# cl_id

cas: 50268-65-0
formula: C17H18N2O7S2
inchikey: QLTVFUALEDMAKL-TZHYSIJRSA-N
norman_susdat_id: NS00089139
smiles: COC1(NC(=O)Cc2cccs2)[C@H]3SCC(=C(N3C1=O)C(=O)O)COC(=O)C
name:
(6R)-3-(acetoxymethyl)-7-methoxy-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

inchi:
InChI=1/C17H18N2O7S2/c1-9(20)26-7-10-8-28-16-17(25-2,15(24)19(16)13(10)14(22)23)18-12(21)6-11-4-3-5-27-11/h3-5,16H,6-8H2,1-2H3,(H,18,21)(H,22,23)


name: Isofezolac
cas: 50270-33-2
chebiid: CHEBI:135494
chemspiderid: 61931
dtxsid: DTXSID40198273
formula: C23H18N2O2
inchikey: LZRDDINFIHUVCX-UHFFFAOYSA-N
norman_susdat_id: NS00032026
pubchem_cid: 68677
smiles: OC(=O)Cc1c(c(nn1c1ccccc1)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C23H18N2O2/c26-21(27)16-20-22(17-10-4-1-5-11-17)23(18-12-6-2-7-13-18)24-25(20)19-14-8-3-9-15-19/h1-15H,16H2,(H,26,27)


name: 1,3,4-Triphenyl-1H-pyrazole-5-acetonitrile
cas: 50270-55-8
chemspiderid: 2284443
dtxsid: DTXSID00198274
formula: C23H17N3
inchikey: JKISWSOCTWDLSE-UHFFFAOYSA-N
norman_susdat_id: NS00032027
pubchem_cid: 3016508
smiles: N#CCc1c(c(nn1c1ccccc1)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C23H17N3/c24-17-16-21-22(18-10-4-1-5-11-18)23(19-12-6-2-7-13-19)25-26(21)20-14-8-3-9-15-20/h1-15H,16H2


name: 1(3H)-Isobenzofuranone, 3,3-bis(1-butyl-2-methyl-1H-indol-3-yl)-
cas: 50292-91-6
chemspiderid: 142740
dtxsid: DTXSID9068538
formula: C34H36N2O2
inchikey: JZEPXWWZAJGALH-UHFFFAOYSA-N
norman_susdat_id: NS00032035
pubchem_cid: 162583
smiles: CCCCn1c(C)c(c2c1cccc2)C1(OC(=O)c2c1cccc2)c1c(C)n(CCCC)c2c1cccc2
inchi:
InChI=1S/C34H36N2O2/c1-5-7-21-35-23(3)31(26-16-10-13-19-29(26)35)34(28-18-12-9-15-25(28)33(37)38-34)32-24(4)36(22-8-6-2)30-20-14-11-17-27(30)32/h9-20H,5-8,21-22H2,1-4H3


name: 3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)phthalide
cas: 50292-95-0
dtxsid: DTXSID4068539
formula: C42H52N2O2
inchikey: XOEUNIAGBKGZLU-UHFFFAOYSA-N
norman_susdat_id: NS00057943
pubchem_cid: 162584
smiles: O=C1OC(C=2C=CC=CC12)(C=3C=4C=CC=CC4N(C3C)CCCCCCCC)C=5C=6C=CC=CC6N(C5C)CCCCCCCC
inchi:
InChI=1/C42H52N2O2/c1-5-7-9-11-13-21-29-43-31(3)39(34-24-16-19-27-37(34)43)42(36-26-18-15-23-33(36)41(45)46-42)40-32(4)44(30-22-14-12-10-8-6-2)38-28-20-17-25-35(38)40/h15-20,23-28H,5-14,21-22,29-30H2,1-4H3


name: 1(3H)-Isobenzofuranone, 4,5,6,7-tetrachloro-3,3-bis(2-methyl-1-octyl-1H-indol-3-yl)-
cas: 50293-19-1
chemspiderid: 149349
dtxsid: DTXSID3068540
formula: C42H48Cl4N2O2
inchikey: PSGMBHLSJFAHLW-UHFFFAOYSA-N
norman_susdat_id: NS00032036
pubchem_cid: 170824
smiles: CCCCCCCCn1c(C)c(c2c1cccc2)C1(OC(=O)c2c1c(Cl)c(Cl)c(Cl)c2Cl)c1c(C)n(CCCCCCCC)c2c1cccc2
inchi:
InChI=1S/C42H48Cl4N2O2/c1-5-7-9-11-13-19-25-47-27(3)34(29-21-15-17-23-31(29)47)42(36-33(41(49)50-42)37(43)39(45)40(46)38(36)44)35-28(4)48(26-20-14-12-10-8-6-2)32-24-18-16-22-30(32)35/h15-18,21-24H,5-14,19-20,25-26H2,1-4H3


name: Vilanterol
cas: 503068-34-6
chemspiderid: 8360167
dtxsid: DTXSID80198318
formula: C24H33Cl2N1O5
inchikey: DAFYYTQWSAWIGS-UHFFFAOYSA-N
norman_susdat_id: NS00040694
pubchem_cid: 10184665
smiles: OCc1cc(ccc1O)C(O)CNCCCCCCOCCOCc1c(Cl)cccc1Cl
inchi:
InChI=1S/C24H33Cl2NO5/c25-21-6-5-7-22(26)20(21)17-32-13-12-31-11-4-2-1-3-10-27-15-24(30)18-8-9-23(29)19(14-18)16-28/h5-9,14,24,27-30H,1-4,10-13,15-17H2


name: Sodium 1-amino-9,10-dihydro-4-[(4-hydroxyphenyl)amino]-9,10-dioxoanthracene-2-sulphonate
cas: 50314-37-9
formula: C20H14N2O6S.Na
inchikey: VLZVLXBAUVQEKH-UHFFFAOYSA-M
norman_susdat_id: NS00088924
smiles: [Na+].Nc1c2C(=O)c3ccccc3C(=O)c2c(Nc4ccc(O)cc4)cc1S(=O)(=O)[O-]
inchi:
InChI=1/C20H14N2O6S.Na/c21-18-15(29(26,27)28)9-14(22-10-5-7-11(23)8-6-10)16-17(18)20(25)13-4-2-1-3-12(13)19(16)24;/h1-9,22-23H,21H2,(H,26,27,28);/q;+1/p-1


name: Morazone hydrochloride
cas: 50321-35-2
formula: C23H27N3O2.ClH
inchikey: QPNQBCBHTTYDEN-UHFFFAOYSA-N
norman_susdat_id: NS00088925
smiles: Cl.CC1C(OCCN1CC2=C(C)N(C)N(C2=O)c3ccccc3)c4ccccc4
inchi:
InChI=1/C23H27N3O2.ClH/c1-17-21(23(27)26(24(17)3)20-12-8-5-9-13-20)16-25-14-15-28-22(18(25)2)19-10-6-4-7-11-19;/h4-13,18,22H,14-16H2,1-3H3;1H


name: Tetra(methoxymethyl)melamine (TMMM)
cas: 50322-79-7
dtxsid: DTXSID30598925
formula: C11H22N6O4
inchikey: GDXYMSLKTXSGBS-UHFFFAOYSA-N
norman_susdat_id: NS00067069
smiles: COCN(COC)C1=NC(=NC(N)=N1)N(COC)COC
inchi:
InChI=1S/C11H22N6O4/c1-18-5-16(6-19-2)10-13-9(12)14-11(15-10)17(7-20-3)8-21-4/h5-8H2,1-4H3,(H2,12,13,14,15)


cas: 50326-33-5
dtxsid: DTXSID80890865
formula: C25H20ClN3O6S
inchikey: XWGSKVKPXMKRQI-UHFFFAOYSA-L
norman_susdat_id: NS00058476
pubchem_cid: 170829
name:
Barium bis[6-chloro-4-[[2-hydroxy-3-[(2-methoxyphenyl)carbamoyl]-1-naphthyl]azo]toluene-3-sulphonate]

inchi:
InChI=1/2C25H20ClN3O6S.Ba/c2*1-14-11-22(36(32,33)34)20(13-18(14)26)28-29-23-16-8-4-3-7-15(16)12-17(24(23)30)25(31)27-19-9-5-6-10-21(19)35-2;/h2*3-13,30H,1-2H3,(H,27,31)(H,32,33,34);/q;;+2/p-2

smiles:
[Ba+2].O=C(NC=1C=CC=CC1OC)C2=CC=3C=CC=CC3C(N=NC4=CC(Cl)=C(C=C4S(=O)(=O)[O-])C)=C2O.O=C(NC=1C=CC=CC1OC)C2=CC=3C=CC=CC3C(N=NC4=CC(Cl)=C(C=C4S(=O)(=O)[O-])C)=C2O


name: 1,1'-[sulphonylbis(p-phenyleneoxy)]dipropan-2-ol
cas: 50326-38-0
dtxsid: DTXSID70964605
formula: C18H22O6S
inchikey: ZTUNUWXWAKQYMN-UHFFFAOYSA-N
norman_susdat_id: NS00057097
pubchem_cid: 6452193
smiles: O=S(=O)(C1=CC=C(OCC(O)C)C=C1)C2=CC=C(OCC(O)C)C=C2
inchi:
InChI=1/C18H22O6S/c1-13(19)11-23-15-3-7-17(8-4-15)25(21,22)18-9-5-16(6-10-18)24-12-14(2)20/h3-10,13-14,19-20H,11-12H2,1-2H3


cas: 503284-73-9
dtxsid: DTXSID40882903
norman_susdat_id: NS00110313
name:
2-Propenoic acid, esters, 2-methyl-, oxiranylmethyl ester, polymers with .gamma.-.omega.-perfluoro-C6-16-alkyl acrylate and stearyl acrylate


cas: 503287-56-7
dtxsid: DTXSID30882694
norman_susdat_id: NS00109953
name:
2-Propenoic acid, esters, .gamma.-.omega.-perfluoro-C6-16-alkyl esters, polymers with acrylonitrile, N-(butoxymethyl)-2-propenamide, polyethylene glycol dimethacrylate and polyethylene glycol methacrylate Me ether


name: Pentasodium hydrogen 1,2,3,4,5,6-cyclohexanehexacarboxylate
cas: 50329-18-5
formula: C12H12O12.5Na
inchikey: FZVGHDJZKFKMAP-UHFFFAOYSA-H
norman_susdat_id: NS00088692
inchi:
InChI=1/C12H12O12.5Na/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18;;;;;/h1-6H,(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24);;;;;/q;5*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[O-]C(=O)C1C(C(C(C(C1C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-])C(=O)[O-]


name: Dasolampanel Etibutil
cas: 503291-53-0
formula: C23H32ClN5O3
inchikey: HPBRMCFZIGUGTK-ZMMAXQRCSA-N
norman_susdat_id: NS00072264
pubchem_cid: 53307207
smiles: CCC(CC)COC(=O)[C@@H]1C[C@H]2C[C@@H](Oc3cccc(Cl)c3-c3nnn[nH]3)CC[C@H]2CN1
inchi:
InChI=1S/C23H32ClN5O3/c1-3-14(4-2)13-31-23(30)19-11-16-10-17(9-8-15(16)12-25-19)32-20-7-5-6-18(24)21(20)22-26-28-29-27-22/h5-7,14-17,19,25H,3-4,8-13H2,1-2H3,(H,26,27,28,29)/t15-,16+,17-,19-/m0/s1


cas: 503296-97-7
dtxsid: DTXSID90882953
norman_susdat_id: NS00112029
name:
2-Butenedioic acid, 2-methyl-, (2Z)-, polymers with .gamma.-.omega.-perfluoro-C8-16-alkyl acrylate, stearyl acrylate and styrene


name: Chaetoglobosin A
cas: 50335-03-0
chebiid: CHEBI:68798
chemspiderid: 4942914
dtxsid: DTXSID20891790
formula: C32H36N2O5
inchikey: OUMWCYMRLMEZJH-VOXRAUTJSA-N
norman_susdat_id: NS00094878
pubchem_cid: 6438437
inchi:
InChI=1S/C32H36N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-14,16-17,19,22,24,27-29,33,37H,8,15H2,1-4H3,(H,34,38)/b10-7+,13-12+,18-14+/t17-,19-,22-,24-,27-,28+,29-,31+,32+/m0/s1

smiles:
C[C@H]1C/C=C/[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@@]2(C(=O)/C=C/C(=O)[C@@H](/C(=C1)/C)O)C(=O)N[C@H]4CC5=CNC6=CC=CC=C65)C)C


name: [(2-ethylhexanoyl)oxy]diphenylstibine
cas: 5035-58-5
formula: C20H25O2Sb
inchikey: VDTQBQDVHSDDLY-UHFFFAOYSA-M
norman_susdat_id: NS00081419
smiles: CCCCC(CC)C(=O)O[Sb](c1ccccc1)c2ccccc2
inchi:
InChI=1/C8H16O2.2C6H5.Sb/c1-3-5-6-7(4-2)8(9)10;2*1-2-4-6-5-3-1;/h7H,3-6H2,1-2H3,(H,9,10);2*1-5H;/q;;;+1/p-1/rC20H25O2Sb/c1-3-5-12-17(4-2)20(21)22-23(18-13-8-6-9-14-18)19-15-10-7-11-16-19/h6-11,13-17H,3-5,12H2,1-2H3


name: Tributyl[(2-ethylhexanoyl)oxy]stannane
cas: 5035-67-6
formula: C20H42O2Sn
inchikey: NJBLMKDJCMZEJZ-UHFFFAOYSA-M
norman_susdat_id: NS00045315
pubchem_cid: NA
smiles: O=C(O[Sn](CCCC)(CCCC)CCCC)C(CC)CCCC
inchi:
InChI=1/C8H16O2.3C4H9.Sn/c1-3-5-6-7(4-2)8(9)10;3*1-3-4-2;/h7H,3-6H2,1-2H3,(H,9,10);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC20H42O2Sn/c1-6-11-15-19(10-5)20(21)22-23(16-12-7-2,17-13-8-3)18-14-9-4/h19H,6-18H2,1-5H3


name: Tributyl(myristoyloxy)stannane
cas: 5035-68-7
dtxsid: DTXSID90198405
formula: C26H54O2Sn
inchikey: BCOKZHHTWLADPY-UHFFFAOYSA-M
norman_susdat_id: NS00045268
pubchem_cid: 16683956
smiles: O=C(O[Sn](CCCC)(CCCC)CCCC)CCCCCCCCCCCCC
inchi:
InChI=1/C14H28O2.3C4H9.Sn/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;3*1-3-4-2;/h2-13H2,1H3,(H,15,16);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC26H54O2Sn/c1-5-9-13-14-15-16-17-18-19-20-21-22-26(27)28-29(23-10-6-2,24-11-7-3)25-12-8-4/h5-25H2,1-4H3


name: Bis((perfluorobutyl)ethyl) 2-[(carboxymethyl)thio]butanedioate lithium salt
cas: 503534-33-6
dtxsid: DTXSID90893549
formula: C18H13F18LiO6S
inchikey: ZJVXUOBDUMHYSB-UHFFFAOYSA-M
norman_susdat_id: NS00112058
inchi:
InChI=1/C18H14F18O6S.Li/c19-11(20,13(23,24)15(27,28)17(31,32)33)1-3-41-9(39)5-7(43-6-8(37)38)10(40)42-4-2-12(21,22)14(25,26)16(29,30)18(34,35)36;/h7H,1-6H2,(H,37,38);/q;+1/p-1

