hydroxy-4-methyl-2-oxonicotinonitrile

inchi:
InChI=1/C19H11N5O4/c1-8-12(7-20)18(27)22-19(28)15(8)24-23-13-6-5-11-14-9(13)3-2-4-10(14)16(25)21-17(11)26/h2-6H,1H3,(H,21,25,26)(H2,22,27,28)


name: [2-[[hydroxy[4-nitro-2-(palmitoylamino)phenoxy]phosphinyl]oxy]ethyl]trimethylammonium hydroxide
cas: 60438-73-5
dtxsid: DTXSID90209181
formula: C27H50N3O7P
inchikey: CDTKXKMMWVIQDN-UHFFFAOYSA-N
norman_susdat_id: NS00055933
pubchem_cid: NA
smiles: [OH-].O=C(NC1=CC(=CC=C1OP(=O)(O)OCC[N+](C)(C)C)[N+](=O)[O-])CCCCCCCCCCCCCCC
inchi:
InChI=1/C27H48N3O7P.H2O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27(31)28-25-23-24(29(32)33)19-20-26(25)37-38(34,35)36-22-21-30(2,3)4;/h19-20,23H,5-18,21-22H2,1-4H3,(H-,28,31,34,35);1H2


name: 10H-Phenothiazine, 3,7-dioctyl-
cas: 6044-61-7
chemspiderid: 72392
dtxsid: DTXSID5064091
formula: C28H41N1S1
inchikey: STGFANHLXUILNY-UHFFFAOYSA-N
norman_susdat_id: NS00034354
pubchem_cid: 80143
smiles: CCCCCCCCc1cc2c(Nc3c(S2)cc(CCCCCCCC)cc3)cc1
inchi:
InChI=1S/C28H41NS/c1-3-5-7-9-11-13-15-23-17-19-25-27(21-23)30-28-22-24(18-20-26(28)29-25)16-14-12-10-8-6-4-2/h17-22,29H,3-16H2,1-2H3


name: Estra-1,3,5(10)-triene-3,17a-diol 3-benzoate
cas: 6045-53-0
formula: C25H28O3
inchikey: UYIFTLBWAOGQBI-ABMICEGHSA-N
norman_susdat_id: NS00081191
smiles: C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)c5ccccc5)ccc34)[C@@H]1CC[C@H]2O
inchi:
InChI=1/C25H28O3/c1-25-14-13-20-19-10-8-18(28-24(27)16-5-3-2-4-6-16)15-17(19)7-9-21(20)22(25)11-12-23(25)26/h2-6,8,10,15,20-23,26H,7,9,11-14H2,1H3


name: 12'-hydroxy-5'a-isobutyl-2'-isopropylergotaman-3',6',18-trione phosphate
cas: 6045-63-2
formula: C32H41N5O5.xH3O4P
inchikey: PFQLMECPCIPLLO-DRHOTACKSA-N
norman_susdat_id: NS00081192
inchi:
InChI=1/C32H41N5O5.H3O4P/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20;1-5(2,3)4/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38);(H3,1,2,3,4)

smiles:
OP(O)(=O)O.CN2C[C@@H](/C=C1/c3cccc4ncc(C[C@H]12)c34)C(=O)N[C@@]5(O[C@]7(O)N(C5=O)[C@@H](CC(C)C)C(=O)N6CCC[C@H]67)C(C)C


name: 4,4'-[(2-chlorophenyl)methoxymethylene]bis[N-ethyl-o-toluidine]
cas: 60459-10-1
dtxsid: DTXSID80975868
formula: C26H31ClN2O
inchikey: GRLWPGPLHAAVLE-UHFFFAOYSA-N
norman_susdat_id: NS00054592
pubchem_cid: 108945
smiles: ClC=1C=CC=CC1C(OC)(C2=CC=C(NCC)C(=C2)C)C3=CC=C(NCC)C(=C3)C
inchi:
InChI=1/C26H31ClN2O/c1-6-28-24-14-12-20(16-18(24)3)26(30-5,22-10-8-9-11-23(22)27)21-13-15-25(29-7-2)19(4)17-21/h8-17,28-29H,6-7H2,1-5H3


name: Naphthalene, 1,2,3,4-tetrahydro-5-(1-phenylethyl)-
cas: 60466-61-7
chemspiderid: 97518
dtxsid: DTXSID7042194
formula: C18H20
inchikey: TXOHWLOHKUPUKO-UHFFFAOYSA-N
norman_susdat_id: NS00008089
pubchem_cid: 108461
smiles: CC(c1ccccc1)c1cccc2CCCCc12
inchi:
InChI=1S/C18H20/c1-14(15-8-3-2-4-9-15)17-13-7-11-16-10-5-6-12-18(16)17/h2-4,7-9,11,13-14H,5-6,10,12H2,1H3


name: N-hydroxy-2-(4-(naphthalen-2-ylsulfonyl)piperazin-1-yl)pyrimidine-5-carboxamide
cas: 604769-01-9
dtxsid: DTXSID00209218
formula: C19H19N5O4S
inchikey: MUTBJZVSRNUIHA-UHFFFAOYSA-N
norman_susdat_id: NS00069308
smiles: O=C(NO)c1cnc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)nc1
inchi:
InChI=1S/C19H19N5O4S/c25-18(22-26)16-12-20-19(21-13-16)23-7-9-24(10-8-23)29(27,28)17-6-5-14-3-1-2-4-15(14)11-17/h1-6,11-13,26H,7-10H2,(H,22,25)


name: Asparasaponin I
cas: 60478-69-5
chebiid: CHEBI:9718
chemspiderid: 390475
dtxsid: DTXSID50331659
formula: C51H84O22
inchikey: LVTJOONKWUXEFR-YFQJTNJMSA-N
norman_susdat_id: NS00094730
pubchem_cid: 441899
inchi:
InChI=1S/C51H84O22/c1-20(19-65-45-39(60)38(59)35(56)30(17-52)69-45)9-14-51(64)21(2)32-29(73-51)16-28-26-8-7-24-15-25(10-12-49(24,5)27(26)11-13-50(28,32)6)68-48-44(72-47-41(62)37(58)34(55)23(4)67-47)42(63)43(31(18-53)70-48)71-46-40(61)36(57)33(54)22(3)66-46/h7,20-23,25-48,52-64H,8-19H2,1-6H3/t20-,21-,22-,23-,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+/m0/s1

smiles:
C[C@@H](CC[C@@]1(O)O[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]2[C@@H]1C)O[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O


name: Phenacyltriphenylphosphonium bromide
cas: 6048-29-9
dtxsid: DTXSID40975889
formula: C26H22OP
inchikey: AEHDSYHVTDJGDN-UHFFFAOYSA-M
norman_susdat_id: NS00044888
pubchem_cid: 197064
smiles: [Br-].O=C(C=1C=CC=CC1)C[P+](C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C26H22OP.BrH/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;/h1-20H,21H2;1H/q+1;/p-1


cas: 60485-76-9
formula: C30H27N2S2.C7H7O3S
inchikey: NAHBMBYWGHBPJC-UHFFFAOYSA-M
norman_susdat_id: NS00088115
smiles: [O-]S(=O)(=O)c1ccc(C)cc1.CC[n+]4c5c6ccccc6ccc5sc4C=C(C)C=C3Sc2ccc1ccccc1c2N3CC
name:
1-ethyl-2-[3-(1-ethylnaphtho[1,2-d]thiazol-2(1H)-ylidene)-2-methyl-1-propenyl]naphtho[1,2-d]thiazolium toluene-p-sulphonate