smiles:
[Li+].[H]C([H])(OC(=O)CC(SCC([O-])=O)C(=O)OC([H])([H])C([H])([H])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C([H])([H])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Apixaban
cas: 503612-47-3
chebiid: CHEBI:72296
chemspiderid: 8358471
dtxsid: DTXSID80436500
formula: C25H25N5O4
inchikey: QNZCBYKSOIHPEH-UHFFFAOYSA-N
norman_susdat_id: NS00014946
pubchem_cid: 10182969
smiles: COC1=CC=C(C=C1)N2C3=C(CCN(C3=O)C4=CC=C(C=C4)N5CCCCC5=O)C(=N2)C(=O)N
inchi:
InChI=1S/C25H25N5O4/c1-34-19-11-9-18(10-12-19)30-23-20(22(27-30)24(26)32)13-15-29(25(23)33)17-7-5-16(6-8-17)28-14-3-2-4-21(28)31/h5-12H,2-4,13-15H2,1H3,(H2,26,32)


cas: 503614-91-3
chemspiderid: 11256218
dtxsid: DTXSID50623728
formula: C27H28N4O5
inchikey: PULNLYVCJSOXKS-UHFFFAOYSA-N
norman_susdat_id: NS00001244
pubchem_cid: 22240488
smiles: CCOC(=O)c1nn(c2c1CCN(C2=O)c1ccc(cc1)N1CCCCC1=O)-c1ccc(OC)cc1
name:
Ethyl 1-(4-methoxyphenyl)-7-oxo-6-[4-(2-oxopiperidin-1-yl)phenyl]-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-3-carboxylate

inchi:
InChI=1S/C27H28N4O5/c1-3-36-27(34)24-22-15-17-30(19-9-7-18(8-10-19)29-16-5-4-6-23(29)32)26(33)25(22)31(28-24)20-11-13-21(35-2)14-12-20/h7-14H,3-6,15-17H2,1-2H3


cas: 503621-60-1
dtxsid: DTXSID90882695
norman_susdat_id: NS00112004
name:
2-Propenoic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl ester, polymer with .alpha.-(2-methyl-1-oxo-2-propenyl)-.omega.-methoxypoly(oxy-1,2-ethandiyl), tert- Bu 2-ethylhexaneperoxoate-initiated


cas: 503621-79-2
dtxsid: DTXSID20882683
norman_susdat_id: NS00109607
name:
2-Propenoic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl ester, polymer with .alpha.-(2-methyl-1-oxo-2-propenyl)-.omega.-methoxypoly(oxy-1,2-ethandiyl), di-Me 2,2'-azobis[2-methylpropanoate]-initiated


cas: 503621-80-5
dtxsid: DTXSID50882696
norman_susdat_id: NS00110635
name:
2-Propenoic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl ester, polymer with .alpha.-(2-methyl-1-oxo-2-propenyl)-.omega.-hydroxypoly(oxy-1,2-ethandiyl), tert- Bu 2-ethylhexaneperoxoate-initiated


cas: 503621-81-6
dtxsid: DTXSID10882677
norman_susdat_id: NS00109256
name:
2-Propenoic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl ester, polymer with .alpha.-(2-methyl-1-oxo-2-propenyl)-.omega.-hydroxypoly[oxy(methyl-1,2-ethandiyl)], tert- Bu 2-ethylhexaneperoxoate-initiated


name: Cefadroxil
cas: 50370-12-2
chemspiderid: 2511
dtxsid: DTXSID8022749
formula: C16H17N3O5S1
inchikey: BOEGTKLJZSQCCD-UHFFFAOYSA-N
norman_susdat_id: NS00000690
pubchem_cid: 74686536
smiles: CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O
inchi:
InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)


name: 2-[[3-(2-carboxyethyl)-3H-benzothiazol-2-ylidene]methyl]-1-ethylquinolinium iodide
cas: 50378-82-0
dtxsid: DTXSID70964645
formula: C22H21N2O2S
inchikey: MLKLIWREVBOCRN-UHFFFAOYSA-N
norman_susdat_id: NS00058531
pubchem_cid: NA
smiles: [I-].O=C(O)CCN1C(SC=2C=CC=CC21)=CC=3C=CC=4C=CC=CC4[N+]3CC
inchi:
InChI=1/C22H20N2O2S.HI/c1-2-23-17(12-11-16-7-3-4-8-18(16)23)15-21-24(14-13-22(25)26)19-9-5-6-10-20(19)27-21;/h3-12,15H,2,13-14H2,1H3;1H


name: 1-ethyl-2-[(3-ethyl-5-methoxy-3H-benzoselenazol-2-ylidene)methyl]-6-methoxyquinolinium iodide
cas: 50378-83-1
formula: C23H25N2O2Se.I
inchikey: RHVIZBUXTLEOPG-UHFFFAOYSA-M
norman_susdat_id: NS00088914
smiles: [I-].CC[n+]3c4ccc(OC)cc4ccc3C=C2[Se]c1ccc(cc1N2CC)OC
inchi:
InChI=1/C23H25N2O2Se.HI/c1-5-24-17(8-7-16-13-18(26-3)9-11-20(16)24)14-23-25(6-2)21-15-19(27-4)10-12-22(21)28-23;/h7-15H,5-6H2,1-4H3;1H/q+1;/p-1


name: Phenol, 2,2'-methylenebis[4,6-bis(1,1-dimethylpropyl)-
cas: 50378-93-3
chemspiderid: 149360
dtxsid: DTXSID3068546
formula: C33H52O2
inchikey: DYVLACUMXYHTTN-UHFFFAOYSA-N
norman_susdat_id: NS00032049
pubchem_cid: 170838
smiles: CCC(C)(C)c1cc(Cc2c(O)c(cc(c2)C(C)(C)CC)C(C)(C)CC)c(O)c(c1)C(C)(C)CC
inchi:
InChI=1S/C33H52O2/c1-13-30(5,6)24-18-22(28(34)26(20-24)32(9,10)15-3)17-23-19-25(31(7,8)14-2)21-27(29(23)35)33(11,12)16-4/h18-21,34-35H,13-17H2,1-12H3


name: 18-Pentatriacontanone
cas: 504-53-0
chemspiderid: 10009
dtxsid: DTXSID2060125
formula: C35H70O1
inchikey: DMCJFWXGXUEHFD-UHFFFAOYSA-N
norman_susdat_id: NS00014117
pubchem_cid: 10440
smiles: CCCCCCCCCCCCCCCCCC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C35H70O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35(36)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-34H2,1-2H3


name: 5-(2-aminoethylamino)naphthalene-1-sulphonic acid
cas: 50402-56-7
dtxsid: DTXSID70964660
formula: C12H14N2O3S
inchikey: SJQRQOKXQKVJGJ-UHFFFAOYSA-N
norman_susdat_id: NS00058532
pubchem_cid: NA
smiles: O=S(=O)(O)C=1C=CC=C2C(=CC=CC21)NCCN
inchi:
InChI=1/C12H14N2O3S/c13-7-8-14-11-5-1-4-10-9(11)3-2-6-12(10)18(15,16)17/h1-6,14H,7-8,13H2,(H,15,16,17)


name: 8-(2-Aminoethylamino)naphthalene-1-sulphonic acid
cas: 50402-57-8
chemspiderid: 2006211
dtxsid: DTXSID40198455
formula: C12H14N2O3S1
inchikey: XCNDHKWVELDQPO-UHFFFAOYSA-N
norman_susdat_id: NS00032055
pubchem_cid: 7005053
smiles: NCCNc1cccc2c1c(ccc2)S(=O)(=O)O
inchi:
InChI=1S/C12H14N2O3S/c13-7-8-14-10-5-1-3-9-4-2-6-11(12(9)10)18(15,16)17/h1-6,14H,7-8,13H2,(H,15,16,17)


name: Uridine 2',3'-dibenzoate
cas: 50408-20-3
dtxsid: DTXSID90964662
formula: C23H20N2O8
inchikey: FZFFWKZFQMIXKC-VBSBHUPXSA-N
norman_susdat_id: NS00057608
pubchem_cid: 6452205
smiles: O=C(OC1C(OC(CO)C1OC(=O)C=2C=CC=CC2)N3C=CC(=O)NC3=O)C=4C=CC=CC4
inchi:
InChI=1/C23H20N2O8/c26-13-16-18(32-21(28)14-7-3-1-4-8-14)19(33-22(29)15-9-5-2-6-10-15)20(31-16)25-12-11-17(27)24-23(25)30/h1-12,16,18-20,26H,13H2,(H,24,27,30)


name: 2-hydroxy-6-nitro-4-sulphonaphthalene-1-diazonium
cas: 50412-00-5
formula: C10H6N3O6S
inchikey: CCFWJWRQXDDAEJ-UHFFFAOYSA-O
norman_susdat_id: NS00088915
smiles: Oc1cc(c2cc(ccc2c1[N+]#N)[N+](=O)[O-])S(=O)(=O)O
inchi:
InChI=1/C10H5N3O6S/c11-12-10-6-2-1-5(13(15)16)3-7(6)9(4-8(10)14)20(17,18)19/h1-4H,(H-,14,17,18,19)/p+1


cas: 504395-90-8
dtxsid: DTXSID50882898
norman_susdat_id: NS00110654
name:
2-Propenoic acid, 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl ester, polymer with octahydro-4,7-methano-1H-indenyl 2-propenoate


cas: 504396-13-8
dtxsid: DTXSID70882875
norman_susdat_id: NS00111337
name:
2-Propenoic acid, esters, 2-methyl-, 2-[ethyl[(perfluoro-C4-8-alkyl)sulfonyl]amino]ethyl ester, polymers with polyethylene glycol acrylate Me ether


name: Triphenylvinylphosphonium bromide
cas: 5044-52-0
dtxsid: DTXSID10964684
formula: C20H18P
inchikey: VRAYVWUMBAJVGH-UHFFFAOYSA-M
norman_susdat_id: NS00045317
pubchem_cid: 2723893
smiles: [Br-].C=C[P+](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3
inchi:
InChI=1/C20H18P.BrH/c1-2-21(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20;/h2-17H,1H2;1H/q+1;/p-1


name: Morphine-6-beta-D-glucuronide
cas: 50444-03-6
chemspiderid: 2341914
dtxsid: DTXSID30964686
formula: C23H27NO9
inchikey: YWEYZPZIMCQHFM-XDMGLTAESA-N
norman_susdat_id: NS00100961
pubchem_cid: 3084921
smiles: COc1ccc2c3c1O[C@@H]4C35CCNC(C2)C5C=C[C@@H]4O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O
inchi:
InChI=1S/C23H27NO9/c1-30-12-4-2-9-8-11-10-3-5-13(20-23(10,6-7-24-11)14(9)18(12)32-20)31-22-17(27)15(25)16(26)19(33-22)21(28)29/h2-5,10-11,13,15-17,19-20,22,24-27H,6-8H2,1H3,(H,28,29)/t10?,11?,13-,15-,16-,17+,19-,20-,22+,23?/m0/s1


name: Disodium 4-(benzoylamino)-5-hydroxynaphthalene-2,7-disulphonate
cas: 5045-22-7
formula: C17H13NO8S2.2Na
inchikey: XQZPJQWJZOPGJH-UHFFFAOYSA-L
norman_susdat_id: NS00081420
smiles: [Na+].[Na+].Oc1cc(cc2cc(cc(NC(=O)c3ccccc3)c12)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C17H13NO8S2.2Na/c19-15-9-13(28(24,25)26)7-11-6-12(27(21,22)23)8-14(16(11)15)18-17(20)10-4-2-1-3-5-10;;/h1-9,19H,(H,18,20)(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2


name: Trisodium 5-amino-4-hydroxy-3-[(1-sulphonato-2-naphthyl)azo]naphthalene-2,7-disulphonate
cas: 5045-23-8
dtxsid: DTXSID7063689
formula: C20H15N3O10S3
inchikey: SHCOTFSAUPIDEC-UHFFFAOYSA-K
norman_susdat_id: NS00044564
pubchem_cid: 78744
inchi:
InChI=1/C20H15N3O10S3.3Na/c21-14-9-12(34(25,26)27)7-11-8-16(35(28,29)30)18(19(24)17(11)14)23-22-15-6-5-10-3-1-2-4-13(10)20(15)36(31,32)33;;;/h1-9,24H,21H2,(H,25,26,27)(H,28,29,30)(H,31,32,33);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=C(N)C=2C(C1)=CC(=C(N=NC=3C=CC=4C=CC=CC4C3S(=O)(=O)[O-])C2O)S(=O)(=O)[O-]


name: C.I. Pigment Yellow 109
cas: 5045-40-9
chemspiderid: 56326
dtxsid: DTXSID9052137
formula: C23H8Cl8N4O2
inchikey: WZSFTHVIIGGDOI-UHFFFAOYSA-N
norman_susdat_id: NS00019567
pubchem_cid: 62561
smiles: Cc1c(NC2=NC(=O)c3c2c(Cl)c(Cl)c(Cl)c3Cl)cccc1NC1=NC(=O)c2c1c(Cl)c(Cl)c(Cl)c2Cl
inchi:
InChI=1S/C23H8Cl8N4O2/c1-5-6(32-20-8-10(22(36)34-20)14(26)18(30)16(28)12(8)24)3-2-4-7(5)33-21-9-11(23(37)35-21)15(27)19(31)17(29)13(9)25/h2-4H,1H3,(H,32,34,36)(H,33,35,37)


name: (2-hydroxyethyl)trimethylammonium 5-oxoprolinate
cas: 5046-71-9
formula: C5H14NO.C5H6NO3
inchikey: BYGUCEMASSQNBH-UHFFFAOYSA-M
norman_susdat_id: NS00081001
smiles: C[N+](C)(C)CCO.[O-]C(=O)C1CCC(=O)N1
inchi:
InChI=1/C5H7NO3.C5H14NO/c7-4-2-1-3(6-4)5(8)9;1-6(2,3)4-5-7/h3H,1-2H2,(H,6,7)(H,8,9);7H,4-5H2,1-3H3/q;+1/p-1


cas: 50465-02-6
formula: C15H19NO3
inchikey: DZFUMKYXWIWTMJ-UHFFFAOYSA-N
norman_susdat_id: NS00057610
pubchem_cid: 325304
smiles: O=C1OC2C3=C(C(=NO)C=CC3(C)CCC2C1C)C
name:
[3S-(3a,3aa,5aß,8E,9bß)]-3a,5,5a,9b-tetrahydro-3,5a,9-trimethylnaphtho[1,2-b]furan-2,8(3H,4H)-dione 8-oxime

inchi:
InChI=1/C15H19NO3/c1-8-10-4-6-15(3)7-5-11(16-18)9(2)12(15)13(10)19-14(8)17/h5,7-8,10,13,18H,4,6H2,1-3H3


name: 4-((4-Amino-3,5-diisopropylphenyl)methyl)-2,6-diethylaniline
cas: 50467-20-4
chemspiderid: 10669362
dtxsid: DTXSID80198494
formula: C23H34N2
inchikey: XOMUHHURHSJLDC-UHFFFAOYSA-N
norman_susdat_id: NS00032066
pubchem_cid: 3016526
smiles: CCc1cc(Cc2cc(C(C)C)c(N)c(c2)C(C)C)cc(CC)c1N
inchi:
InChI=1S/C23H34N2/c1-7-18-10-16(11-19(8-2)22(18)24)9-17-12-20(14(3)4)23(25)21(13-17)15(5)6/h10-15H,7-9,24-25H2,1-6H3