inchi:
InChI=1/C30H27N2S2.C7H8O3S/c1-4-31-27(33-25-16-14-21-10-6-8-12-23(21)29(25)31)18-20(3)19-28-32(5-2)30-24-13-9-7-11-22(24)15-17-26(30)34-28;1-6-2-4-7(5-3-6)11(8,9)10/h6-19H,4-5H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: [bis[(3-phenylallyl)oxy]methyl]vinylbenzene
cas: 60487-81-2
formula: C27H26O2
inchikey: SEFQOXAMNBWQDZ-JYFOCSDGSA-N
norman_susdat_id: NS00055040
pubchem_cid: 21118401
smiles: O(CC=CC=1C=CC=CC1)C(OCC=CC=2C=CC=CC2)C(=C)C=3C=CC=CC3
inchi:
InChI=1/C27H26O2/c1-23(26-19-9-4-10-20-26)27(28-21-11-17-24-13-5-2-6-14-24)29-22-12-18-25-15-7-3-8-16-25/h2-20,27H,1,21-22H2


name: Dodecyl 5-[[3-(dodecyloxy)-3-oxopropyl]thio]-5-octyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate
cas: 60494-17-9
dtxsid: DTXSID10209229
formula: C53H104O6S3Sn
inchikey: NBIBJUKXOOTZJI-UHFFFAOYSA-K
norman_susdat_id: NS00055041
pubchem_cid: 6453988
smiles: O=C(OCCCCCCCCCCCC)CCS[Sn](SCCC(=O)OCCCCCCCCCCCC)(SCCC(=O)OCCCCCCCCCCCC)CCCCCCCC
inchi:
InChI=1/3C15H30O2S.C8H17.Sn/c3*1-2-3-4-5-6-7-8-9-10-11-13-17-15(16)12-14-18;1-3-5-7-8-6-4-2;/h3*18H,2-14H2,1H3;1,3-8H2,2H3;/q;;;;+3/p-3/rC53H104O6S3Sn/c1-5-9-13-17-21-24-27-30-33-37-44-57-51(54)41-47-60-63(50-40-36-20-16-12-8-4,61-48-42-52(55)58-45-38-34-31-28-25-22-18-14-10-6-2)62-49-43-53(56)59-46-39-35-32-29-26-23-19-15-11-7-3/h5-50H2,1-4H3


name: Dodecyl 5,5-dioctyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate
cas: 60494-18-0
dtxsid: DTXSID20209230
formula: C46H92O4S2Sn
inchikey: RGUVUEVGUNGJDC-UHFFFAOYSA-L
norman_susdat_id: NS00054605
pubchem_cid: NA
smiles: O=C(OCCCCCCCCCCCC)CCS[Sn](SCCC(=O)OCCCCCCCCCCCC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/2C15H30O2S.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-13-17-15(16)12-14-18;2*1-3-5-7-8-6-4-2;/h2*18H,2-14H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2/rC46H92O4S2Sn/c1-5-9-13-17-21-23-25-27-29-33-39-49-45(47)37-41-51-53(43-35-31-19-15-11-7-3,44-36-32-20-16-12-8-4)52-42-38-46(48)50-40-34-30-28-26-24-22-18-14-10-6-2/h5-44H2,1-4H3


name: Methyl (Z,Z)-8,8-dioctyl-3,6,10-trioxo-2,7,9-trioxa-8-stannatrideca-4,11-dien-13-oate
cas: 60494-19-1
formula: C26H44O8Sn
inchikey: UAYQUQDGJRIIMK-KYQHOYOTSA-L
norman_susdat_id: NS00054606
pubchem_cid: NA
smiles: O=C(OC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/2C8H17.2C5H6O4.Sn/c2*1-3-5-7-8-6-4-2;2*1-9-5(8)3-2-4(6)7;/h2*1,3-8H2,2H3;2*2-3H,1H3,(H,6,7);/q;;;;+2/p-2/rC26H44O8Sn/c1-5-7-9-11-13-15-21-35(22-16-14-12-10-8-6-2,33-25(29)19-17-23(27)31-3)34-26(30)20-18-24(28)32-4/h17-20H,5-16,21-22H2,1-4H3


name: (8a,9R)-10,11-dihydro-6'-[(6-methylheptyl)oxy]cinchonan-9-ol dihydrochloride
cas: 605-08-3
formula: C27H40N2O2.2ClH
inchikey: QJLBJQFPIPULNW-ZULKKXTPSA-N
norman_susdat_id: NS00080744
smiles: Cl.Cl.CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c3ccnc4ccc(OCCCCCC(C)C)cc34
inchi:
InChI=1/C27H40N2O2.2ClH/c1-4-20-18-29-14-12-21(20)16-26(29)27(30)23-11-13-28-25-10-9-22(17-24(23)25)31-15-7-5-6-8-19(2)3;;/h9-11,13,17,19-21,26-27,30H,4-8,12,14-16,18H2,1-3H3;2*1H


name: 1-ß-D-arabinofuranosyl-5-methyl-(1H,3H)-pyrimidine-2,4-dione
cas: 605-23-2
formula: C10H14N2O6
inchikey: DWRXFEITVBNRMK-UHFFFAOYSA-N
norman_susdat_id: NS00080473
smiles: CC1=CN(C2OC(CO)C(O)C2O)C(=O)NC1=O
inchi:
InChI=1/C10H14N2O6/c1-4-2-12(10(17)11-8(4)16)9-7(15)6(14)5(3-13)18-9/h2,5-7,9,13-15H,3H2,1H3,(H,11,16,17)


name: Isoamyl phthalate
cas: 605-50-5
chemspiderid: 62280
dtxsid: DTXSID80209236
formula: C18H26O4
inchikey: JANBFCARANRIKJ-UHFFFAOYSA-N
norman_susdat_id: NS00003133
pubchem_cid: 69059
smiles: CC(C)CCOC(=O)c1ccccc1C(=O)OCCC(C)C
inchi:
InChI=1S/C18H26O4/c1-13(2)9-11-21-17(19)15-7-5-6-8-16(15)18(20)22-12-10-14(3)4/h5-8,13-14H,9-12H2,1-4H3


name: 1,2-Benzenedicarboxylic acid, bis(2-ethoxyethyl) ester
cas: 605-54-9
chemspiderid: 62281
dtxsid: DTXSID7060542
formula: C16H22O6
inchikey: RMKYMNRQXYPJHL-UHFFFAOYSA-N
norman_susdat_id: NS00034385
pubchem_cid: 69060
smiles: CCOCCOC(=O)c1ccccc1C(=O)OCCOCC
inchi:
InChI=1S/C16H22O6/c1-3-19-9-11-21-15(17)13-7-5-6-8-14(13)16(18)22-12-10-20-4-2/h5-8H,3-4,9-12H2,1-2H3


name: 1-ethyl-2-[3-(1-ethyl-2(1H)-quinolylidene)prop-1-enyl]quinolinium iodide
cas: 605-91-4
chebiid: CHEBI:52218
dtxsid: DTXSID9046576
formula: C25H25N2
inchikey: QWYZFXLSWMXLDM-UHFFFAOYSA-M
norman_susdat_id: NS00043612
pubchem_cid: NA
smiles: [I-].C=1C=CC2=C(C1)C=CC(=CC=CC=3C=CC=4C=CC=CC4[N+]3CC)N2CC
inchi:
InChI=1/C25H25N2.HI/c1-3-26-22(18-16-20-10-5-7-14-24(20)26)12-9-13-23-19-17-21-11-6-8-15-25(21)27(23)4-2;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1


cas: 60501-28-2
dtxsid: DTXSID50975911
formula: C28H34N10O10S2
inchikey: WHWNVTZCOSXTAW-AATRIKPKSA-N
norman_susdat_id: NS00055935
pubchem_cid: 21118402
smiles: O=S(=O)(O)C1=CC(=CC=C1C=CC2=CC=C(C=C2S(=O)(=O)O)NC3=NC(=NC(=N3)N(C)CCO)OC)NC4=NC(=NC(=N4)N(C)CCO)OC
name:
4,4'-bis[[4-[(2-hydroxyethyl)methylamino]-6-methoxy-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulphonic acid

inchi:
InChI=1/C28H34N10O10S2/c1-37(11-13-39)25-31-23(33-27(35-25)47-3)29-19-9-7-17(21(15-19)49(41,42)43)5-6-18-8-10-20(16-22(18)50(44,45)46)30-24-32-26(38(2)12-14-40)36-28(34-24)48-4/h5-10,15-16,39-40H,11-14H2,1-4H3,(H,41,42,43)(H,44,45,46)(H,29,31,33,35)(H,30,32,34,36)


name: (Z)-[(octadec-9-enyloxy)methyl]oxirane
cas: 60501-41-9
dtxsid: DTXSID00886402
formula: C21H40O2
inchikey: DDHJMUWKDMGQFH-KTKRTIGZSA-N
norman_susdat_id: NS00055059
pubchem_cid: 6435878
smiles: O(CCCCCCCCC=CCCCCCCCC)CC1OC1
inchi:
InChI=1/C21H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19-21-20-23-21/h9-10,21H,2-8,11-20H2,1H3


name: Dipentaerythritol pentaacrylate
cas: 60506-81-2
chemspiderid: 97982
dtxsid: DTXSID7041887
formula: C25H32O12
inchikey: INXWLSDYDXPENO-UHFFFAOYSA-N
norman_susdat_id: NS00019677
pubchem_cid: 108956
smiles: OCC(COCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C
inchi:
InChI=1S/C25H32O12/c1-6-19(27)33-14-24(11-26,15-34-20(28)7-2)12-32-13-25(16-35-21(29)8-3,17-36-22(30)9-4)18-37-23(31)10-5/h6-10,26H,1-5,11-18H2


name: Gonyautoxin 2
cas: 60508-89-6
chemspiderid: 94593
dtxsid: DTXSID90880095
formula: C10H17N7O8S1
inchikey: ARSXTTJGWGCRRR-ORQQJGPTSA-N
norman_susdat_id: NS00004724
pubchem_cid: 49789060
smiles: NC(=O)OC[C@@H]1N=C(N)N2C[C@@H](OS(O)(=O)=O)C(O)(O)C22N=C(N)N[C@@H]12
inchi:
InChI=1S/C10H17N7O8S/c11-6-15-5-3(2-24-8(13)18)14-7(12)17-1-4(25-26(21,22)23)10(19,20)9(5,17)16-6/h3-5,19-20H,1-2H2,(H2,12,14)(H2,13,18)(H3,11,15,16)(H,21,22,23)/t3-,4+,5-,9?/m0/s1


name: Tris[4-[(3-methylphenyl)amino]phenyl]methylium sulphate (2:1)
cas: 60518-05-0
dtxsid: DTXSID60886403
formula: C40H36N3
inchikey: ZQXQKEKKCWMSEP-UHFFFAOYSA-L
norman_susdat_id: NS00054985
pubchem_cid: 20846698
inchi:
InChI=1/2C40H37N3.H2O4S/c2*1-28-7-4-10-37(25-28)41-34-19-13-31(14-20-34)40(32-15-21-35(22-16-32)42-38-11-5-8-29(2)26-38)33-17-23-36(24-18-33)43-39-12-6-9-30(3)27-39;1-5(2,3)4/h2*4-27,40-43H,1-3H3;(H2,1,2,3,4)/q2*+1;/p-2

smiles:
O=S(=O)([O-])[O-].C=1C=C(C=C(C1)C)NC2=CC=C(C=C2)[C+](C3=CC=C(C=C3)NC4=CC=CC(=C4)C)C5=CC=C(C=C5)NC6=CC=CC(=C6)C.C=1C=C(C=C(C1)C)NC2=CC=C(C=C2)[C+](C3=CC=C(C=C3)NC4=CC=CC(=C4)C)C5=CC=C(C=C5)NC6=CC=CC(=C6)C


name: 4-Hexadecylsulphonylaniline
cas: 6052-20-6
chemspiderid: 72400
dtxsid: DTXSID10209264
formula: C22H39N1O2S1
inchikey: CQZYNBUYMYMJFW-UHFFFAOYSA-N
norman_susdat_id: NS00034376
pubchem_cid: 80151
smiles: CCCCCCCCCCCCCCCCS(=O)(=O)c1ccc(N)cc1
inchi:
InChI=1S/C22H39NO2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-26(24,25)22-18-16-21(23)17-19-22/h16-19H,2-15,20,23H2,1H3


name: [2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl] 2-iodobenzoate
cas: 6052-90-0
chemspiderid: 2157643
dtxsid: DTXSID90387175
formula: C17H13I1O5
inchikey: MZNJCUWTHLMYKY-UHFFFAOYSA-N
norman_susdat_id: NS00005688
pubchem_cid: 2883163
smiles: Ic1ccccc1C(=O)OCC(=O)c1ccc2OCCOc2c1
inchi:
InChI=1S/C17H13IO5/c18-13-4-2-1-3-12(13)17(20)23-10-14(19)11-5-6-15-16(9-11)22-8-7-21-15/h1-6,9H,7-8,10H2


cas: 60520-30-1
dtxsid: DTXSID20886404
formula: C39H55ClN6O5
inchikey: JOLWJJOUIJWCAH-UHFFFAOYSA-N
norman_susdat_id: NS00055031
pubchem_cid: 173744
smiles: O=C(NC1=CC=C(Cl)C(=C1)NC(=O)C(C(=O)C(C)(C)C)N2N=C(N=C2)N3CCOCC3)CCCOC4=CC=C(C=C4C(C)(C)CC)C(C)(C)CC
name:
N-[5-[[4-[2,4-bis(tert-pentyl)phenoxy]butyryl]amino]-2-chlorophenyl]-a-pivaloyl-3-morpholino-1H-1,2,4-triazole-1-acetamide

inchi:
InChI=1/C39H55ClN6O5/c1-10-38(6,7)26-14-17-31(28(23-26)39(8,9)11-2)51-20-12-13-32(47)42-27-15-16-29(40)30(24-27)43-35(49)33(34(48)37(3,4)5)46-25-41-36(44-46)45-18-21-50-22-19-45/h14-17,23-25,33H,10-13,18-22H2,1-9H3,(H,42,47)(H,43,49)


name: Sodium N-[2-[bis(carboxymethyl)amino]ethyl]-N-(hydroxymethyl)glycinate
cas: 60520-46-9
dtxsid: DTXSID10975932
formula: C9H16N2O7
inchikey: IICYWTWAFICKBQ-UHFFFAOYSA-M
norman_susdat_id: NS00055032
pubchem_cid: 59908
smiles: [Na+].O=C([O-])CN(CO)CCN(CC(=O)O)CC(=O)O
inchi:
InChI=1/C9H16N2O7.Na/c12-6-11(5-9(17)18)2-1-10(3-7(13)14)4-8(15)16;/h12H,1-6H2,(H,13,14)(H,15,16)(H,17,18);/q;+1/p-1


name: Zimelidine
cas: 60525-15-7
dtxsid: DTXSID80860705
formula: C16H17BrN2
inchikey: OYPPVKRFBIWMSX-CXUHLZMHSA-N
norman_susdat_id: NS00070380
pubchem_cid: 5458656
smiles: CN(C)C/C=C(c1ccc(Br)cc1)c1cccnc1
inchi:
InChI=1S/C16H17BrN2/c1-19(2)11-9-16(14-4-3-10-18-12-14)13-5-7-15(17)8-6-13/h3-10,12H,11H2,1-2H3/b16-9+