name: Diethyl 2-acetamido-2-((5-(phenylmethoxy)indol-3-yl)methyl)malonate
cas: 50469-23-3
dtxsid: DTXSID40198495
formula: C25H28N2O6
inchikey: AIHVUEYJDRTUHZ-UHFFFAOYSA-N
norman_susdat_id: NS00057611
pubchem_cid: 95105
smiles: O=C(OCC)C(NC(=O)C)(C(=O)OCC)CC1=CNC=2C=CC(OCC=3C=CC=CC3)=CC21
inchi:
InChI=1/C25H28N2O6/c1-4-31-23(29)25(27-17(3)28,24(30)32-5-2)14-19-15-26-22-12-11-20(13-21(19)22)33-16-18-9-7-6-8-10-18/h6-13,15,26H,4-5,14,16H2,1-3H3,(H,27,28)


name: 9,10-Didehydro-N,6-dimethylergoline-8beta-carboxamide
cas: 50485-06-8
chemspiderid: 21161369
dtxsid: DTXSID50198507
formula: C17H19N3O1
inchikey: NINBUXQQTOVMAB-IAQYHMDHSA-N
norman_susdat_id: NS00032067
pubchem_cid: 56841679
smiles: CNC(=O)C1CN(C)C2Cc3c[nH]c4cccc(c34)C2=C1
inchi:
InChI=1S/C17H19N3O/c1-18-17(21)11-6-13-12-4-3-5-14-16(12)10(8-19-14)7-15(13)20(2)9-11/h3-6,8,11,15,19H,7,9H2,1-2H3,(H,18,21)/t11-,15+/m0/s1


name: 3-ethyl-2,4-dimethylthiazolium toluene-p-sulphonate
cas: 50498-74-3
formula: C7H12NS.C7H7O3S
inchikey: RFPVJYBAAODNDM-UHFFFAOYSA-M
norman_susdat_id: NS00088916
smiles: CC[n+]1c(C)csc1C.Cc2ccc(cc2)S(=O)(=O)[O-]
inchi:
InChI=1/C7H12NS.C7H8O3S/c1-4-8-6(2)5-9-7(8)3;1-6-2-4-7(5-3-6)11(8,9)10/h5H,4H2,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: Cicutoxin
cas: 505-75-9
chebiid: CHEBI:3695
dtxsid: DTXSID30896918
formula: C17H22O2
inchikey: FQVNSJQTSOVRKZ-JNRDBWBESA-N
norman_susdat_id: NS00075421
smiles: CCC[C@@H](O)C=CC=CC=CC#CC#CCCCO
inchi:
InChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10,12,15,17-19H,2,11,13-14,16H2,1H3/b6-4+,10-8+,15-12+/t17-/m1/s1


name: 4-(Heptafluoropropyl)-7,8-dimethyl-1,3-dihydro-2H-1,5-benzodiazepin-2-one
cas: 505063-74-1
dtxsid: DTXSID40896222
formula: C14H11F7N2O
inchikey: STKRDLVYJCQWDA-UHFFFAOYSA-N
norman_susdat_id: NS00110431
smiles: Cc1cc2NC(=O)CC(=Nc2cc1C)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14H11F7N2O/c1-6-3-8-9(4-7(6)2)23-11(24)5-10(22-8)12(15,16)13(17,18)14(19,20)21/h3-4H,5H2,1-2H3,(H,23,24)


name: Dexpropranolol
cas: 5051-22-9
chebiid: CHEBI:8736
formula: C16H21NO2
inchikey: AQHHHDLHHXJYJD-CQSZACIVSA-N
norman_susdat_id: NS00081002
smiles: CC(C)NC[C@@H](O)COc1cccc2ccccc12
inchi:
InChI=1/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3


name: 2,3-dihydro-3-(oxiranylmethoxy)-2-phenyl-1H-isoindol-1-one
cas: 50516-42-2
dtxsid: DTXSID30964747
formula: C17H15NO3
inchikey: WQQWREQEWITCBP-UHFFFAOYSA-N
norman_susdat_id: NS00058556
pubchem_cid: 6452216
smiles: O=C1C=2C=CC=CC2C(OCC3OC3)N1C=4C=CC=CC4
inchi:
InChI=1/C17H15NO3/c19-16-14-8-4-5-9-15(14)17(21-11-13-10-20-13)18(16)12-6-2-1-3-7-12/h1-9,13,17H,10-11H2


name: Nofecainide
cas: 50516-43-3
formula: C20H24N2O3
inchikey: KUHVZVZAYMLXGA-UHFFFAOYSA-N
norman_susdat_id: NS00057612
pubchem_cid: 50972
smiles: O=C1C=2C=CC=CC2C(OCC(O)CNC(C)C)N1C=3C=CC=CC3
inchi:
InChI=1/C20H24N2O3/c1-14(2)21-12-16(23)13-25-20-18-11-7-6-10-17(18)19(24)22(20)15-8-4-3-5-9-15/h3-11,14,16,20-21,23H,12-13H2,1-2H3


name: Fenspiride
cas: 5053-06-5
chebiid: CHEBI:94558
chemspiderid: 3227
dtxsid: DTXSID4023048
formula: C15H20N2O2
inchikey: FVNFBBAOMBJTST-UHFFFAOYSA-N
norman_susdat_id: NS00006547
pubchem_cid: 3344
smiles: OC1=NCC2(CCN(CCc3ccccc3)CC2)O1
inchi:
InChI=1S/C15H20N2O2/c18-14-16-12-15(19-14)7-10-17(11-8-15)9-6-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,16,18)


name: N-(1-Anilinonaphthalyl)-4-maleimide
cas: 50539-45-2
chemspiderid: 108811
dtxsid: DTXSID30198545
formula: C20H14N2O2
inchikey: DUFUXAHBRPMOFG-UHFFFAOYSA-N
norman_susdat_id: NS00032073
pubchem_cid: 121973
smiles: O=C1C=CC(=O)N1c1c2ccccc2c(Nc2ccccc2)cc1
inchi:
InChI=1S/C20H14N2O2/c23-19-12-13-20(24)22(19)18-11-10-17(15-8-4-5-9-16(15)18)21-14-6-2-1-3-7-14/h1-13,21H


name: 8-hydroxy-7-(1-naphthylazo)quinoline-5-sulphonic acid
cas: 50539-65-6
dtxsid: DTXSID2068553
formula: C19H13N3O4S
inchikey: GTBQEEPPEWJTGD-UHFFFAOYSA-N
norman_susdat_id: NS00057658
pubchem_cid: 98565
smiles: O=S(=O)(O)C=1C=C(N=NC2=CC=CC=3C=CC=CC23)C(O)=C4N=CC=CC41
inchi:
InChI=1/C19H13N3O4S/c23-19-16(11-17(27(24,25)26)14-8-4-10-20-18(14)19)22-21-15-9-3-6-12-5-1-2-7-13(12)15/h1-11,23H,(H,24,25,26)


name: 7-[(3,7-Dimethylocta-2,6-dienyl)oxy]-4-methyl-2-benzopyrone
cas: 50542-90-0
chemspiderid: 1403749
dtxsid: DTXSID8052140
formula: C20H24O3
inchikey: PFCHESZMLIVMTC-XNTDXEJSSA-N
norman_susdat_id: NS00012897
pubchem_cid: 1788982
smiles: CC(C)=CCC/C(C)=C/COc1ccc2C(=CC(=O)Oc2c1)C
inchi:
InChI=1S/C20H24O3/c1-14(2)6-5-7-15(3)10-11-22-17-8-9-18-16(4)12-20(21)23-19(18)13-17/h6,8-10,12-13H,5,7,11H2,1-4H3/b15-10+


name: Benzenediazonium, 2,5-dibutoxy-4-(4-morpholinyl)-, tetrafluoroborate(1-)
cas: 50543-78-7
chemspiderid: 149375
dtxsid: DTXSID7068554
formula: C18H28N3O3
inchikey: KTLYRPBETGHXQC-UHFFFAOYSA-N
norman_susdat_id: NS00032076
pubchem_cid: 170854
smiles: F[B-](F)(F)F.CCCCOc1cc([N+]#N)c(OCCCC)cc1N1CCOCC1
inchi:
InChI=1S/C18H28N3O3/c1-3-5-9-23-17-14-16(21-7-11-22-12-8-21)18(13-15(17)20-19)24-10-6-4-2/h13-14H,3-12H2,1-2H3/q+1


name: Silandrone
cas: 5055-42-5
dtxsid: DTXSID60884126
formula: C22H36O2Si
inchikey: HNZDTAXZHUDITM-WLNPFYQQSA-N
norman_susdat_id: NS00044566
pubchem_cid: 68627
smiles: O=C1C=C2CCC3C(CCC4(C)C(O[Si](C)(C)C)CCC34)C2(C)CC1
inchi:
InChI=1/C22H36O2Si/c1-21-12-10-16(23)14-15(21)6-7-17-18-8-9-20(24-25(3,4)5)22(18,2)13-11-19(17)21/h14,17-20H,6-13H2,1-5H3


name: Metamizol
cas: 50567-35-6
chemspiderid: 72496
dtxsid: DTXSID6044143
formula: C13H17N3O4S1
inchikey: FTIZIWHMMAXWNW-UHFFFAOYSA-N
norman_susdat_id: NS00003399
pubchem_cid: 80254
smiles: Cc1c(CNCS(O)(=O)=O)c(=O)n(-c2ccccc2)n1C
inchi:
InChI=1S/C13H17N3O4S/c1-10-12(8-14-9-21(18,19)20)13(17)16(15(10)2)11-6-4-3-5-7-11/h3-7,14H,8-9H2,1-2H3,(H,18,19,20)


cas: 50586-59-9
formula: C6H14O3
norman_susdat_id: NS00101427
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol (3:1)


name: (5alpha)-Androsta-2,16-dien-17-yl acetate
cas: 50588-42-6
chemspiderid: 58106930
dtxsid: DTXSID50677362
formula: C21H30O2
inchikey: PEPMRHLQYPCJPR-UHFFFAOYSA-N
norman_susdat_id: NS00005154
pubchem_cid: 71437994
smiles: CC(=O)OC1=CCC2C3CCC4CC=CCC4(C)C3CCC12C
inchi:
InChI=1S/C21H30O2/c1-14(22)23-19-10-9-17-16-8-7-15-6-4-5-12-20(15,2)18(16)11-13-21(17,19)3/h4-5,10,15-18H,6-9,11-13H2,1-3H3


name: 2,5-dimethoxy-4-morpholinobenzenediazonium chloride, compound with zinc chloride
cas: 5059-60-9
dtxsid: DTXSID80964818
formula: C12H16N3O3
inchikey: CKIOTSAERDJNMI-UHFFFAOYSA-K
norman_susdat_id: NS00045770
pubchem_cid: 78752
smiles: [Cl-].[Cl-].[Cl-].[Zn+2].N#[N+]C=1C=C(OC)C(=CC1OC)N2CCOCC2
inchi:
InChI=1/C12H16N3O3.3ClH.Zn/c1-16-11-8-10(15-3-5-18-6-4-15)12(17-2)7-9(11)14-13;;;;/h7-8H,3-6H2,1-2H3;3*1H;/q+1;;;;+2/p-3


name: Phenol, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, acetate (ester)
cas: 50594-44-0
chemspiderid: 142355
dtxsid: DTXSID2028018
formula: C15H9Cl1F3N1O5
inchikey: PSWSPFSDVZVVDC-UHFFFAOYSA-N
norman_susdat_id: NS00004715
pubchem_cid: 162090
smiles: CC(=O)Oc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1N(=O)=O
inchi:
InChI=1S/C15H9ClF3NO5/c1-8(21)24-14-7-10(3-4-12(14)20(22)23)25-13-5-2-9(6-11(13)16)15(17,18)19/h2-7H,1H3


name: Acifluorfen
cas: 50594-66-6
chebiid: CHEBI:73172
chemspiderid: 40113
dtxsid: DTXSID0020022
formula: C14H7Cl1F3N1O5
inchikey: NUFNQYOELLVIPL-UHFFFAOYSA-N
norman_susdat_id: NS00009079
pubchem_cid: 44073
smiles: OC(=O)c1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+]([O-])=O
inchi:
InChI=1S/C14H7ClF3NO5/c15-10-5-7(14(16,17)18)1-4-12(10)24-8-2-3-11(19(22)23)9(6-8)13(20)21/h1-6H,(H,20,21)


name: Acifluorfen-methyl
cas: 50594-67-7
chemspiderid: 82745
dtxsid: DTXSID8041583
formula: C15H9ClF3NO5
inchikey: AHGMXAFUHVRQAD-UHFFFAOYSA-N
norman_susdat_id: NS00073898
pubchem_cid: 91642
smiles: COC(=O)C1=C(C=CC(OC2=CC=C(C=C2Cl)C(F)(F)F)=C1)[N+]([O-])=O
inchi:
InChI=1S/C15H9ClF3NO5/c1-24-14(21)10-7-9(3-4-12(10)20(22)23)25-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3


name: Perfluorohexane sulfonamido amine
cas: 50598-28-2
chemspiderid: 100347
dtxsid: DTXSID7068556
formula: C11H13F13N2O2S1
inchikey: INDOGKYZYLAGEM-UHFFFAOYSA-N
norman_susdat_id: NS00011249
pubchem_cid: 111913
smiles: C(N[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCN(C)C
inchi:
InChI=1S/C11H13F13N2O2S/c1-26(2)5-3-4-25-29(27,28)11(23,24)9(18,19)7(14,15)6(12,13)8(16,17)10(20,21)22/h25H,3-5H2,1-2H3


name: 1-Octanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(phenylmethyl)-
cas: 50598-29-3
chemspiderid: 149379
dtxsid: DTXSID2068557
formula: C15H8F17N1O2S1
inchikey: GRXIBAUTCQPULC-UHFFFAOYSA-N
norman_susdat_id: NS00011331
pubchem_cid: 170860
smiles: C1=CC=C(C=C1)CN[S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C15H8F17NO2S/c16-8(17,10(20,21)12(24,25)14(28,29)30)9(18,19)11(22,23)13(26,27)15(31,32)36(34,35)33-6-7-4-2-1-3-5-7/h1-5,33H,6H2


name: cis-vaccenic acid
cas: 506-17-2
chebiid: CHEBI:50464
dtxsid: DTXSID70881242
formula: C18H34O2
inchikey: UWHZIFQPPBDJPM-FPLPWBNLSA-N
norman_susdat_id: NS00071142
pubchem_cid: 5282761
smiles: CCCCCC/C=CCCCCCCCCCC(=O)O
inchi:
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h7-8H,2-6,9-17H2,1H3,(H,19,20)/b8-7-


name: Linolelaidic Acid
cas: 506-21-8
chebiid: CHEBI:75108
dtxsid: DTXSID50897508
formula: C18H32O2
inchikey: OYHQOLUKZRVURQ-AVQMFFATSA-N
norman_susdat_id: NS00077070
smiles: CCCCCC=CCC=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: α-Eleostearic acid
cas: 506-23-0
chebiid: CHEBI:10275
chemspiderid: 4444560
formula: C18H30O2
inchikey: CUXYLFPMQMFGPL-WPOADVJFSA-N
norman_susdat_id: NS00018678
pubchem_cid: 5281115
smiles: CCCCC=CC=CC=CCCCCCCCC(=O)O
inchi:
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5+,8-7+,10-9-