name: Disodium 5-carboxylato-4-hexylcyclohex-2-ene-1-octanoate
cas: 60532-96-9
formula: C21H36O4.2Na
inchikey: UAQIGVSGAWVUTO-UHFFFAOYSA-L
norman_susdat_id: NS00087657
smiles: [Na+].[Na+].CCCCCCC1C=CC(CCCCCCCC(=O)[O-])CC1C(=O)[O-]
inchi:
InChI=1/C21H36O4.2Na/c1-2-3-4-9-12-18-15-14-17(16-19(18)21(24)25)11-8-6-5-7-10-13-20(22)23;;/h14-15,17-19H,2-13,16H2,1H3,(H,22,23)(H,24,25);;/q;2*+1/p-2


name: ß-ethylidene-6-methoxy-a,a-dimethylnaphthalene-2-propionic acid
cas: 60533-05-3
dtxsid: DTXSID60975947
formula: C18H20O3
inchikey: ARMLYYXIJXARED-UHFFFAOYSA-N
norman_susdat_id: NS00054646
pubchem_cid: 108471
smiles: O=C(O)C(C(=CC)C1=CC=C2C=C(OC)C=CC2=C1)(C)C
inchi:
InChI=1/C18H20O3/c1-5-16(18(2,3)17(19)20)14-7-6-13-11-15(21-4)9-8-12(13)10-14/h5-11H,1-4H3,(H,19,20)


name: 1-Naphthalenamine, 4-[(4-aminophenyl)azo]-
cas: 6054-48-4
chemspiderid: 21039
dtxsid: DTXSID0064096
formula: C16H14N4
inchikey: QDPSGELUBXFKSB-UHFFFAOYSA-N
norman_susdat_id: NS00021244
pubchem_cid: 22416
smiles: Nc1ccc(cc1)N=Nc1c2ccccc2c(N)cc1
inchi:
InChI=1S/C16H14N4/c17-11-5-7-12(8-6-11)19-20-16-10-9-15(18)13-3-1-2-4-14(13)16/h1-10H,17-18H2/b20-19-


name: 6-[(2-chloro-4-nitrophenyl)azo]-1,2,3,4-tetrahydrobenzo[h]quinoline-3,7-diol
cas: 6054-53-1
dtxsid: DTXSID30975954
formula: C19H16ClN4O4
inchikey: HKSAZUBSSVBNCA-UHFFFAOYSA-N
norman_susdat_id: NS00044981
pubchem_cid: 136170976
smiles: O=[N+]([O-])C1=CC=C(N=NC2=CC3=C(NCC(O)C3)C=4C=CC=C(O)C24)C(Cl)=C1
inchi:
InChI=1/C19H15ClN4O4/c20-14-8-11(24(27)28)4-5-15(14)22-23-16-7-10-6-12(25)9-21-19(10)13-2-1-3-17(26)18(13)16/h1-5,7-8,12,21,25-26H,6,9H2


name: Disodium 5,10-dianilino-3,8-dichloropyrene-1,6-diyl bis(sulphate)
cas: 6054-59-7
formula: C28H18Cl2N2O8S2
inchikey: QGXMPHRBUQFMEA-UHFFFAOYSA-L
norman_susdat_id: NS00044231
pubchem_cid: 45050589
inchi:
InChI=1/C28H18Cl2N2O8S2.2Na/c29-19-14-24(40-42(36,37)38)28-22(32-16-9-5-2-6-10-16)12-18-20(30)13-23(39-41(33,34)35)27-21(11-17(19)26(28)25(18)27)31-15-7-3-1-4-8-15;;/h1-14,31-32H,(H,33,34,35)(H,36,37,38);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])OC1=CC(Cl)=C2C=C(NC=3C=CC=CC3)C=4C(OS(=O)(=O)[O-])=CC(Cl)=C5C=C(NC=6C=CC=CC6)C1=C2C54


name: Sodium 3-[(2,4-diaminophenyl)azo]-4-hydroxybenzenesulphonate
cas: 6054-80-4
formula: C12H12N4O4S
inchikey: UIDYZUQMPXFGED-UHFFFAOYSA-M
norman_susdat_id: NS00044947
pubchem_cid: 3014417
smiles: [Na+].O=S(=O)([O-])C1=CC=C(O)C(N=NC2=CC=C(N)C=C2N)=C1
inchi:
InChI=1/C12H12N4O4S.Na/c13-7-1-3-10(9(14)5-7)15-16-11-6-8(21(18,19)20)2-4-12(11)17;/h1-6,17H,13-14H2,(H,18,19,20);/q;+1/p-1


name: Sodium 3-[(2,4-diaminophenyl)azo]-4-hydroxy-5-nitrobenzenesulphonate
cas: 6054-81-5
formula: C12H12N5O6S
inchikey: BTNKHVPQGWBUCE-UHFFFAOYSA-M
norman_susdat_id: NS00045460
pubchem_cid: NA
smiles: [Na+].O=[N+]([O-])C1=CC(=CC(N=NC2=CC=C(N)C=C2N)=C1O)S(=O)(=O)[O-]
inchi:
InChI=1/C12H11N5O6S.Na/c13-6-1-2-9(8(14)3-6)15-16-10-4-7(24(21,22)23)5-11(12(10)18)17(19)20;/h1-5,18H,13-14H2,(H,21,22,23);/q;+1/p-1


cas: 6054-86-0
formula: C16H13N5O7S.Na
inchikey: YAJDUQNWUWXIBO-UHFFFAOYSA-M
norman_susdat_id: NS00081241
smiles: [Na+].[O-][N+](=O)c3cc(N=NC2C(\C)=N/N(c1ccccc1)C2=O)c(O)c(c3)S([O-])(=O)=O
name:
Sodium 3-[(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)azo]-2-hydroxy-5-nitrobenzenesulphonate

inchi:
InChI=1/C16H13N5O7S.Na/c1-9-14(16(23)20(19-9)10-5-3-2-4-6-10)18-17-12-7-11(21(24)25)8-13(15(12)22)29(26,27)28;/h2-8,14,22H,1H3,(H,26,27,28);/q;+1/p-1


cas: 6054-90-6
formula: C23H19N6O8S
inchikey: NDGAERPDXCMDBQ-UHFFFAOYSA-M
norman_susdat_id: NS00045001
pubchem_cid: NA
smiles: [Na+].O=C([O-])C=1C=CC=CC1NS(=O)(=O)C=2C=CC=C(C2)N3N=C(C)C(N=NC4=CC=C(C=C4O)[N+](=O)[O-])C3=O
name:
Sodium 2-[[[3-[4,5-dihydro-4-[(2-hydroxy-4-nitrophenyl)azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]phenyl]sulphonyl]amino]benzoate

inchi:
InChI=1/C23H18N6O8S.Na/c1-13-21(25-24-19-10-9-15(29(34)35)12-20(19)30)22(31)28(26-13)14-5-4-6-16(11-14)38(36,37)27-18-8-3-2-7-17(18)23(32)33;/h2-12,21,27,30H,1H3,(H,32,33);/q;+1/p-1


name: Disodium 5,5'-azodisalicylate
cas: 6054-98-4
chebiid: CHEBI:63614
formula: C14H10N2O6.2Na
inchikey: ZJEFYLVGGFISGT-UHFFFAOYSA-L
norman_susdat_id: NS00081219
smiles: [Na+].[Na+].O=C([O-])c1cc(ccc1O)N=Nc2cc(C([O-])=O)c(O)cc2
inchi:
InChI=1/C14H10N2O6.2Na/c17-11-3-1-7(5-9(11)13(19)20)15-16-8-2-4-12(18)10(6-8)14(21)22;;/h1-6,17-18H,(H,19,20)(H,21,22);;/q;2*+1/p-2


name: Disodium 5-(p-sulphophenylazo)salicylate
cas: 6054-99-5
dtxsid: DTXSID0064098
formula: C13H10N2O6S
inchikey: LSBGBIDBYAUYNL-UHFFFAOYSA-L
norman_susdat_id: NS00044964
pubchem_cid: 80158
inchi:
InChI=1/2C13H10N2O6S.2Na/c2*16-12-6-3-9(7-11(12)13(17)18)15-14-8-1-4-10(5-2-8)22(19,20)21;;/h2*1-7,16H,(H,17,18)(H,19,20,21);;/q;;2*+1/p-2

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


name: Tris(2-hydroxyethyl)ammonium trihydrogen ethylenediaminetetraacetate
cas: 60544-70-9
formula: C10H16N2O8.C6H15NO3
inchikey: YXSJRZBKSLLIOM-UHFFFAOYSA-K
norman_susdat_id: NS00087702
smiles: OCC[NH+](CCO)CCO.[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]
inchi:
InChI=1/C10H16N2O8.C6H15NO3/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;8-4-1-7(2-5-9)3-6-10/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);8-10H,1-6H2/p-3


name: 2-(1-Piperazinyl)-4-amino-6,7-dimethoxyquinazoline
cas: 60547-97-9
chemspiderid: 535598
dtxsid: DTXSID00209293
formula: C14H19N5O2
inchikey: APKHJGDGWQDBGM-UHFFFAOYSA-N
norman_susdat_id: NS00034381
pubchem_cid: 616267
smiles: COc1c(OC)cc2c(N)nc(nc2c1)N1CCNCC1
inchi:
InChI=1S/C14H19N5O2/c1-20-11-7-9-10(8-12(11)21-2)17-14(18-13(9)15)19-5-3-16-4-6-19/h7-8,16H,3-6H2,1-2H3,(H2,15,17,18)


name: Aconitine hydrochloride
cas: 6055-69-2
formula: C34H47NO11.ClH
inchikey: GTRQCTQDPIUIMX-SQLJJGNISA-N
norman_susdat_id: NS00081495
inchi:
InChI=1/C34H47NO11.ClH/c1-7-35-15-31(16-41-3)20(37)13-21(42-4)33-19-14-32(40)28(45-30(39)18-11-9-8-10-12-18)22(19)34(46-17(2)36,27(38)29(32)44-6)23(26(33)35)24(43-5)25(31)33;/h8-12,19-29,37-38,40H,7,13-16H2,1-6H3;1H

smiles:
Cl.CCN1C[C@]2(COC)[C@H](O)C[C@H](OC)[C@@]34[C@@H]5C[C@]6(O)[C@@H](OC)[C@H](O)[C@](OC(=O)C)([C@@H]([C@H](OC)[C@H]23)C14)[C@H]5[C@H]6OC(=O)c7ccccc7


name: D-Tagatose 1,6-diphosphate
cas: 6055-82-9
chebiid: CHEBI:49093
dtxsid: DTXSID30204099
formula: C6H14O12P2
inchikey: XPYBSIWDXQFNMH-PQLUHFTBSA-N
norman_susdat_id: NS00069895
pubchem_cid: 189150
smiles: O=C(COP(=O)(O)O)[C@@H](O)[C@@H](O)[C@H](O)COP(=O)(O)O
inchi:
InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5+,6-/m1/s1


name: 3-phenylpropyl 5-oxoprolinate
cas: 60555-56-8
dtxsid: DTXSID40975965
formula: C14H17NO3
inchikey: SOIVJGYTVHDYQH-UHFFFAOYSA-N
norman_susdat_id: NS00055099
pubchem_cid: 108473
smiles: O=C(OCCCC=1C=CC=CC1)C2NC(=O)CC2
inchi:
InChI=1/C14H17NO3/c16-13-9-8-12(15-13)14(17)18-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2,(H,15,16)


name: 4-phenylbutyl 5-oxoprolinate
cas: 60555-59-1
dtxsid: DTXSID20975968
formula: C15H19NO3
inchikey: LJTCEFYINQOTMA-UHFFFAOYSA-N
norman_susdat_id: NS00055980
pubchem_cid: 108476
smiles: O=C(OCCCCC=1C=CC=CC1)C2NC(=O)CC2
inchi:
InChI=1/C15H19NO3/c17-14-10-9-13(16-14)15(18)19-11-5-4-8-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2,(H,16,17)


name: [(phenylmethyl)imino]bis(methylene)]bisphosphonic acid
cas: 6056-53-7
dtxsid: DTXSID20975988
formula: C9H15NO6P2
inchikey: OWIOSXILXLIEGX-UHFFFAOYSA-N
norman_susdat_id: NS00044966
pubchem_cid: 80162
smiles: O=P(O)(O)CN(CC=1C=CC=CC1)CP(=O)(O)O
inchi:
InChI=1/C9H15NO6P2/c11-17(12,13)7-10(8-18(14,15)16)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,11,12,13)(H2,14,15,16)


name: Pinacidil
cas: 60560-33-0
chebiid: CHEBI:34923
dtxsid: DTXSID7048249
formula: C13H19N5
inchikey: AFJCNBBHEVLGCZ-UHFFFAOYSA-N
norman_susdat_id: NS00055981
pubchem_cid: 55329
smiles: N#CNC(=NC=1C=CN=CC1)NC(C)C(C)(C)C.O
inchi:
InChI=1/C13H19N5.H2O/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11;/h5-8,10H,1-4H3,(H2,15,16,17,18);1H2


name: Sufentanil citrate
cas: 60561-17-3
chebiid: CHEBI:9317
dtxsid: DTXSID5048928
formula: C28H38N2O9S
inchikey: OJCZPLDERGDQRJ-UHFFFAOYSA-N
norman_susdat_id: NS00076344
smiles: OC(=O)CC(O)(CC(O)=O)C(O)=O.CCC(=O)N(C1=CC=CC=C1)C1(COC)CCN(CCC2=CC=CS2)CC1
inchi:
InChI=1S/C22H30N2O2S.C6H8O7/c1-3-21(25)24(19-8-5-4-6-9-19)22(18-26-2)12-15-23(16-13-22)14-11-20-10-7-17-27-20;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-10,17H,3,11-16,18H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)


name: Ethyl 5-acetyl-2-benzyloxybenzoate
cas: 60561-28-6
chemspiderid: 97990
dtxsid: DTXSID50209364
formula: C18H18O4
inchikey: XYYPNTNMOUPRLG-UHFFFAOYSA-N
norman_susdat_id: NS00034387
pubchem_cid: 108964
smiles: CCOC(=O)c1cc(ccc1OCc1ccccc1)C(=O)C
inchi:
InChI=1S/C18H18O4/c1-3-21-18(20)16-11-15(13(2)19)9-10-17(16)22-12-14-7-5-4-6-8-14/h4-11H,3,12H2,1-2H3


name: Benzoic acid, 4-[[2-(acetylamino)-4-(diethylamino)phenyl]azo]-
cas: 60568-54-9
chemspiderid: 97992
dtxsid: DTXSID1069409
formula: C19H22N4O3
inchikey: KJWDSORZBMHXTG-UHFFFAOYSA-N
norman_susdat_id: NS00034392
pubchem_cid: 108966
smiles: CCN(CC)c1cc(NC(=O)C)c(cc1)N=Nc1ccc(cc1)C(=O)O
inchi:
InChI=1S/C19H22N4O3/c1-4-23(5-2)16-10-11-17(18(12-16)20-13(3)24)22-21-15-8-6-14(7-9-15)19(25)26/h6-12H,4-5H2,1-3H3,(H,20,24)(H,25,26)/b22-21-


name: Propiverine
cas: 60569-19-9
chebiid: CHEBI:8493
chemspiderid: 4773
dtxsid: DTXSID5048265
formula: C23H29N1O3
inchikey: QPCVHQBVMYCJOM-UHFFFAOYSA-N
norman_susdat_id: NS00002772
pubchem_cid: 4942
smiles: CCCOC(C(=O)OC1CCN(C)CC1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C23H29NO3/c1-3-18-26-23(19-10-6-4-7-11-19,20-12-8-5-9-13-20)22(25)27-21-14-16-24(2)17-15-21/h4-13,21H,3,14-18H2,1-2H3