name: Gamolenic acid
cas: 506-26-3
chebiid: CHEBI:28661
chemspiderid: 4444436
dtxsid: DTXSID7046170
formula: C18H30O2
inchikey: VZCCETWTMQHEPK-QNEBEIHSSA-N
norman_susdat_id: NS00009631
pubchem_cid: 5280933
smiles: CCCCCC=C/CC=C/CC=C/CCCCC(O)=O
inchi:
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h6-7,9-10,12-13H,2-5,8,11,14-17H2,1H3,(H,19,20)/b7-6-,10-9-,13-12-


name: 9-Eicosenoic acid
cas: 506-31-0
chemspiderid: 4574378
dtxsid: DTXSID6060135
formula: C20H38O2
inchikey: LQJBNNIYVWPHFW-UHFFFAOYSA-N
norman_susdat_id: NS00019902
pubchem_cid: 94159
smiles: CCCCCCCCCC/C=C/CCCCCCCC(=O)O
inchi:
InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h11-12H,2-10,13-19H2,1H3,(H,21,22)/b12-11+


name: Arachidonic acid
cas: 506-32-1
chemspiderid: 4471967
dtxsid: DTXSID4040420
formula: C20H32O2
inchikey: YZXBAPSDXZZRGB-CGRWFSSPSA-N
norman_susdat_id: NS00013367
pubchem_cid: 5312542
smiles: CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(O)=O
inchi:
InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6+,10-9+,13-12+,16-15+


name: (E)-docos-13-enoic acid
cas: 506-33-2
chebiid: CHEBI:165494
formula: C22H42O2
inchikey: DPUOLQHDNGRHBS-MDZDMXLPSA-N
norman_susdat_id: NS00080642
smiles: CCCCCCCC\C=C\CCCCCCCCCCCC(=O)O
inchi:
InChI=1/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h9-10H,2-8,11-21H2,1H3,(H,23,24)


name: Nervonic acid
cas: 506-37-6
chebiid: CHEBI:44247
chemspiderid: 4444565
formula: C24H46O2
inchikey: GWHCXVQVJPWHRF-KTKRTIGZSA-N
norman_susdat_id: NS00015174
pubchem_cid: 5281120
smiles: CCCCCCCC/C=CCCCCCCCCCCCCCC(=O)O
inchi:
InChI=1S/C24H46O2/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/h9-10H,2-8,11-23H2,1H3,(H,25,26)/b10-9-


name: Pentacosanoic acid
cas: 506-38-7
chebiid: CHEBI:39420
chemspiderid: 10036
dtxsid: DTXSID8075049
formula: C25H50O2
inchikey: MWMPEAHGUXCSMY-UHFFFAOYSA-N
norman_susdat_id: NS00032105
pubchem_cid: 10468
smiles: CCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
inchi:
InChI=1S/C25H50O2/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/h2-24H2,1H3,(H,26,27)


name: (9Z,12Z,15Z)-9,12,15-octadecatrien-1-ol
cas: 506-44-5
chebiid: CHEBI:77474
dtxsid: DTXSID80880766
formula: C18H32O
inchikey: IKYKEVDKGZYRMQ-PDBXOOCHSA-N
norman_susdat_id: NS00042892
pubchem_cid: 6436081
smiles: OCCCCCCCCC=CCC=CCC=CCC
inchi:
InChI=1/C18H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h3-4,6-7,9-10,19H,2,5,8,11-18H2,1H3


name: Hexacosanoic acid
cas: 506-46-7
chebiid: CHEBI:31009
chemspiderid: 10037
dtxsid: DTXSID7075050
formula: C26H52O2
inchikey: XMHIUKTWLZUKEX-UHFFFAOYSA-N
norman_susdat_id: NS00013439
pubchem_cid: 10469
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
inchi:
InChI=1S/C26H52O2/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/h2-25H2,1H3,(H,27,28)


name: Triacontanoic acid
cas: 506-50-3
chebiid: CHEBI:31003
chemspiderid: 10039
dtxsid: DTXSID7075052
formula: C30H60O2
inchikey: VHOCUJPBKOZGJD-UHFFFAOYSA-N
norman_susdat_id: NS00013844
pubchem_cid: 10471
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
inchi:
InChI=1S/C30H60O2/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)32/h2-29H2,1H3,(H,31,32)


name: 1-Hexacosanol
cas: 506-52-5
chebiid: CHEBI:28415
chemspiderid: 61478
dtxsid: DTXSID3027162
formula: C26H54O1
inchikey: IRHTZOCLLONTOC-UHFFFAOYSA-N
norman_susdat_id: NS00019402
pubchem_cid: 68171
smiles: CCCCCCCCCCCCCCCCCCCCCCCCCCO
inchi:
InChI=1S/C26H54O/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/h27H,2-26H2,1H3


name: Caproyl-Coa
cas: 5060-32-2
chebiid: CHEBI:27540
dtxsid: DTXSID40964834
formula: C27H46N7O17P3S
inchikey: OEXFMSFODMQEPE-HDRQGHTBSA-N
norman_susdat_id: NS00070446
pubchem_cid: 449118
inchi:
InChI=1S/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t16-,20-,21-,22+,26-/m1/s1

smiles:
CCCCCC(=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: Prednisolone steaglate
cas: 5060-55-9
chebiid: CHEBI:135871
chemspiderid: 64342
dtxsid: DTXSID3023504
formula: C41H64O8
inchikey: RBJROVWIRLFZFC-PNLFXGMVSA-N
norman_susdat_id: NS00032091
pubchem_cid: 71206
inchi:
InChI=1S/C41H64O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-36(45)49-29-37(46)48-28-35(44)41(47)25-23-33-32-21-20-30-26-31(42)22-24-39(30,2)38(32)34(43)27-40(33,41)3/h22,24,26,32-34,38,43,47H,4-21,23,25,27-29H2,1-3H3/t32-,33-,34-,38+,39-,40-,41-/m0/s1

smiles:
CCCCCCCCCCCCCCCCCC(=O)OCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@]12C


name: 2-Hydroxy-4,6-bissulfanilino-1,3,5-triazin
cas: 50602-56-7
chemspiderid: NA
formula: C15H13N5O7S2
inchikey: MIHUOTVWJJTAAA-UHFFFAOYSA-N
norman_susdat_id: NS00007318
pubchem_cid: 15820862
smiles: Oc1nc(Nc2ccc(cc2)S(O)(=O)=O)nc(Nc2ccc(cc2)S(O)(=O)=O)n1
inchi:
InChI=1S/C15H13N5O7S2/c21-15-19-13(16-9-1-5-11(6-2-9)28(22,23)24)18-14(20-15)17-10-3-7-12(8-4-10)29(25,26)27/h1-8H,(H,22,23,24)(H,25,26,27)(H3,16,17,18,19,20,21)


name: 5-[[4-(3,4-dihydro-4-oxo-2-quinazolinyl)phenyl]azo]-2,6-dihydroxy-4-methylnicotinonitrile
cas: 50603-25-3
formula: C21H14N6O3
inchikey: YPICLNDUWOLQPQ-UHFFFAOYSA-N
norman_susdat_id: NS00058617
pubchem_cid: NA
smiles: N#CC1=C(O)N=C(O)C(N=NC=2C=CC(=CC2)C3=NC=4C=CC=CC4C(=O)N3)=C1C
inchi:
InChI=1/C21H14N6O3/c1-11-15(10-22)20(29)25-21(30)17(11)27-26-13-8-6-12(7-9-13)18-23-16-5-3-2-4-14(16)19(28)24-18/h2-9H,1H3,(H,23,24,28)(H2,25,29,30)


name: Nafiverine
cas: 5061-22-3
chebiid: CHEBI:135822
formula: C34H38N2O4
inchikey: ZLFQARCCMWUSQE-UHFFFAOYSA-N
norman_susdat_id: NS00045285
pubchem_cid: 21137
smiles: O=C(OCCN1CCN(CCOC(=O)C(C2=CC=CC=3C=CC=CC32)C)CC1)C(C4=CC=CC=5C=CC=CC54)C
inchi:
InChI=1/C34H38N2O4/c1-25(29-15-7-11-27-9-3-5-13-31(27)29)33(37)39-23-21-35-17-19-36(20-18-35)22-24-40-34(38)26(2)30-16-8-12-28-10-4-6-14-32(28)30/h3-16,25-26H,17-24H2,1-2H3


name: Coelenteramide
cas: 50611-86-4
chebiid: CHEBI:41487
formula: C25H21N3O3
inchikey: CJIIERPDFZUYPI-UHFFFAOYSA-N
norman_susdat_id: NS00070306
smiles: O=C(Cc1ccc(O)cc1)Nc1ncc(-c2ccc(O)cc2)nc1Cc1ccccc1
inchi:
InChI=1S/C25H21N3O3/c29-20-10-6-18(7-11-20)15-24(31)28-25-22(14-17-4-2-1-3-5-17)27-23(16-26-25)19-8-12-21(30)13-9-19/h1-13,16,29-30H,14-15H2,(H,26,28,31)


name: 2-(4-acetoxy-3-tert-butylphenoxy)myristoyl chloride
cas: 50622-42-9
dtxsid: DTXSID00885915
formula: C26H41ClO4
inchikey: CIKIBKBOYUJPFA-UHFFFAOYSA-N
norman_susdat_id: NS00057224
pubchem_cid: 170870
smiles: O=C(OC1=CC=C(OC(C(=O)Cl)CCCCCCCCCCCC)C=C1C(C)(C)C)C
inchi:
InChI=1/C26H41ClO4/c1-6-7-8-9-10-11-12-13-14-15-16-24(25(27)29)31-21-17-18-23(30-20(2)28)22(19-21)26(3,4)5/h17-19,24H,6-16H2,1-5H3


name: Halometasone
cas: 50629-82-8
chemspiderid: 36341
dtxsid: DTXSID1048382
formula: C22H27Cl1F2O5
inchikey: GGXMRPUKBWXVHE-GLJAMHGDSA-N
norman_susdat_id: NS00005993
pubchem_cid: 39745
smiles: C[C@@H]1CC2[C@@H]3C[C@H](F)C4=CC(=O)C(Cl)=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
inchi:
InChI=1S/C22H27ClF2O5/c1-10-4-11-12-5-15(24)13-6-16(27)14(23)7-19(13,2)21(12,25)17(28)8-20(11,3)22(10,30)18(29)9-26/h6-7,10-12,15,17,26,28,30H,4-5,8-9H2,1-3H3/t10-,11?,12+,15+,17+,19+,20+,21+,22+/m1/s1


name: 3beta,5alpha,6beta,17-Tetrahydroxy-16alpha-methylpregnan-20-one 3-acetate
cas: 50629-89-5
chemspiderid: 4954664
dtxsid: DTXSID00198673
formula: C24H38O6
inchikey: GPUSZBZFXMIRDS-MZVKURBCSA-N
norman_susdat_id: NS00032099
pubchem_cid: 6452225
smiles: C[C@@H]1C[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@H](CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(=O)C)OC(=O)C
inchi:
InChI=1S/C24H38O6/c1-13-10-19-17-11-20(27)23(28)12-16(30-15(3)26)6-8-21(23,4)18(17)7-9-22(19,5)24(13,29)14(2)25/h13,16-20,27-29H,6-12H2,1-5H3/t13-,16+,17-,18+,19+,20-,21-,22+,23+,24+/m1/s1


name: 2H-1,3,5-Oxadiazine-2,4,6(3H,5H)-trione, 3,5-bis(6-isocyanatohexyl)-
cas: 50639-37-7
chemspiderid: 149393
dtxsid: DTXSID1068566
formula: C17H24N4O6
inchikey: CWYAQUMZIHGIEF-UHFFFAOYSA-N
norman_susdat_id: NS00032107
pubchem_cid: 170876
smiles: O=C=NCCCCCCn1c(=O)oc(=O)n(CCCCCCN=C=O)c1=O
inchi:
InChI=1S/C17H24N4O6/c22-13-18-9-5-1-3-7-11-20-15(24)21(17(26)27-16(20)25)12-8-4-2-6-10-19-14-23/h1-12H2


name: CETETH-8 PHOSPHATE
cas: 50643-20-4
chemspiderid: 55855
formula: C18H39O5P1
inchikey: OLORIKAYHUAJHN-UHFFFAOYSA-N
norman_susdat_id: NS00013440
pubchem_cid: 62008
smiles: CCCCCCCCCCCCCCCCOCCO[P](O)(O)=O
inchi:
InChI=1S/C18H39O5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-17-18-23-24(19,20)21/h2-18H2,1H3,(H2,19,20,21)


name: Chaetoglobosin C
cas: 50645-76-6
chemspiderid: 10235105
dtxsid: DTXSID50891804
formula: C32H36N2O5
inchikey: RIZAHVBYKWUPHQ-MASOQXDXSA-N
norman_susdat_id: NS00094879
pubchem_cid: 102093917
inchi:
InChI=1S/C32H36N2O5/c1-17-8-7-10-22-29-31(4,39-29)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(38)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-11,14,16-17,19,22,24,27,29,33H,8,12-13,15H2,1-4H3,(H,34,38)/b10-7-,18-14-/t17-,19-,22-,24-,27-,29-,31+,32+/m0/s1

smiles:
C[C@H]/1C/C=C[C@H]2[C@H]3[C@](O3)([C@H]([C@@H]4[C@@]2(C(=O)CCC(=O)C(=O)/C(=C1)/C)C(=O)N[C@H]4CC5=CNC6=CC=CC=C65)C)C


name: Pentylphenyl octyloxybenzoate
cas: 50649-56-4
chemspiderid: 2284473
dtxsid: DTXSID80198691
formula: C26H36O3
inchikey: BDTRDPSFINNZRW-UHFFFAOYSA-N
norman_susdat_id: NS00032111
pubchem_cid: 3016539
smiles: CCCCCCCCOc1ccc(cc1)C(=O)Oc1ccc(CCCCC)cc1
inchi:
InChI=1S/C26H36O3/c1-3-5-7-8-9-11-21-28-24-19-15-23(16-20-24)26(27)29-25-17-13-22(14-18-25)12-10-6-4-2/h13-20H,3-12,21H2,1-2H3


name: Benzoic acid, 4-propyl-, 4-pentylphenyl ester
cas: 50649-60-0
chemspiderid: 149396
dtxsid: DTXSID5068570
formula: C21H26O2
inchikey: WNBFPAKRCJNBBS-UHFFFAOYSA-N
norman_susdat_id: NS00032113
pubchem_cid: 170879
smiles: CCCCCc1ccc(OC(=O)c2ccc(CCC)cc2)cc1
inchi:
InChI=1S/C21H26O2/c1-3-5-6-8-18-11-15-20(16-12-18)23-21(22)19-13-9-17(7-4-2)10-14-19/h9-16H,3-8H2,1-2H3


cas: 50655-31-7
dtxsid: DTXSID80198696
formula: C8H24N2O11P4
inchikey: OAOWBBVRGJRMNJ-UHFFFAOYSA-H
norman_susdat_id: NS00058153
pubchem_cid: 6452232
name:
Hexasodium [[[2-[[[bis(hydroxymethyl)phosphino]methyl](phosphonatomethyl)amino]ethyl]imino]bis(methylene)]bisphosphonate

inchi:
InChI=1/C8H24N2O11P4.6Na/c11-7-22(8-12)3-9(4-23(13,14)15)1-2-10(5-24(16,17)18)6-25(19,20)21;;;;;;/h11-12H,1-8H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21);;;;;;/q;6*+1/p-6