cas: 6058-62-4
formula: C34H24Cl2N12O16S5
inchikey: ZRCJIGDQHDCZMJ-UHFFFAOYSA-I
norman_susdat_id: NS00044250
pubchem_cid: NA
name:
2,7-Naphthalenedisulfonic acid, 5-[[4-chloro-6-[[3-[[4-chloro-6-[(3-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-6-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-4-hydroxy-3-[(2-sulfophenyl)azo]-, pentasodium salt

inchi:
InChI=1/C34H24Cl2N12O16S5.5Na/c35-29-41-31(37-16-4-3-5-18(12-16)65(50,51)52)45-32(42-29)38-17-8-9-24(68(59,60)61)21(13-17)39-33-43-30(36)44-34(46-33)40-22-14-19(66(53,54)55)10-15-11-25(69(62,63)64)27(28(49)26(15)22)48-47-20-6-1-2-7-23(20)67(56,57)58;;;;;/h1-14,49H,(H,50,51,52)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,37,38,41,42,45)(H2,39,40,43,44,46);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(C1)NC2=NC(Cl)=NC(=N2)NC3=CC=C(C(=C3)NC4=NC(Cl)=NC(=N4)NC5=CC(=CC6=CC(=C(N=NC=7C=CC=CC7S(=O)(=O)[O-])C(O)=C65)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-]


name: Lead 5-nitroterephthalate
cas: 60580-60-1
formula: C8H5NO6.Pb
inchikey: BBUSXYPIFFHFHF-UHFFFAOYSA-L
norman_susdat_id: NS00087944
smiles: [Pb+2].O=[N+]([O-])C=1/C=C(\C=C/C=1C([O-])=O)C([O-])=O
inchi:
InChI=1/C8H5NO6.Pb.2H/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;;;/h1-3H,(H,10,11)(H,12,13);;;/q;+4;;/p-2/rC8H5NO6.H2Pb/c10-7(11)4-1-2-5(8(12)13)6(3-4)9(14)15;/h1-3H,(H,10,11)(H,12,13);1H2/q;+4/p-2


name: 2-butoxyethyl a-phenylpiperidine-1-acetate hydrobromide
cas: 60595-56-4
formula: C19H29NO3.BrH
inchikey: DIKZTARJMXAIGZ-UHFFFAOYSA-N
norman_susdat_id: NS00087946
smiles: Br.CCCCOCCOC(=O)C(N1CCCCC1)c2ccccc2
inchi:
InChI=1/C19H29NO3.BrH/c1-2-3-14-22-15-16-23-19(21)18(17-10-6-4-7-11-17)20-12-8-5-9-13-20;/h4,6-7,10-11,18H,2-3,5,8-9,12-16H2,1H3;1H


name: 1,3,5-tribenzyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
cas: 606-03-1
dtxsid: DTXSID4074851
formula: C24H21N3O3
inchikey: PIBKGXNSYQOGKL-UHFFFAOYSA-N
norman_susdat_id: NS00043031
pubchem_cid: 11805
smiles: O=C1N(C(=O)N(C(=O)N1CC=2C=CC=CC2)CC=3C=CC=CC3)CC=4C=CC=CC4
inchi:
InChI=1/C24H21N3O3/c28-22-25(16-19-10-4-1-5-11-19)23(29)27(18-21-14-8-3-9-15-21)24(30)26(22)17-20-12-6-2-7-13-20/h1-15H,16-18H2


name: 2-amino-2-methylpropanol 8-bromotheophyllinate
cas: 606-04-2
formula: C7H7BrN4O2.C4H11NO
inchikey: ATOTUUBRFJHZQG-UHFFFAOYSA-N
norman_susdat_id: NS00080759
smiles: CN1C(=O)N(C)c2[nH]c(Br)nc2C1=O.CC(C)(N)CO
inchi:
InChI=1/C7H7BrN4O2.C4H11NO/c1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14;1-4(2,5)3-6/h1-2H3,(H,9,10);6H,3,5H2,1-2H3


name: Coenzyme Q2
cas: 606-06-4
chebiid: CHEBI:46372
chemspiderid: 10618674
formula: C19H26O4
inchikey: SQQWBSBBCSFQGC-JLHYYAGUSA-N
norman_susdat_id: NS00014814
pubchem_cid: 5280346
smiles: O=C1/C(=C(C(=O)C(OC)=C1OC)C)CC=C(/C)CCC=C(/C)C
inchi:
InChI=1S/C19H26O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10H,7,9,11H2,1-6H3/b13-10+


name: Iodipamide
cas: 606-17-7
chebiid: CHEBI:31176
chemspiderid: 3608
dtxsid: DTXSID6023153
formula: C20H14I6N2O6
inchikey: FFINMCNLQNTKLU-UHFFFAOYSA-N
norman_susdat_id: NS00008576
pubchem_cid: 3739
smiles: OC(=O)c1c(I)cc(I)c(NC(=O)CCCCC(=O)Nc2c(I)cc(I)c(C(O)=O)c2I)c1I
inchi:
InChI=1S/C20H14I6N2O6/c21-7-5-9(23)17(15(25)13(7)19(31)32)27-11(29)3-1-2-4-12(30)28-18-10(24)6-8(22)14(16(18)26)20(33)34/h5-6H,1-4H2,(H,27,29)(H,28,30)(H,31,32)(H,33,34)


name: Toyocamycin
cas: 606-58-6
chebiid: CHEBI:134606
chemspiderid: 11331
formula: C12H13N5O4
inchikey: XOKJUSAYZUAMGJ-WOUKDFQISA-N
norman_susdat_id: NS00011705
pubchem_cid: 11824
smiles: c1c(c2c(ncnc2n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N)C#N
inchi:
InChI=1S/C12H13N5O4/c13-1-5-2-17(11-7(5)10(14)15-4-16-11)12-9(20)8(19)6(3-18)21-12/h2,4,6,8-9,12,18-20H,3H2,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1


name: Dihydronicotinamide-adenine dinucleotide, disodium salt
cas: 606-68-8
formula: C21H29N7O14P2.2Na
inchikey: WKKIRQKXAMSMMM-UHFFFAOYSA-L
norman_susdat_id: NS00080516
smiles: NC(=O)C1=CN(C=CC1)C2(COP(=O)(O[Na])OP(=O)(O)O[Na])OC(C(O)C2O)n3cnc4c(N)ncnc34
inchi:
InChI=1/C16H21N7O11P2.2Na/c17-12-9-14(20-6-19-12)23(7-21-9)15-10(24)11(25)16(33-15,5-32-36(30,31)34-35(27,28)29)22-3-1-2-8(4-22)13(18)26;;/h1,3-4,6-7,10-11,15,24-25H,2,5H2,(H2,18,26)(H,30,31)(H2,17,19,20)(H2,27,28,29);;/q;2*+1/p-2/rC16H19N7Na2O11P2/c17-12-9-14(20-6-19-12)23(7-21-9)15-10(26)11(27)16(33-15,22-3-1-2-8(4-22)13(18)28)5-32-38(31,35-25)36-37(29,30)34-24/h1,3-4,6-7,10-11,15,26-27H,2,5H2,(H2,18,28)(H,29,30)(H2,17,19,20)


name: Piprinhydrinate
cas: 606-90-6
formula: C19H23NO.C7H7ClN4O2
inchikey: JSNIFGPPGAINSG-UHFFFAOYSA-N
norman_susdat_id: NS00080479
smiles: CN1CCC(CC1)OC(c2ccccc2)c3ccccc3.CN4C(=O)N(C)c5[nH]c(Cl)nc5C4=O
inchi:
InChI=1/C19H23NO.C7H7ClN4O2/c1-20-14-12-18(13-15-20)21-19(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h2-11,18-19H,12-15H2,1H3;1-2H3,(H,9,10)


name: Oxatomide
cas: 60607-34-3
chebiid: CHEBI:31943
chemspiderid: 4454
dtxsid: DTXSID4045181
formula: C27H30N4O1
inchikey: BAINIUMDFURPJM-UHFFFAOYSA-N
norman_susdat_id: NS00004457
pubchem_cid: 4615
smiles: O=c1[nH]c2ccccc2n1CCCN1CCN(CC1)C(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C27H30N4O/c32-27-28-24-14-7-8-15-25(24)31(27)17-9-16-29-18-20-30(21-19-29)26(22-10-3-1-4-11-22)23-12-5-2-6-13-23/h1-8,10-15,26H,9,16-21H2,(H,28,32)


name: Topterone
cas: 60607-35-4
chemspiderid: 39526
dtxsid: DTXSID20209417
formula: C22H34O2
inchikey: LZSOOHLAZHOTHJ-GUCLMQHLSA-N
norman_susdat_id: NS00034403
pubchem_cid: 9797605
smiles: CCC[C@]1(O)CC[C@H]2C3CCC4=CC(=O)CCC4(C)[C@H]3CCC12C
inchi:
InChI=1S/C22H34O2/c1-4-10-22(24)13-9-19-17-6-5-15-14-16(23)7-11-20(15,2)18(17)8-12-21(19,22)3/h14,17-19,24H,4-13H2,1-3H3/t17-,18-,19-,20-,21+,22-/m0/s1


name: Indenolol
cas: 60607-68-3
formula: C15H21NO2
inchikey: MPGBPFMOOXKQRX-UHFFFAOYSA-N
norman_susdat_id: NS00054644
pubchem_cid: 71955
smiles: OC(COC1=CC=CC2=C1C=CC2)CNC(C)C
inchi:
InChI=1/C15H21NO2/c1-11(2)16-9-13(17)10-18-15-8-4-6-12-5-3-7-14(12)15/h3-4,6-8,11,13,16-17H,5,9-10H2,1-2H3


name: Selumetinib
cas: 606143-52-6
chebiid: CHEBI:90227
dtxsid: DTXSID3048944
formula: C17H15BrClFN4O3
inchikey: CYOHGALHFOKKQC-UHFFFAOYSA-N
norman_susdat_id: NS00071922
pubchem_cid: 10127622
smiles: Cn1cnc2c(F)c(Nc3ccc(Br)cc3Cl)c(C(=O)NOCCO)cc21
inchi:
InChI=1S/C17H15BrClFN4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)


name: Binimetinib
cas: 606143-89-9
chebiid: CHEBI:145371
dtxsid: DTXSID70209422
formula: C17H15BrF2N4O3
inchikey: ACWZRVQXLIRSDF-UHFFFAOYSA-N
norman_susdat_id: NS00072273
pubchem_cid: 10288191
smiles: Cn1cnc2c(F)c(Nc3ccc(Br)cc3F)c(C(=O)NOCCO)cc21
inchi:
InChI=1S/C17H15BrF2N4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26)


name: 1,5-bis[4-(2,3-epoxypropyloxy)phenyl]penta-1,4-dien-3-one
cas: 60618-05-5
formula: C23H22O5
inchikey: IRSZHSGBVKNAAI-UHFFFAOYSA-N
norman_susdat_id: NS00054732
pubchem_cid: 108482
smiles: O=C(C=CC1=CC=C(OCC2OC2)C=C1)C=CC3=CC=C(OCC4OC4)C=C3
inchi:
InChI=1/C23H22O5/c24-19(7-1-17-3-9-20(10-4-17)25-13-22-15-27-22)8-2-18-5-11-21(12-6-18)26-14-23-16-28-23/h1-12,22-23H,13-16H2


name: 4-Methoxymethylfentanyl
cas: 60618-49-7
dtxsid: DTXSID30209423
formula: C24H32N2O2
inchikey: GARXJOUQUSNOGK-UHFFFAOYSA-N
norman_susdat_id: NS00070003
pubchem_cid: 124716
smiles: CCC(=O)N(c1ccccc1)C1(COC)CCN(CCc2ccccc2)CC1
inchi:
InChI=1S/C24H32N2O2/c1-3-23(27)26(22-12-8-5-9-13-22)24(20-28-2)15-18-25(19-16-24)17-14-21-10-6-4-7-11-21/h4-13H,3,14-20H2,1-2H3


cas: 60619-55-8
chemspiderid: 4588672
dtxsid: DTXSID90209424
formula: C32H41N1O16
inchikey: UPTFTWONNQNOMG-JRXLSPJQSA-N
norman_susdat_id: NS00034405
pubchem_cid: 5485265
name:
3-((6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl)oxy)-6-((diethylamino)methyl)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one

inchi:
InChI=1S/C32H41NO16/c1-4-33(5-2)10-14-16(35)9-18-20(22(14)38)24(40)30(29(47-18)13-6-7-15(34)17(36)8-13)49-32-28(44)26(42)23(39)19(48-32)11-45-31-27(43)25(41)21(37)12(3)46-31/h6-9,12,19,21,23,25-28,31-32,34-39,41-44H,4-5,10-11H2,1-3H3/t12-,19+,21-,23+,25+,26-,27+,28+,31+,32-/m0/s1

smiles:
CCN(CC)Cc1c(O)cc2oc(c3ccc(O)c(O)c3)c(O[C@@H]3O[C@H](CO[C@@H]4O[C@@H](C)[C@H](O)[C@@H](O)[C@H]4O)[C@@H](O)[C@H](O)[C@H]3O)c(=O)c2c1O


name: Sodium 4-(4-chloro-o-tolyloxy)butyrate
cas: 6062-26-6
formula: C11H13ClO3.Na
inchikey: GABUSZPTCJGKGB-UHFFFAOYSA-M
norman_susdat_id: NS00081226
smiles: [Na+].Cc1cc(Cl)ccc1OCCCC(=O)[O-]
inchi:
InChI=1/C11H13ClO3.Na/c1-8-7-9(12)4-5-10(8)15-6-2-3-11(13)14;/h4-5,7H,2-3,6H2,1H3,(H,13,14);/q;+1/p-1


name: 2,2-bis[[(2-hexyl-1-oxodecyl)oxy]methyl]-1,3-propanediyl bis(2-hexyldecanoate)
cas: 60623-04-3
formula: C69H132O8
inchikey: MQKQEJQNRSFRLA-UHFFFAOYSA-N
norman_susdat_id: NS00054257
pubchem_cid: 173751
inchi:
InChI=1/C69H132O8/c1-9-17-25-33-37-45-53-61(49-41-29-21-13-5)65(70)74-57-69(58-75-66(71)62(50-42-30-22-14-6)54-46-38-34-26-18-10-2,59-76-67(72)63(51-43-31-23-15-7)55-47-39-35-27-19-11-3)60-77-68(73)64(52-44-32-24-16-8)56-48-40-36-28-20-12-4/h61-64H,9-60H2,1-8H3

smiles:
O=C(OCC(COC(=O)C(CCCCCC)CCCCCCCC)(COC(=O)C(CCCCCC)CCCCCCCC)COC(=O)C(CCCCCC)CCCCCCCC)C(CCCCCC)CCCCCCCC


name: Diphenyl tridecyl phosphite
cas: 60628-17-3
chemspiderid: 98003
dtxsid: DTXSID0069414
formula: C25H37O3P1
inchikey: OGVJEUDMQQIAPV-UHFFFAOYSA-N
norman_susdat_id: NS00034408
pubchem_cid: 108980
smiles: CCCCCCCCCCCCCOP(Oc1ccccc1)Oc1ccccc1
inchi:
InChI=1S/C25H37O3P/c1-2-3-4-5-6-7-8-9-10-11-18-23-26-29(27-24-19-14-12-15-20-24)28-25-21-16-13-17-22-25/h12-17,19-22H,2-11,18,23H2,1H3