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].O=P([O-])([O-])CN(CP(CO)CO)CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]


name: Chasmanine
cas: 5066-78-4
chemspiderid: 10179306
dtxsid: DTXSID80964898
formula: C25H41NO6
inchikey: DBODJJZRZFZBBD-UHFFFAOYNA-N
norman_susdat_id: NS00067888
pubchem_cid: 20055812
inchi:
InChI=1S/C25H41NO6/c1-6-26-11-23(12-29-2)8-7-16(31-4)25-14-9-13-15(30-3)10-24(28,17(14)19(13)27)18(22(25)26)20(32-5)21(23)25/h13-22,27-28H,6-12H2,1-5H3/t13-,14-,15+,16+,17-,18+,19+,20+,21-,22?,23+,24-,25+/m1/s1


cas: 50662-99-2
formula: C25H18Cl3N9O10S3.3Na
inchikey: WTPOYMNMKZIOGO-UHFFFAOYSA-K
norman_susdat_id: NS00089250
name:
Trisodium 4-[[4-chloro-6-[(4-sulphonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-[[1-(2,5-dichloro-4-sulphonatophenyl)-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-4-yl]azo]benzenesulphonate

inchi:
InChI=1/C25H18Cl3N9O10S3.3Na/c1-11-21(22(38)37(36-11)18-9-16(27)20(10-15(18)26)50(45,46)47)35-34-17-8-13(4-7-19(17)49(42,43)44)30-25-32-23(28)31-24(33-25)29-12-2-5-14(6-3-12)48(39,40)41;;;/h2-10,21H,1H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H2,29,30,31,32,33);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc(cc1)Nc2nc(nc(Cl)n2)Nc5cc(N=NC4C(\C)=N/N(c3cc(Cl)c(cc3Cl)S([O-])(=O)=O)C4=O)c(cc5)S([O-])(=O)=O


cas: 50663-00-8
formula: C19H18Cl2N4O11S3
inchikey: RPCAXWCLDQZWJF-UHFFFAOYSA-L
norman_susdat_id: NS00057790
pubchem_cid: 3016541
name:
Disodium 2,5-dichloro-4-[4,5-dihydro-4-[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C19H18Cl2N4O11S3.2Na/c1-10-18(19(26)25(24-10)15-8-13(21)17(9-12(15)20)38(29,30)31)23-22-14-7-11(3-4-16(14)35-2)37(27,28)6-5-36-39(32,33)34;;/h3-4,7-9,18H,5-6H2,1-2H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1N(N=C(C)C1N=NC2=CC(=CC=C2OC)S(=O)(=O)CCOS(=O)(=O)[O-])C3=CC(Cl)=C(C=C3Cl)S(=O)(=O)[O-]


name: Ethyl 1-(6-amino-9H-purin-9-yl)-1-deoxy-ß-D-ribofuranuronate monohydrochloride
cas: 50663-70-2
dtxsid: DTXSID50964901
formula: C12H15N5O5
inchikey: ZVHKBPIFLBGJIL-RZDNRXEISA-N
norman_susdat_id: NS00057791
pubchem_cid: 10427685
smiles: Cl.O=C(OCC)C1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O
inchi:
InChI=1/C12H15N5O5.ClH/c1-2-21-12(20)8-6(18)7(19)11(22-8)17-4-16-5-9(13)14-3-15-10(5)17;/h3-4,6-8,11,18-19H,2H2,1H3,(H2,13,14,15);1H


name: N-(3-Amino-4-chlorophenyl)-2-(2,4-di-tert-pentylphenoxy)acetamide
cas: 50671-00-6
chemspiderid: 2103294
dtxsid: DTXSID30198707
formula: C24H33Cl1N2O2
inchikey: VJBWNWHIBDSGSK-UHFFFAOYSA-N
norman_susdat_id: NS00032119
pubchem_cid: 2825121
smiles: CCC(C)(C)c1ccc(OCC(=O)Nc2cc(N)c(Cl)cc2)c(c1)C(C)(C)CC
inchi:
InChI=1S/C24H33ClN2O2/c1-7-23(3,4)16-9-12-21(18(13-16)24(5,6)8-2)29-15-22(28)27-17-10-11-19(25)20(26)14-17/h9-14H,7-8,15,26H2,1-6H3,(H,27,28)


cas: 50671-46-0
formula: C31H32Cl2N3O4S
inchikey: YZUGTCCVECNRBN-UHFFFAOYSA-N
norman_susdat_id: NS00058210
pubchem_cid: NA
smiles: O=S(=O)([O-])CCCCN1C2=CC(Cl)=C(Cl)C=C2N(C1=CC=CC=3OC4=CC=C(C=C4[N+]3CC)C=5C=CC=CC5)CC
name:
2-[3-[5,6-dichloro-1-ethyl-1,3-dihydro-3-(4-sulphonatobutyl)-2H-benzimidazol-2-ylidene]prop-1-enyl]-3-ethyl-5-phenylbenzoxazolium

inchi:
InChI=1/C31H31Cl2N3O4S/c1-3-34-26-20-24(32)25(33)21-27(26)36(17-8-9-18-41(37,38)39)30(34)13-10-14-31-35(4-2)28-19-23(15-16-29(28)40-31)22-11-6-5-7-12-22/h5-7,10-16,19-21H,3-4,8-9,17-18H2,1-2H3


cas: 50676-82-9
chemspiderid: 4954677
dtxsid: DTXSID80198717
formula: C11H19N5O15P4
inchikey: YBCREBUYVIOBIV-IOSLPCCCSA-N
norman_susdat_id: NS00032121
pubchem_cid: 6452238
smiles: Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)CP(=O)(O)O)[C@@H](O)[C@H]1O
name:
Adenosine 5'-(hydrogen ((hydroxy((hydroxy(phosphonooxy)phosphinyl)oxy)phosphinyl)methyl)phosphonate)

inchi:
InChI=1S/C11H19N5O15P4/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(29-11)1-28-34(24,25)31-35(26,27)30-33(22,23)4-32(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H,24,25)(H,26,27)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1


name: 16-a-chloro-20-oxopregn-5-en-3-ß-yl acetate
cas: 50678-52-9
dtxsid: DTXSID60964912
formula: C23H33ClO3
inchikey: VEIABLNKNSOQQY-LXGBQXIBSA-N
norman_susdat_id: NS00059264
pubchem_cid: 22213258
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C(C(=O)C)C(Cl)CC34)C2(C)CC1)C
inchi:
InChI=1/C23H33ClO3/c1-13(25)21-20(24)12-19-17-6-5-15-11-16(27-14(2)26)7-9-22(15,3)18(17)8-10-23(19,21)4/h5,16-21H,6-12H2,1-4H3


name: Terfenadine
cas: 50679-08-8
chebiid: CHEBI:9453
chemspiderid: 5212
dtxsid: DTXSID2023642
formula: C32H41N1O2
inchikey: GUGOEEXESWIERI-UHFFFAOYSA-N
norman_susdat_id: NS00006817
pubchem_cid: 5405
smiles: CC(C)(C)c1ccc(cc1)C(O)CCCN1CCC(CC1)C(O)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C32H41NO2/c1-31(2,3)26-18-16-25(17-19-26)30(34)15-10-22-33-23-20-29(21-24-33)32(35,27-11-6-4-7-12-27)28-13-8-5-9-14-28/h4-9,11-14,16-19,29-30,34-35H,10,15,20-24H2,1-3H3


name: S-benzyl-N-[tert-butoxycarbonyl]-L-cysteine
cas: 5068-28-0
dtxsid: DTXSID80884128
formula: C15H21NO4S
inchikey: IFVORPLRHYROAA-LBPRGKRZSA-N
norman_susdat_id: NS00044619
pubchem_cid: 2724757
smiles: O=C(OC(C)(C)C)NC(C(=O)O)CSCC=1C=CC=CC1
inchi:
InChI=1/C15H21NO4S/c1-15(2,3)20-14(19)16-12(13(17)18)10-21-9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3,(H,16,19)(H,17,18)


name: N-(2-Carboxyethyl)-N-(1-oxooctadecyl)-beta-alanine
cas: 50695-81-3
chemspiderid: 4954679
dtxsid: DTXSID70198746
formula: C24H45N1O5
inchikey: HYHKJBUKZOXUSV-UHFFFAOYSA-N
norman_susdat_id: NS00032125
pubchem_cid: 6452240
smiles: CCCCCCCCCCCCCCCCCC(=O)N(CCC(=O)O)CCC(=O)O
inchi:
InChI=1S/C24H45NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(26)25(20-18-23(27)28)21-19-24(29)30/h2-21H2,1H3,(H,27,28)(H,29,30)


name: Phenylundecanoic acid
cas: 50696-68-9
formula: C17H26O2
inchikey: MFFBRYVNFNFSMY-UHFFFAOYSA-N
norman_susdat_id: NS00057856
pubchem_cid: 21115459
smiles: O=C(O)C(C=1C=CC=CC1)CCCCCCCCC
inchi:
InChI=1/C17H26O2/c1-2-3-4-5-6-7-11-14-16(17(18)19)15-12-9-8-10-13-15/h8-10,12-13,16H,2-7,11,14H2,1H3,(H,18,19)


name: L-lysine mono[2-(p-chlorophenoxy)-2-methylpropionate]
cas: 50697-50-2
formula: C10H11ClO3.C6H14N2O2
inchikey: GICOKXUAIACRIF-ZSCHJXSPSA-N
norman_susdat_id: NS00089088
smiles: CC(C)(Oc1ccc(Cl)cc1)C(=O)O.NCCCC[C@H](N)C(=O)O
inchi:
InChI=1/C10H11ClO3.C6H14N2O2/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8;7-4-2-1-3-5(8)6(9)10/h3-6H,1-2H3,(H,12,13);5H,1-4,7-8H2,(H,9,10)


name: Tetracosyl acrylate
cas: 50698-54-9
chemspiderid: 2284479
dtxsid: DTXSID90198748
formula: C27H52O2
inchikey: NWCXWRNETRHMRW-UHFFFAOYSA-N
norman_susdat_id: NS00032127
pubchem_cid: 3016548
smiles: CCCCCCCCCCCCCCCCCCCCCCCCOC(=O)C=C
inchi:
InChI=1S/C27H52O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-29-27(28)4-2/h4H,2-3,5-26H2,1H3


name: Tetraphenylarsonium bromide
cas: 507-27-7
formula: C24H20As.Br
inchikey: NZUQEBQRKNZZDO-UHFFFAOYSA-M
norman_susdat_id: NS00080395
smiles: [Br-].c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4
inchi:
InChI=1/C24H20As.BrH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/q+1;/p-1


name: Tetraphenylarsonium chloride
cas: 507-28-8
formula: C24H20As.Cl
inchikey: NRZGVGVFPHPXEO-UHFFFAOYSA-M
norman_susdat_id: NS00080676
smiles: [Cl-].c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccccc4
inchi:
InChI=1/C24H20As.ClH/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;/h1-20H;1H/q+1;/p-1


name: Scilliroside
cas: 507-60-8
chemspiderid: 56145
dtxsid: DTXSID5042374
formula: C32H44O12
inchikey: LSMIOFMZNVEEBR-UHFFFAOYSA-N
norman_susdat_id: NS00007409
pubchem_cid: 62354
smiles: CC(=O)OC1CC2(O)C(CCC3(C)C(CCC23O)c2ccc(=O)oc2)C2(C)CCC(OC3OC(CO)C(O)C(O)C3O)C=C12
inchi:
InChI=1S/C32H44O12/c1-16(34)42-21-13-31(39)23(8-10-30(3)19(7-11-32(30,31)40)17-4-5-24(35)41-15-17)29(2)9-6-18(12-20(21)29)43-28-27(38)26(37)25(36)22(14-33)44-28/h4-5,12,15,18-19,21-23,25-28,33,36-40H,6-11,13-14H2,1-3H3


name: Tazettine
cas: 507-79-9
chebiid: CHEBI:32185
chemspiderid: 4479445
dtxsid: DTXSID10878333
formula: C18H21NO5
inchikey: YLWAQARRNQVEHD-PBZHRCKQSA-N
norman_susdat_id: NS00094645
pubchem_cid: 5321780
smiles: CO[C@H]1C[C@@H]2N(C)C[C@@]3(O)OCC4=CC5=C(OCO5)C=C4[C@@]23C=C1
inchi:
InChI=1S/C18H21NO5/c1-19-9-18(20)17(4-3-12(21-2)6-16(17)19)13-7-15-14(22-10-23-15)5-11(13)8-24-18/h3-5,7,12,16,20H,6,8-10H2,1-2H3/t12-,16+,17+,18-/m1/s1


name: Pennogenin
cas: 507-89-1
chebiid: CHEBI:71824
chemspiderid: 12314056
formula: C27H42O4
inchikey: SYYHBUHOUUETMI-WJOMMTHPSA-N
norman_susdat_id: NS00093691
pubchem_cid: 23253323
smiles:
C[C@@H]1CC[C@@]2([C@H]([C@]3([C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)O)C)OC1


name: 17-azido-3ß,16a-dihydroxy-5a-pregnane-11,20-dione
cas: 5070-88-2
dtxsid: DTXSID10964947
formula: C21H32N3O4
inchikey: DIEUKTMUMCPTRI-KVHDYMSOSA-N
norman_susdat_id: NS00045382
pubchem_cid: 107625
smiles: [N-]=[N+]=NC1(C(=O)C)C(O)CC2C3CCC4CC(O)CCC4(C)C3C(=O)CC21C
inchi:
InChI=1/C21H31N3O4/c1-11(25)21(23-24-22)17(28)9-15-14-5-4-12-8-13(26)6-7-19(12,2)18(14)16(27)10-20(15,21)3/h12-15,17-18,26,28H,4-10H2,1-3H3


name: 3ß-hydroxy-2'-methyl-5a,16ß-5'H-pregnano[17,16-d]oxazole-11,20-dione 3-acetate
cas: 5070-96-2
formula: C25H35NO5
inchikey: ZJWUDNPGNLKAQI-UHFFFAOYSA-N
norman_susdat_id: NS00045311
pubchem_cid: NA
smiles: O=C(OC1CCC2C3C(=O)CC4(C)C(CC5OC(=NC54C(=O)C)C)C3CCC2C1C)C
inchi:
InChI=1/C25H35NO5/c1-12-16-6-7-18-19-10-22-25(13(2)27,26-14(3)30-22)24(19,5)11-20(29)23(18)17(16)8-9-21(12)31-15(4)28/h12,16-19,21-23H,6-11H2,1-5H3


name: Vecuronium
cas: 50700-72-6
chebiid: CHEBI:9939
chemspiderid: 36358
formula: C34H57N2O4
inchikey: BGSZAXLLHYERSY-XQIGCQGXSA-N
norman_susdat_id: NS00008707
pubchem_cid: 39765
inchi:
InChI=1S/C34H57N2O4/c1-23(37)39-31-20-25-12-13-26-27(34(25,4)22-29(31)35-16-8-6-9-17-35)14-15-33(3)28(26)21-30(32(33)40-24(2)38)36(5)18-10-7-11-19-36/h25-32H,6-22H2,1-5H3/q+1/t25-,26+,27-,28-,29-,30-,31-,32-,33-,34-/m0/s1

smiles:
CC(=O)O[C@H]1[C@H](C[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(C)=O)[C@H](C[C@]4(C)[C@H]3CC[C@]12C)N1CCCCC1)[N+]1(C)CCCCC1


name: 3-Acetyldeoxynivalenol
cas: 50722-38-8
chebiid: CHEBI:146195
chemspiderid: 94569
dtxsid: DTXSID60891850
formula: C17H22O7
inchikey: ADFIQZBYNGPCGY-HTJQZXIKSA-N
norman_susdat_id: NS00094898
pubchem_cid: 5458510
smiles: CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)OC(=O)C)C)CO
inchi:
InChI=1S/C17H22O7/c1-8-4-11-16(6-18,13(21)12(8)20)15(3)5-10(23-9(2)19)14(24-11)17(15)7-22-17/h4,10-11,13-14,18,21H,5-7H2,1-3H3/t10-,11-,13-,14-,15-,16-,17+/m1/s1


name: 1-[bis(benzyloxy)phosphinoyl]-2-methylisothiourea
cas: 50725-10-5
dtxsid: DTXSID10964967
formula: C16H19N2O3PS
inchikey: JZELUQXMIHNIRU-UHFFFAOYSA-N
norman_susdat_id: NS00058264
pubchem_cid: NA
smiles: O=P(OCC=1C=CC=CC1)(OCC=2C=CC=CC2)NC(=N)SC
inchi:
InChI=1/C16H19N2O3PS/c1-23-16(17)18-22(19,20-12-14-8-4-2-5-9-14)21-13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3,(H2,17,18,19)


name: 1,3,5-Triazine-2,4-diamine, 6-[2-(2-undecyl-1H-imidazol-1-yl)ethyl]-
cas: 50729-75-4
chemspiderid: 142762
dtxsid: DTXSID0068579
formula: C19H33N7
inchikey: QZDGTFKTHGKXEP-UHFFFAOYSA-N
norman_susdat_id: NS00032132
pubchem_cid: 162605
smiles: CCCCCCCCCCCc1nccn1CCc1nc(N)nc(N)n1
inchi:
InChI=1S/C19H33N7/c1-2-3-4-5-6-7-8-9-10-11-17-22-13-15-26(17)14-12-16-23-18(20)25-19(21)24-16/h13,15H,2-12,14H2,1H3,(H4,20,21,23,24,25)


name: 6-(2-(2-Ethyl-4-methyl-1H-imidazol-1-yl)ethyl)-1,3,5-triazine-2,4-diamine
cas: 50729-78-7
chemspiderid: 4954688
dtxsid: DTXSID10198780
formula: C11H17N7
inchikey: QKCRGKWVRITBFH-UHFFFAOYSA-N
norman_susdat_id: NS00032133
pubchem_cid: 6452249
smiles: CCc1nc(C)cn1CCc1nc(N)nc(N)n1
inchi:
InChI=1S/C11H17N7/c1-3-9-14-7(2)6-18(9)5-4-8-15-10(12)17-11(13)16-8/h6H,3-5H2,1-2H3,(H4,12,13,15,16,17)


name: Bis(pentafluorophenyl) phenyl phosphite
cas: 5074-71-5
dtxsid: DTXSID90198783
formula: C18H5F10O3P
inchikey: NIXDKPKOZYHAIG-UHFFFAOYSA-N
norman_susdat_id: NS00044635
pubchem_cid: 21115590
smiles: FC=1C(F)=C(F)C(OP(OC=2C=CC=CC2)OC=3C(F)=C(F)C(F)=C(F)C3F)=C(F)C1F
inchi:
InChI=1/C18H5F10O3P/c19-7-9(21)13(25)17(14(26)10(7)22)30-32(29-6-4-2-1-3-5-6)31-18-15(27)11(23)8(20)12(24)16(18)28/h1-5H


name: (2-hydroxytrimethylene)bis[dodecyldimethylammonium] dichloride
cas: 50744-87-1
formula: C31H68N2O.2Cl
inchikey: QBJONSOVMCQLOK-UHFFFAOYSA-L
norman_susdat_id: NS00089737
smiles: [Cl-].[Cl-].CCCCCCCCCCCC[N+](C)(C)CC(O)C[N+](C)(C)CCCCCCCCCCCC
inchi:
InChI=1/C31H68N2O.2ClH/c1-7-9-11-13-15-17-19-21-23-25-27-32(3,4)29-31(34)30-33(5,6)28-26-24-22-20-18-16-14-12-10-8-2;;/h31,34H,7-30H2,1-6H3;2*1H/q+2;;/p-2


name: Cdk2/9 Inhibitor
cas: 507487-89-0
dtxsid: DTXSID30332265
formula: C14H12N6O2S
inchikey: DYTKVFHLKPDNRW-UHFFFAOYSA-N
norman_susdat_id: NS00068911
pubchem_cid: 447961
smiles: Cc1nc(N)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1
inchi:
InChI=1S/C14H12N6O2S/c1-8-12(23-13(15)17-8)11-5-6-16-14(19-11)18-9-3-2-4-10(7-9)20(21)22/h2-7H,1H3,(H2,15,17)(H,16,18,19)


name: 4'-(Isopropyl)(1,1'-biphenyl)yl 6-diazo-5,6-dihydro-5-oxonaphthalene-1-sulphonate
cas: 50764-82-4
chemspiderid: 4954691
dtxsid: DTXSID00198799
formula: C25H20N2O4S1
inchikey: JUWUIAQZIZUONO-UHFFFAOYSA-N
norman_susdat_id: NS00032139
pubchem_cid: 6452252
smiles: CC(C)c1ccc(cc1)c1ccccc1OS(=O)(=O)c1c2C=CC(=[N+]=[N-])C(=O)c2ccc1
inchi:
InChI=1S/C25H20N2O4S/c1-16(2)17-10-12-18(13-11-17)19-6-3-4-8-23(19)31-32(29,30)24-9-5-7-21-20(24)14-15-22(27-26)25(21)28/h3-16H,1-2H3


cas: 50771-78-3
dtxsid: DTXSID90965018
formula: C33H46Cl2N2O4
inchikey: PGTKBBBKIKZMMD-UHFFFAOYSA-N
norman_susdat_id: NS00058245
pubchem_cid: 3016553
smiles: O=C(NC1=CC=C(Cl)C(=C1)NC(=O)C(Cl)C(=O)C(C)(C)C)CCCOC2=CC=C(C=C2C(C)(C)CC)C(C)(C)CC
name:
N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-2-chloro-4,4-dimethyl-3-oxovaleramide

inchi:
InChI=1/C33H46Cl2N2O4/c1-10-32(6,7)21-14-17-26(23(19-21)33(8,9)11-2)41-18-12-13-27(38)36-22-15-16-24(34)25(20-22)37-30(40)28(35)29(39)31(3,4)5/h14-17,19-20,28H,10-13,18H2,1-9H3,(H,36,38)(H,37,40)


name: 4-(2,4-Bis(1,1-dimethylpropyl)phenoxy)butyryl chloride
cas: 50772-29-7
chemspiderid: 2284485
dtxsid: DTXSID70198807
formula: C20H31Cl1O2
inchikey: WBQWCMNVBGTAAM-UHFFFAOYSA-N
norman_susdat_id: NS00032140
pubchem_cid: 3016554
smiles: CCC(C)(C)c1cc(c(OCCCC(=O)Cl)cc1)C(C)(C)CC
inchi:
InChI=1S/C20H31ClO2/c1-7-19(3,4)15-11-12-17(23-13-9-10-18(21)22)16(14-15)20(5,6)8-2/h11-12,14H,7-10,13H2,1-6H3


name: Butanoic acid, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
cas: 50772-35-5
chemspiderid: 149412
dtxsid: DTXSID9068580
formula: C20H32O3
inchikey: LZSDVFDKDUZVFK-UHFFFAOYSA-N
norman_susdat_id: NS00032141
pubchem_cid: 170898
smiles: CCC(C)(C)c1cc(c(OCCCC(=O)O)cc1)C(C)(C)CC
inchi:
InChI=1S/C20H32O3/c1-7-19(3,4)15-11-12-17(23-13-9-10-18(21)22)16(14-15)20(5,6)8-2/h11-12,14H,7-10,13H2,1-6H3,(H,21,22)


name: 2,5-Bis(2,2,2-trifluoroethoxy)benzohydrazide
cas: 50778-75-1
chemspiderid: 2785653
dtxsid: DTXSID40393529
formula: C11H10F6N2O3
inchikey: WJYCMPVGQTYGSQ-UHFFFAOYSA-N
norman_susdat_id: NS00016066
pubchem_cid: 3547540
smiles: C1=CC(=C(C=C1OCC(F)(F)F)C(=O)NN)OCC(F)(F)F
inchi:
InChI=1S/C11H10F6N2O3/c12-10(13,14)4-21-6-1-2-8(22-5-11(15,16)17)7(3-6)9(20)19-18/h1-3H,4-5,18H2,(H,19,20)


name: 4-[3-[(trifluoromethyl)thio]phenyl]piperazine-1-propiononitrile monohydrochloride
cas: 50786-82-8
dtxsid: DTXSID80965022
formula: C14H16F3N3S
inchikey: JDGNUSJAGYKVGM-UHFFFAOYSA-N
norman_susdat_id: NS00058309
pubchem_cid: 21428330
smiles: Cl.N#CCCN1CCN(C=2C=CC=C(SC(F)(F)F)C2)CC1
inchi:
InChI=1/C14H16F3N3S.ClH/c15-14(16,17)21-13-4-1-3-12(11-13)20-9-7-19(8-10-20)6-2-5-18;/h1,3-4,11H,2,6-10H2;1H


name: Benzoic acid, 4-hexyl-, 4-cyanophenyl ester
cas: 50793-85-6
chemspiderid: 149419
dtxsid: DTXSID4068583
formula: C20H21N1O2
inchikey: DEUWEGPRKHPNKB-UHFFFAOYSA-N
norman_susdat_id: NS00032148
pubchem_cid: 170907
smiles: CCCCCCc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N
inchi:
InChI=1S/C20H21NO2/c1-2-3-4-5-6-16-7-11-18(12-8-16)20(22)23-19-13-9-17(15-21)10-14-19/h7-14H,2-6H2,1H3


name: Benzoic acid, 4-octyl-, 4-cyanophenyl ester
cas: 50793-86-7
chemspiderid: 149420
dtxsid: DTXSID9068584
formula: C22H25N1O2
inchikey: SWACKDWUUGZDRD-UHFFFAOYSA-N
norman_susdat_id: NS00032149
pubchem_cid: 170908
smiles: CCCCCCCCc1ccc(cc1)C(=O)Oc1ccc(cc1)C#N
inchi:
InChI=1S/C22H25NO2/c1-2-3-4-5-6-7-8-18-9-13-20(14-10-18)22(24)25-21-15-11-19(17-23)12-16-21/h9-16H,2-8H2,1H3


name: Oleanic acid
cas: 508-02-1
chebiid: CHEBI:37659
chemspiderid: 10062
dtxsid: DTXSID50858790
formula: C30H48O3
inchikey: MIJYXULNPSFWEK-GTOFXWBISA-N
norman_susdat_id: NS00019728
pubchem_cid: 10494
smiles: CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(=O)O
inchi:
InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1


name: Disodium 1,2,2-trimethylcyclopentane-1,3-dicarboxylate
cas: 508-36-1
formula: C10H16O4.2Na
inchikey: HTBITCNUUYEGAB-UHFFFAOYSA-L
norman_susdat_id: NS00080091
smiles: [Na+].[Na+].CC1(C)C(CCC1(C)C(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C10H16O4.2Na/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);;/q;2*+1/p-2


name: 14-Hydroxycodeinone
cas: 508-54-3
chemspiderid: 454722
formula: C18H19N1O4
inchikey: YYCRAERBSFHMPL-UHFFFAOYSA-N
norman_susdat_id: NS00004739
pubchem_cid: 521301
smiles: COc1ccc2CC3N(C)CCC45C(Oc1c24)C(=O)C=CC35O
inchi:
InChI=1S/C18H19NO4/c1-19-8-7-17-14-10-3-4-12(22-2)15(14)23-16(17)11(20)5-6-18(17,21)13(19)9-10/h3-6,13,16,21H,7-9H2,1-2H3


name: PARTHENIN
cas: 508-59-8
chebiid: CHEBI:7938
chemspiderid: 390756
dtxsid: DTXSID40877834
formula: C15H18O4
inchikey: LLQCRTZROWMVOL-JISBIHODSA-N
norman_susdat_id: NS00094714
pubchem_cid: 442288
smiles: C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)[C@]2(C)C(=O)C=C[C@@]12O
inchi:
InChI=1S/C15H18O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h6-8,10,12,18H,2,4-5H2,1,3H3/t8-,10-,12+,14-,15+/m0/s1


name: Neogermitrine
cas: 508-66-7
chemspiderid: 91799750
formula: C36H55NO11
inchikey: ZRZLKBPAQMKVJY-FAPMBQQVSA-N
norman_susdat_id: NS00094296
pubchem_cid: 52083425
smiles:
CC[C@@H](C)C(=O)O[C@H]1[C@@H]([C@H]2[C@@H](CN3C[C@H](CC[C@H]3[C@@]2(C)O)C)[C@H]4[C@@]1([C@@H]5[C@@H](C[C@H]6[C@]7([C@]5(C4)O[C@@]6([C@H](CC7)OC(=O)C)O)C)OC(=O)C)O)O


name: Convallatoxin
cas: 508-75-8
chebiid: CHEBI:27663
chemspiderid: 390428
formula: C29H42O10
inchikey: HULMNSIAKWANQO-JQKSAQOKSA-N
norman_susdat_id: NS00005101
pubchem_cid: 441852
inchi:
InChI=1S/C29H42O10/c1-15-22(32)23(33)24(34)25(38-15)39-17-3-8-27(14-30)19-4-7-26(2)18(16-11-21(31)37-13-16)6-10-29(26,36)20(19)5-9-28(27,35)12-17/h11,14-15,17-20,22-25,32-36H,3-10,12-13H2,1-2H3/t15-,17-,18+,19-,20+,22-,23+,24+,25-,26+,27-,28-,29-/m0/s1

smiles:
C[C@@H]1O[C@@H](O[C@H]2CC[C@]3(C=O)[C@H]4CC[C@]5(C)[C@H](CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)C2=CC(=O)OC2)[C@H](O)[C@H](O)[C@H]1O


name: Corchoroside A
cas: 508-76-9
chemspiderid: 12303930
formula: C29H42O9
inchikey: QBILRDAMJUPXCX-PDSBPYSYSA-N
norman_susdat_id: NS00093815
smiles:
C[C@@H]1[C@@H]([C@H](C[C@@H](O1)O[C@H]2CC[C@@]3([C@H]4CC[C@@]5([C@H](CC[C@@]5([C@@H]4CC[C@@]3(C2)O)O)C6=CC(=O)OC6)C)C=O)O)O


name: Cymarin
cas: 508-77-0
chebiid: CHEBI:4037
chemspiderid: 390429
formula: C30H44O9
inchikey: XQCGNURMLWFQJR-ZNDDOCHDSA-N
norman_susdat_id: NS00015394
pubchem_cid: 441853
smiles: CC1C(C(CC(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3(C2)O)O)C6=CC(=O)OC6)C)C=O)OC)O
inchi:
InChI=1S/C30H44O9/c1-17-26(33)23(36-3)13-25(38-17)39-19-4-9-28(16-31)21-5-8-27(2)20(18-12-24(32)37-15-18)7-11-30(27,35)22(21)6-10-29(28,34)14-19/h12,16-17,19-23,25-26,33-35H,4-11,13-15H2,1-3H3/t17-,19+,20-,21+,22-,23+,25+,26-,27-,28+,29+,30+/m1/s1