name: Bifonazole
cas: 60628-96-8
chebiid: CHEBI:78692
chemspiderid: 2287
dtxsid: DTXSID9045631
formula: C22H18N2
inchikey: OCAPBUJLXMYKEJ-UHFFFAOYSA-N
norman_susdat_id: NS00003619
pubchem_cid: 2378
smiles: c1cn(cn1)C(c1ccccc1)c1ccc(cc1)-c1ccccc1
inchi:
InChI=1S/C22H18N2/c1-3-7-18(8-4-1)19-11-13-21(14-12-19)22(24-16-15-23-17-24)20-9-5-2-6-10-20/h1-17,22H


name: Lombazole
cas: 60628-98-0
dtxsid: DTXSID00976059
formula: C22H17ClN2
inchikey: DALSNPRWUFOYDT-UHFFFAOYSA-N
norman_susdat_id: NS00055585
pubchem_cid: 71742
smiles: ClC=1C=CC=CC1C(C=2C=CC(=CC2)C=3C=CC=CC3)N4C=NC=C4
inchi:
InChI=1/C22H17ClN2/c23-21-9-5-4-8-20(21)22(25-15-14-24-16-25)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-16,22H


name: Diethyl(propan-2-olato)aluminium
cas: 6063-60-1
formula: C7H17AlO
inchikey: QYRVKEFNJZPMKU-UHFFFAOYSA-N
norman_susdat_id: NS00081243
smiles: CC[Al](CC)OC(C)C
inchi:
InChI=1/C3H7O.2C2H5.Al/c1-3(2)4;2*1-2;/h3H,1-2H3;2*1H2,2H3;/q-1;;;+1/rC7H17AlO/c1-5-8(6-2)9-7(3)4/h7H,5-6H2,1-4H3


name: N-(4,6-Bis(allyloxy)-1,3,5-triazin-2-yl)-N'-phenylbenzene-1,4-diamine
cas: 60640-92-8
chemspiderid: 98004
dtxsid: DTXSID60209451
formula: C21H21N5O2
inchikey: JWTDUUYINZWIBA-UHFFFAOYSA-N
norman_susdat_id: NS00034412
pubchem_cid: 108981
smiles: C=CCOc1nc(OCC=C)nc(Nc2ccc(Nc3ccccc3)cc2)n1
inchi:
InChI=1S/C21H21N5O2/c1-3-14-27-20-24-19(25-21(26-20)28-15-4-2)23-18-12-10-17(11-13-18)22-16-8-6-5-7-9-16/h3-13,22H,1-2,14-15H2,(H,23,24,25,26)


name: O-Benzyl-L-arginine bis(toluene-p-sulphonate)
cas: 60643-23-4
chemspiderid: 4956354
dtxsid: DTXSID80209453
formula: C13H20N4O2
inchikey: QIBXSXIUKNEWDS-IDMXKUIJSA-N
norman_susdat_id: NS00034417
pubchem_cid: 6454013
smiles: Cc1ccc(cc1)S(=O)(=O)O.Cc1ccc(cc1)S(=O)(=O)O.N[C@@H](CCCN=C(N)N)C(=O)OCc1ccccc1
inchi:
InChI=1S/C13H20N4O2/c14-11(7-4-8-17-13(15)16)12(18)19-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9,14H2,(H4,15,16,17)/t11-/m1/s1


name: 1-(2,4-dinitrophenyl)-L-prolyl-L-leucylglycyl-L-isoleucyl-L-alanylglycyl-L-argininamide
cas: 60643-92-7
dtxsid: DTXSID40976078
formula: C36H59N13O11
inchikey: KGSKQRPJFBFFBW-SCTYRBDQSA-N
norman_susdat_id: NS00055602
pubchem_cid: NA
inchi:
InChI=1/C36H57N13O11/c1-6-20(4)30(35(56)43-21(5)32(53)41-17-28(50)44-23(31(37)52)9-7-13-40-36(38)39)46-29(51)18-42-33(54)24(15-19(2)3)45-34(55)26-10-8-14-47(26)25-12-11-22(48(57)58)16-27(25)49(59)60/h11-12,16,19-21,23-24,26,30H,6-10,13-15,17-18H2,1-5H3,(H2,37,52)(H,41,53)(H,42,54)(H,43,56)(H,44,50)(H,45,55)(H,46,51)(H4,38,39,40)

smiles:
O=C(N)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C1N(C2=CC=C(C=C2[N+](=O)[O-])[N+](=O)[O-])CCC1)CC(C)C)C(C)CC)C)CCCNC(=N)N


name: 1H-Benz[f]indene-1,3(2H)-dione, 5,6,7,8-tetrabromo-2-(3-hydroxy-2-quinolinyl)-
cas: 60644-91-9
chemspiderid: 98009
dtxsid: DTXSID0069418
formula: C22H9Br4N1O3
inchikey: XQJAONCBMFGBCC-UHFFFAOYSA-N
norman_susdat_id: NS00034418
pubchem_cid: 108986
smiles: Oc1c(nc2ccccc2c1)C1C(=O)c2cc3c(cc2C1=O)c(Br)c(Br)c(Br)c3Br
inchi:
InChI=1S/C22H9Br4NO3/c23-16-9-6-11-12(7-10(9)17(24)19(26)18(16)25)22(30)15(21(11)29)20-14(28)5-8-3-1-2-4-13(8)27-20/h1-7,15,28H


name: 3,3'-(octadecylimino)bispropane-1,2-diol
cas: 60659-43-0
dtxsid: DTXSID90976088
formula: C24H51NO4
inchikey: QCOZKOLXTLBJRT-UHFFFAOYSA-N
norman_susdat_id: NS00054306
pubchem_cid: 108488
smiles: OCC(O)CN(CCCCCCCCCCCCCCCCCC)CC(O)CO
inchi:
InChI=1/C24H51NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(19-23(28)21-26)20-24(29)22-27/h23-24,26-29H,2-22H2,1H3


name: Tetradecyl (Z,Z)-6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannahexacosa-2,9-dienoate
cas: 60659-60-1
formula: C44H80O8Sn
inchikey: PRLCKJLONDXDMA-POUCYOBESA-L
norman_susdat_id: NS00054307
pubchem_cid: 16684124
smiles: O=C(OCCCCCCCCCCCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCCCCCCCC)(CCCC)CCCC
inchi:
InChI=1/2C18H32O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-18(21)15-14-17(19)20;2*1-3-4-2;/h2*14-15H,2-13,16H2,1H3,(H,19,20);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC44H80O8Sn/c1-5-9-13-15-17-19-21-23-25-27-29-31-37-49-41(45)33-35-43(47)51-53(39-11-7-3,40-12-8-4)52-44(48)36-34-42(46)50-38-32-30-28-26-24-22-20-18-16-14-10-6-2/h33-36H,5-32,37-40H2,1-4H3


name: Tridecyl (Z,Z)-6,6-dibutyl-4,8,11-trioxo-5,7,12-trioxa-6-stannapentacosa-2,9-dienoate
cas: 60659-61-2
formula: C42H76O8Sn
inchikey: JNKCYBSAZHJNIZ-LHJYRGMRSA-L
norman_susdat_id: NS00054308
pubchem_cid: 73307693
smiles: O=C(OCCCCCCCCCCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCCCCCCC)(CCCC)CCCC
inchi:
InChI=1/2C17H30O4.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-15-21-17(20)14-13-16(18)19;2*1-3-4-2;/h2*13-14H,2-12,15H2,1H3,(H,18,19);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC42H76O8Sn/c1-5-9-13-15-17-19-21-23-25-27-29-35-47-39(43)31-33-41(45)49-51(37-11-7-3,38-12-8-4)50-42(46)34-32-40(44)48-36-30-28-26-24-22-20-18-16-14-10-6-2/h31-34H,5-30,35-38H2,1-4H3