name: Hydrocortisone tebutate
cas: 508-96-3
chemspiderid: 10073
dtxsid: DTXSID00198830
formula: C27H40O6
inchikey: FNFPHNZQOKBKHN-KAJVQRHHSA-N
norman_susdat_id: NS00032167
pubchem_cid: 23424017
smiles: CC(C)(C)CC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C
inchi:
InChI=1S/C27H40O6/c1-24(2,3)14-22(31)33-15-21(30)27(32)11-9-19-18-7-6-16-12-17(28)8-10-25(16,4)23(18)20(29)13-26(19,27)5/h12,18-20,23,29,32H,6-11,13-15H2,1-5H3/t18-,19+,20+,23-,25+,26-,27+/m1/s1


name: 11ß,17,21-trihydroxypregn-4-ene-3,20-dione 21-cyclopentanepropionate
cas: 508-99-6
chebiid: CHEBI:5783
dtxsid: DTXSID90872930
formula: C29H42O6
inchikey: DLVOSEUFIRPIRM-KAQKJVHQSA-N
norman_susdat_id: NS00043955
pubchem_cid: 223253
smiles: O=C(OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C)CCC5CCCC5
inchi:
InChI=1/C29H42O6/c1-27-13-11-20(30)15-19(27)8-9-21-22-12-14-29(34,28(22,2)16-23(31)26(21)27)24(32)17-35-25(33)10-7-18-5-3-4-6-18/h15,18,21-23,26,31,34H,3-14,16-17H2,1-2H3


name: 4,4-Dimethyl-2,5-dioxoimidazolidine-1,3-dipropionic acid
cas: 50807-41-5
chemspiderid: 4954696
dtxsid: DTXSID60198836
formula: C11H16N2O6
inchikey: LQGSKDNLLJIRAI-UHFFFAOYSA-N
norman_susdat_id: NS00032152
pubchem_cid: 6452258
smiles: CC1(C)N(CCC(=O)O)C(=O)N(CCC(=O)O)C1=O
inchi:
InChI=1S/C11H16N2O6/c1-11(2)9(18)12(5-3-7(14)15)10(19)13(11)6-4-8(16)17/h3-6H2,1-2H3,(H,14,15)(H,16,17)


name: Sodium 4-[[4-[(2-phenyl-1H-indol-3-yl)azo]phenyl]azo]benzenesulphonate
cas: 50814-28-3
formula: C26H19N5O3S.Na
inchikey: MYQSVLROTCOCBD-UHFFFAOYSA-M
norman_susdat_id: NS00089123
smiles: [Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(cc2)N=Nc3c5ccccc5nc3c4ccccc4
inchi:
InChI=1/C26H19N5O3S.Na/c32-35(33,34)22-16-14-21(15-17-22)29-28-19-10-12-20(13-11-19)30-31-26-23-8-4-5-9-24(23)27-25(26)18-6-2-1-3-7-18;/h1-17,27H,(H,32,33,34);/q;+1/p-1


name: Disodium 4,4'-bis[(4-hydroxy-2-methylphenyl)azo]stilbene-2,2'-disulphonate
cas: 50814-29-4
dtxsid: DTXSID40889730
formula: C28H24N4O8S2
inchikey: XEDIAADXGXSTIR-ZCKCZGSLSA-L
norman_susdat_id: NS00058311
pubchem_cid: NA
inchi:
InChI=1/C28H24N4O8S2.2Na/c1-17-13-23(33)9-11-25(17)31-29-21-7-5-19(27(15-21)41(35,36)37)3-4-20-6-8-22(16-28(20)42(38,39)40)30-32-26-12-10-24(34)14-18(26)2;;/h3-16,33-34H,1-2H3,(H,35,36,37)(H,38,39,40);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(N=NC2=CC=C(O)C=C2C)=CC=C1C=CC3=CC=C(N=NC4=CC=C(O)C=C4C)C=C3S(=O)(=O)[O-]


name: Bis(3,3,4,4,5,5,6,6,6-nonafluorohexyl) butanedioate
cas: 508194-70-5
dtxsid: DTXSID40728796
formula: C16H12F18O4
inchikey: DVQHEDSMPBFNOO-UHFFFAOYSA-N
norman_susdat_id: NS00110236
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)CCC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C16H12F18O4/c17-9(18,11(21,22)13(25,26)15(29,30)31)3-5-37-7(35)1-2-8(36)38-6-4-10(19,20)12(23,24)14(27,28)16(32,33)34/h1-6H2


name: Vortioxetine
cas: 508233-74-7
chemspiderid: 8141643
dtxsid: DTXSID80965062
formula: C18H22N2S
inchikey: YQNWZWMKLDQSAC-UHFFFAOYSA-N
norman_susdat_id: NS00068019
pubchem_cid: 9966051
smiles: Cc1ccc(c(c1)C)Sc2ccccc2N3CCNCC3
inchi:
InChI=1S/C18H22N2S/c1-14-7-8-17(15(2)13-14)21-18-6-4-3-5-16(18)20-11-9-19-10-12-20/h3-8,13,19H,9-12H2,1-2H3


name: 3,3,4,4,5,5,6,6,7,8,8,8-Dodecafluoro-7-(trifluoromethyl)octyl prop-2-enoate
cas: 50836-65-2
chemspiderid: 2056541
dtxsid: DTXSID50379899
formula: C12H7F15O2
inchikey: UZNPGWWLKHTVQQ-UHFFFAOYSA-N
norman_susdat_id: NS00019099
pubchem_cid: 2776220
smiles: FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCOC(=O)C=C
inchi:
InChI=1S/C12H7F15O2/c1-2-5(28)29-4-3-6(13,14)8(16,17)10(20,21)9(18,19)7(15,11(22,23)24)12(25,26)27/h2H,1,3-4H2


name: (Perfluoro-5-methylhexyl)ethyl 2-methylprop-2-enoate
cas: 50836-66-3
chemspiderid: 2056543
dtxsid: DTXSID60379901
formula: C13H9F15O2
inchikey: SAIYGCOTLRCBJP-UHFFFAOYSA-N
norman_susdat_id: NS00019100
pubchem_cid: 2776222
smiles: CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
inchi:
InChI=1S/C13H9F15O2/c1-5(2)6(29)30-4-3-7(14,15)9(17,18)11(21,22)10(19,20)8(16,12(23,24)25)13(26,27)28/h1,3-4H2,2H3


name: Tolciclate
cas: 50838-36-3
chebiid: CHEBI:32242
chemspiderid: 5305
dtxsid: DTXSID0057758
formula: C20H21N1O1S1
inchikey: CANCCLAKQQHLNK-UHFFFAOYNA-N
norman_susdat_id: NS00032158
pubchem_cid: NA
smiles: CN(C(=S)Oc1ccc2C3CCC(C3)c2c1)c1cc(C)ccc1
inchi:
InChI=1S/C20H21NOS/c1-13-4-3-5-16(10-13)21(2)20(23)22-17-8-9-18-14-6-7-15(11-14)19(18)12-17/h3-5,8-10,12,14-15H,6-7,11H2,1-2H3/t14-,15+/m1/s1


cas: 5084-12-8
dtxsid: DTXSID6063696
formula: C38H45N5O3S
inchikey: CFRUNFQXALDGBM-UHFFFAOYSA-N
norman_susdat_id: NS00044636
pubchem_cid: 78767
smiles: O=C(NCCCCOC1=CC=C(C=C1C(C)(C)CC)C(C)(C)CC)C=2C=C(SC3=NN=NN3C=4C=CC=CC4)C=5C=CC=CC5C2O
name:
N-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butyl]-1-hydroxy-4-[(1-phenyl-1H-tetrazol-5-yl)thio]naphthalene-2-carboxamide

inchi:
InChI=1/C38H45N5O3S/c1-7-37(3,4)26-20-21-32(31(24-26)38(5,6)8-2)46-23-15-14-22-39-35(45)30-25-33(28-18-12-13-19-29(28)34(30)44)47-36-40-41-42-43(36)27-16-10-9-11-17-27/h9-13,16-21,24-25,44H,7-8,14-15,22-23H2,1-6H3,(H,39,45)


name: 1-hydroxy-4-(1-phenyl-1H-tetrazol-5-ylthio)-2'-tetradecyloxy-2-naphthanilide
cas: 5084-13-9
dtxsid: DTXSID1063697
formula: C38H45N5O3S
inchikey: RQJVRTHWJHBYOM-UHFFFAOYSA-N
norman_susdat_id: NS00044637
pubchem_cid: 78768
smiles: O=C(NC=1C=CC=CC1OCCCCCCCCCCCCCC)C=2C=C(SC3=NN=NN3C=4C=CC=CC4)C=5C=CC=CC5C2O
inchi:
InChI=1/C38H45N5O3S/c1-2-3-4-5-6-7-8-9-10-11-12-20-27-46-34-26-19-18-25-33(34)39-37(45)32-28-35(30-23-16-17-24-31(30)36(32)44)47-38-40-41-42-43(38)29-21-14-13-15-22-29/h13-19,21-26,28,44H,2-12,20,27H2,1H3,(H,39,45)


name: Ethyl 3,5-bis(benzyloxy)benzoate
cas: 50841-46-8
chemspiderid: 2284494
dtxsid: DTXSID70198882
formula: C23H22O4
inchikey: RQXAEHUFPQJLDD-UHFFFAOYSA-N
norman_susdat_id: NS00032159
pubchem_cid: 3016563
smiles: CCOC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
inchi:
InChI=1S/C23H22O4/c1-2-25-23(24)20-13-21(26-16-18-9-5-3-6-10-18)15-22(14-20)27-17-19-11-7-4-8-12-19/h3-15H,2,16-17H2,1H3


name: Undecylbenzenesulphonic acid
cas: 50854-94-9
formula: C17H28O3S
inchikey: XNESFGKFSZHIKF-UHFFFAOYSA-N
norman_susdat_id: NS00089300
smiles: CCCCCCCCCCCc1ccccc1S(=O)(=O)O
inchi:
InChI=1/C17H28O3S/c1-2-3-4-5-6-7-8-9-10-13-16-14-11-12-15-17(16)21(18,19)20/h11-12,14-15H,2-10,13H2,1H3,(H,18,19,20)


name: N-[2-[(2-hydroxyethyl)amino]ethyl]octadecenamide
cas: 50857-44-8
formula: C22H44N2O2
inchikey: UJAJTVMCLPKTRI-UHFFFAOYSA-N
norman_susdat_id: NS00089083
smiles: O=C(NCCNCCO)C=CCCCCCCCCCCCCCCC
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/h16-17,23,25H,2-15,18-21H2,1H3,(H,24,26)


name: 1-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]-3-tetradecylpyrrolidine-2,5-dione
cas: 50857-48-2
dtxsid: DTXSID80965087
formula: C26H53N5O2
inchikey: KCIOIFJVNZPLMQ-UHFFFAOYSA-N
norman_susdat_id: NS00056927
pubchem_cid: 3016568
smiles: O=C1N(C(=O)C(C1)CCCCCCCCCCCCCC)CCNCCNCCNCCN
inchi:
InChI=1/C26H53N5O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-24-23-25(32)31(26(24)33)22-21-30-20-19-29-18-17-28-16-15-27/h24,28-30H,2-23,27H2,1H3


cas: 50862-24-3
dtxsid: DTXSID60889752
formula: C14H30N2O3
inchikey: HNNQYELRKVFQMU-UHFFFAOYSA-L
norman_susdat_id: NS00056525
pubchem_cid: 170926
smiles: [Cl-].[Cl-].O=C(OCC[N+](C)(C)CC(O)C[N+](C)(C)C)C(=C)C
name:
N'-[2-(methacryloyloxy)ethyl]-N,N,N,N',N'-pentamethyl-N,N'-(2-hydroxypropane-1,3-diyl)diammonium dichloride

inchi:
InChI=1/C14H30N2O3.2ClH/c1-12(2)14(18)19-9-8-16(6,7)11-13(17)10-15(3,4)5;;/h13,17H,1,8-11H2,2-7H3;2*1H/q+2;;/p-2


name: Lauric acid, compound with 2-amino-2-methylpropan-1-ol (1:1)
cas: 50862-89-0
formula: C12H24O2.C4H11NO
inchikey: DHWJXTTXOWSBFM-UHFFFAOYSA-N
norman_susdat_id: NS00088616
smiles: CCCCCCCCCCCC(=O)O.CC(C)(N)CO
inchi:
InChI=1/C12H24O2.C4H11NO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;1-4(2,5)3-6/h2-11H2,1H3,(H,13,14);6H,3,5H2,1-2H3


name: Disodium 3,8,13,17-tetramethyl-7,12-divinyl-21H,23H-porphine-2,18-dipropionate
cas: 50865-01-5
formula: C34H34N4O4.2Na
inchikey: YYHUFTBFRORWMO-UHFFFAOYSA-L
norman_susdat_id: NS00088383
inchi:
InChI=1/C34H32N4O4.2Na/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;;/h7-8,13-16H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42);;/q;2*+1/p-2

smiles:
[Na+].[Na+].CC1=C(CCC(=O)[O-])C2=NC1=CC3=NC(=CC4=NC(=CC5=NC(=C2)C(=C5C)CCC(=O)[O-])C(=C4C=C)C)C(=C3C=C)C


name: Ergocristam
cas: 50868-53-6
chemspiderid: 58828136
dtxsid: DTXSID70893269
formula: C35H39N5O4
inchikey: KMDKLWZQLMBIBS-HVWSGMRBSA-N
norman_susdat_id: NS00094896
pubchem_cid: 101428704
inchi:
InChI=1S/C35H39N5O4/c1-20(2)31(35(44)40-29(15-21-9-5-4-6-10-21)33(42)39-14-8-13-27(39)34(40)43)37-32(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-28(25)38(3)19-23/h4-7,9-12,16,18,20,23,27-29,31,36H,8,13-15,17,19H2,1-3H3,(H,37,41)/t23-,27-,28-,29+,31+/m1/s1

smiles:
CC(C)[C@@H](C(=O)N1[C@H](C(=O)N2CCC[C@@H]2C1=O)CC3=CC=CC=C3)NC(=O)[C@H]4CN([C@@H]5CC6=CNC7=CC=CC(=C67)C5=C4)C


name: Trisodium 3-hydroxy-4-[(4-sulphonatophenyl)azo]naphthalene-2,7-disulphonate
cas: 50880-65-4
dtxsid: DTXSID3068594
formula: C16H12N2O10S3
inchikey: GLLLQTBFKJTGJH-UHFFFAOYSA-K
norman_susdat_id: NS00057006
pubchem_cid: 162612
smiles: [Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=C(N=NC=2C(O)=C(C=C3C=C(C=CC32)S(=O)(=O)[O-])S(=O)(=O)[O-])C=C1
inchi:
InChI=1/C16H12N2O10S3.3Na/c19-16-14(31(26,27)28)8-9-7-12(30(23,24)25)5-6-13(9)15(16)18-17-10-1-3-11(4-2-10)29(20,21)22;;;/h1-8,19H,(H,20,21,22)(H,23,24,25)(H,26,27,28);;;/q;3*+1/p-3


cas: 5089-16-7
dtxsid: DTXSID80889436
formula: C19H12Cl4N8O7S2
inchikey: JNRGKDIQDBVGRD-UHFFFAOYSA-L
norman_susdat_id: NS00045386
pubchem_cid: 107367
name:
Disodium 2,5-dichloro-4-[4-[[5-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]azo]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonate

inchi:
InChI=1/C19H12Cl4N8O7S2.2Na/c1-7-15(16(32)31(30-7)12-5-10(21)14(6-9(12)20)40(36,37)38)29-28-11-4-8(2-3-13(11)39(33,34)35)24-19-26-17(22)25-18(23)27-19;;/h2-6,15H,1H3,(H,33,34,35)(H,36,37,38)(H,24,25,26,27);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=C1N(N=C(C)C1N=NC2=CC(=CC=C2S(=O)(=O)[O-])NC=3N=C(Cl)N=C(Cl)N3)C4=CC(Cl)=C(C=C4Cl)S(=O)(=O)[O-]


name: 4,4'-carbonimidoylbis[N,N-dimethylaniline] acetate
cas: 5089-20-3
formula: C17H21N3.C2H4O2
inchikey: IUBRQGNYFJWZCB-UHFFFAOYSA-N
norman_susdat_id: NS00081030
smiles: CN(C)c1ccc(cc1)C(=N)c2ccc(cc2)N(C)C.CC(=O)O
inchi:
InChI=1/C17H21N3.C2H4O2/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;1-2(3)4/h5-12,18H,1-4H3;1H3,(H,3,4)


name: Benzoxazole, 2,2'-(1,4-naphthalenediyl)bis-
cas: 5089-22-5
chemspiderid: 71108
dtxsid: DTXSID6063698
formula: C24H14N2O2
inchikey: WFYSPVCBIJCZPX-UHFFFAOYSA-N
norman_susdat_id: NS00013564
pubchem_cid: 78769
smiles: o1c2ccccc2nc1c3ccc(c4oc5ccccc5n4)c6ccccc36
inchi:
InChI=1S/C24H14N2O2/c1-2-8-16-15(7-1)17(23-25-19-9-3-5-11-21(19)27-23)13-14-18(16)24-26-20-10-4-6-12-22(20)28-24/h1-14H


name: Pirinixic acid
cas: 50892-23-4
chebiid: CHEBI:32509
chemspiderid: 5492
dtxsid: DTXSID4020290
formula: C14H14Cl1N3O2S1
inchikey: SZRPDCCEHVWOJX-UHFFFAOYSA-N
norman_susdat_id: NS00015649
pubchem_cid: 5694
smiles: CC1=C(C(=CC=C1)NC2=CC(=NC(=N2)SCC(=O)O)Cl)C
inchi:
InChI=1S/C14H14ClN3O2S/c1-8-4-3-5-10(9(8)2)16-12-6-11(15)17-14(18-12)21-7-13(19)20/h3-6H,7H2,1-2H3,(H,19,20)(H,16,17,18)


name: (+)-alpha-Funebrene
cas: 50894-66-1
dtxsid: DTXSID30424912
formula: C15H24
inchikey: IRAQOCYXUMOFCW-GUIRCDHDSA-N
norman_susdat_id: NS00096275
smiles: C[C@@H]1CC[C@H]2C(C)(C)[C@@H]3C[C@]12CC=C3C
inchi:
InChI=1S/C15H24/c1-10-7-8-15-9-12(10)14(3,4)13(15)6-5-11(15)2/h7,11-13H,5-6,8-9H2,1-4H3/t11-,12-,13+,15-/m1/s1


name: R-Tetrahydropapaverine
cas: 50896-90-7
chemspiderid: 5225
formula: C20H25N1O4
inchikey: YXWQTVWJNHKSCC-UHFFFAOYSA-N
norman_susdat_id: NS00040727
pubchem_cid: 688594
smiles: COc1ccc(CC2NCCc3cc(OC)c(OC)cc23)cc1OC
inchi:
InChI=1S/C20H25NO4/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/h5-6,10-12,16,21H,7-9H2,1-4H3


name: Gelsemine
cas: 509-15-9
chemspiderid: 21249188
dtxsid: DTXSID40878487
formula: C20H22N2O2
inchikey: NFYYATWFXNPTRM-ZIWPNRSCSA-N
norman_susdat_id: NS00006472
pubchem_cid: 6713959
smiles: CN1C[C@@]2(C=C)C3CC4OCC3C1[C@@H]2[C@@]41C(=O)Nc2ccccc12
inchi:
InChI=1S/C20H22N2O2/c1-3-19-10-22(2)16-11-9-24-15(8-13(11)19)20(17(16)19)12-6-4-5-7-14(12)21-18(20)23/h3-7,11,13,15-17H,1,8-10H2,2H3,(H,21,23)/t11?,13?,15?,16?,17-,19-,20-/m0/s1


name: Ajacine
cas: 509-17-1
chemspiderid: 101667972
formula: C34H48N2O9
inchikey: NUXFDCYXMLVOFU-AYBRVATOSA-N
norman_susdat_id: NS00094359
pubchem_cid: 52085478
smiles:
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7NC(=O)C


name: Delsoline
cas: 509-18-2
chemspiderid: 60207520
formula: C25H41NO7
inchikey: JVBLTQQBEQQLEV-DIZROUMASA-N
norman_susdat_id: NS00094357
pubchem_cid: 22875325
smiles:
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]([C@H]31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)O)COC


name: Aconine
cas: 509-20-6
chebiid: CHEBI:132639
chemspiderid: 20054813
formula: C25H41NO9
inchikey: SQMGCPHFHQGPIF-JIOYIOPFSA-N
norman_susdat_id: NS00094332
pubchem_cid: 10202348
smiles:
CCN1C[C@@]2([C@@H](C[C@@H]([C@@]34[C@@H]2[C@H]([C@@H](C31)[C@@]5([C@@H]6[C@H]4C[C@@]([C@@H]6O)([C@H]([C@@H]5O)OC)O)O)OC)OC)O)COC


name: Delpheline
cas: 509-28-4
chemspiderid: 3083605
formula: C25H39NO6
inchikey: QZRLLIOCIZLBGL-YAEAOFIFSA-N
norman_susdat_id: NS00094353
pubchem_cid: 2340785
smiles:
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@]5(C31)[C@]6(C[C@@H]([C@H]7C[C@@H]4[C@@H]6[C@H]7OC)OC)OCO5)O)OC)C


name: C.I. Solvent Red 49
cas: 509-34-2
chemspiderid: 2006403
dtxsid: DTXSID3041744
formula: C28H30N2O3
inchikey: DZNJMLVCIZGWSC-UHFFFAOYSA-N
norman_susdat_id: NS00019729
pubchem_cid: 62357
smiles: CCN(CC)c1cc2c(cc1)C1(OC(=O)c3c1cccc3)c1ccc(cc1O2)N(CC)CC
inchi:
InChI=1S/C28H30N2O3/c1-5-29(6-2)19-13-15-23-25(17-19)32-26-18-20(30(7-3)8-4)14-16-24(26)28(23)22-12-10-9-11-21(22)27(31)33-28/h9-18H,5-8H2,1-4H3


name: Strychnine phosphate
cas: 509-42-2
formula: C21H22N2O2.H3O4P
inchikey: VNIVZTFZIJTNDV-ZEYGOCRCSA-N
norman_susdat_id: NS00080373
smiles: OP(O)(=O)O.O=C1C[C@@H]2OC\C=C5\CN3CC[C@]64c7ccccc7N1[C@H]6[C@H]2[C@H]5C[C@H]34
inchi:
InChI=1/C21H22N2O2.H3O4P/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;(H3,1,2,3,4)


name: Methyldihydromorphine [INN:DCF]
cas: 509-56-8
dtxsid: DTXSID10198922
formula: C18H23NO3
inchikey: NBKVWIJQJMEQLE-NGTWOADLSA-N
norman_susdat_id: NS00067974
smiles: CN1CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@@H]1[C@@H]2CC[C@]4(C)O)=C35
inchi:
InChI=1S/C18H23NO3/c1-17(21)6-5-11-12-9-10-3-4-13(20)15-14(10)18(11,16(17)22-15)7-8-19(12)2/h3-4,11-12,16,20-21H,5-9H2,1-2H3/t11-,12+,16-,17-,18-/m0/s1


name: Dihydromorphine
cas: 509-60-4
chebiid: CHEBI:4575
chemspiderid: 4514282
dtxsid: DTXSID7048908
formula: C17H21N1O3
inchikey: IJVCSMSMFSCRME-KBQPJGBKSA-N
norman_susdat_id: NS00001103
pubchem_cid: 5359421
smiles: CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3CC[C@@H]4O)ccc5O
inchi:
InChI=1S/C17H21NO3/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/h2,4,10-11,13,16,19-20H,3,5-8H2,1H3/t10-,11+,13-,16-,17-/m0/s1


name: (5a,6ß)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol
cas: 509-64-8
formula: C18H21NO3
inchikey: OROGSEYTTFOCAN-KEMUOJQUSA-N
norman_susdat_id: NS00080708
smiles: COc1ccc2C[C@@H]3[C@@H]4C=C[C@@H](O)[C@@H]5Oc1c2[C@]45CCN3C
inchi:
InChI=1/C18H21NO3/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/h3-6,11-13,17,20H,7-9H2,1-2H3


name: Pholcodine
cas: 509-67-1
chemspiderid: 454729
dtxsid: DTXSID70198923
formula: C23H30N2O4
inchikey: GPFAJKDEDBRFOS-UHFFFAOYSA-N
norman_susdat_id: NS00002171
pubchem_cid: 521308
smiles: CN1CCC23C4Oc5c2c(CC1C3C=CC4O)ccc5OCCN1CCOCC1
inchi:
InChI=1S/C23H30N2O4/c1-24-7-6-23-16-3-4-18(26)22(23)29-21-19(5-2-15(20(21)23)14-17(16)24)28-13-10-25-8-11-27-12-9-25/h2-5,16-18,22,26H,6-14H2,1H3


name: Methadyl acetate
cas: 509-74-0
chebiid: CHEBI:135491
dtxsid: DTXSID2023274
formula: C23H31NO2
inchikey: XBMIVRRWGCYBTQ-UHFFFAOYSA-N
norman_susdat_id: NS00067937
smiles: CCC(OC(C)=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
inchi:
InChI=1/C23H31NO2/c1-6-22(26-19(3)25)23(17-18(2)24(4)5,20-13-9-7-10-14-20)21-15-11-8-12-16-21/h7-16,18,22H,6,17H2,1-5H3


name: 1(3H)-Isobenzofuranone, 3,3-bis(4-aminophenyl)-
cas: 509-77-3
chemspiderid: 61490
dtxsid: DTXSID5060148
formula: C20H16N2O2
inchikey: PLYHMRQAXIKUIV-UHFFFAOYSA-N
norman_susdat_id: NS00032178
pubchem_cid: 68183
smiles: Nc1ccc(cc1)C1(OC(=O)c2c1cccc2)c1ccc(N)cc1
inchi:
InChI=1S/C20H16N2O2/c21-15-9-5-13(6-10-15)20(14-7-11-16(22)12-8-14)18-4-2-1-3-17(18)19(23)24-20/h1-12H,21-22H2


name: Dimenoxadol
cas: 509-78-4
chebiid: CHEBI:135396
dtxsid: DTXSID5057759
formula: C20H25NO3
inchikey: RHUWRJWFHUKVED-UHFFFAOYSA-N
norman_susdat_id: NS00067951
smiles: CCOC(C(=O)OCCN(C)C)(C1=CC=CC=C1)C1=CC=CC=C1
inchi:
InChI=1S/C20H25NO3/c1-4-24-20(17-11-7-5-8-12-17,18-13-9-6-10-14-18)19(22)23-16-15-21(2)3/h5-14H,4,15-16H2,1-3H3


name: Mitraphylline
cas: 509-80-8
chebiid: CHEBI:6957
chemspiderid: 84977
dtxsid: DTXSID50198926
formula: C21H24N2O4
inchikey: JMIAZDVHNCCPDM-DAFCLMLCSA-N
norman_susdat_id: NS00032179
pubchem_cid: 94160
smiles: COC(=O)C1=CO[C@@H](C)[C@H]2CN3CC[C@@]4([C@@H]3C[C@H]12)C(=O)Nc1c4cccc1
inchi:
InChI=1S/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)/t12-,13-,14+,18-,21+/m0/s1


name: Heptabarbital
cas: 509-86-4
chebiid: CHEBI:81297
chemspiderid: 10081
dtxsid: DTXSID10198927
formula: C13H18N2O3
inchikey: PAZQYDJGLKSCSI-UHFFFAOYSA-N
norman_susdat_id: NS00009770
pubchem_cid: 10518
smiles: CCC1(C(=O)NC(=O)NC1=O)C1=CCCCCC1
inchi:
InChI=1S/C13H18N2O3/c1-2-13(9-7-5-3-4-6-8-9)10(16)14-12(18)15-11(13)17/h7H,2-6,8H2,1H3,(H2,14,15,16,17,18)


name: AMBROSIN
cas: 509-93-3
chebiid: CHEBI:2629
chemspiderid: 83165
dtxsid: DTXSID60877831
formula: C15H18O3
inchikey: IFXGCKRDLITNAU-JHSUYXJUSA-N
norman_susdat_id: NS00094762
pubchem_cid: 92119
smiles: C[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)[C@@]2(C)[C@H]1C=CC2=O
inchi:
InChI=1S/C15H18O3/c1-8-4-5-10-9(2)14(17)18-13(10)15(3)11(8)6-7-12(15)16/h6-8,10-11,13H,2,4-5H2,1,3H3/t8-,10-,11-,13+,15-/m0/s1


cas: 50905-71-0
dtxsid: DTXSID40965164
formula: C21H20N5OS
inchikey: WBQPLFDPSZNURW-UHFFFAOYSA-L
norman_susdat_id: NS00057023
pubchem_cid: NA
name:
Bis[3-(3-amino-3-oxopropyl)-2-[(1-methyl-2-phenyl-1H-indol-3-yl)azo]thiazolium] tetrachlorozincate(2-)

inchi:
InChI=1/2C21H19N5OS.4ClH.Zn/c2*1-25-17-10-6-5-9-16(17)19(20(25)15-7-3-2-4-8-15)23-24-21-26(13-14-28-21)12-11-18(22)27;;;;;/h2*2-10,13-14H,11-12H2,1H3,(H-,22,27);4*1H;/q;;;;;;+2/p-2/r2C21H19N5OS.Cl4Zn/c2*1-25-17-10-6-5-9-16(17)19(20(25)15-7-3-2-4-8-15)23-24-21-26(13-14-28-21)12-11-18(22)27;1-5(2,3)4/h2*2-10,13-14H,11-12H2,1H3,(H-,22,27);/q;;-2/p+2

smiles:
O=C(N)CC[N+]=1C=CSC1N=NC=2C=3C=CC=CC3N(C2C=4C=CC=CC4)C.O=C(N)CC[N+]=1C=CSC1N=NC=2C=3C=CC=CC3N(C2C=4C=CC=CC4)C.Cl[Zn-2](Cl)(Cl)Cl


name: 1,4a,5,6,7,7a-hexahydro-5,7-dihydroxy-7-methylcyclopenta[c]pyran-1-yl-ß-D-glucopyranoside
cas: 50906-66-6
dtxsid: DTXSID20965167
formula: C15H24O9
inchikey: QEUFQRKTFMQBDN-KEECQJAZSA-N
norman_susdat_id: NS00057024
pubchem_cid: NA
smiles: [O-]C1OC(CO)C(O)C(O)C1OC2OC=CC3C(O)CC(O)(C)C23
inchi:
InChI=1/C15H23O9/c1-15(21)4-7(17)6-2-3-22-14(9(6)15)24-12-11(19)10(18)8(5-16)23-13(12)20/h2-3,6-14,16-19,21H,4-5H2,1H3/q-1


cas: 509072-42-8
dtxsid: DTXSID40882660
norman_susdat_id: NS00110291
name:
Copolymer of methyl perfluoro-3-(1-methyl-2-vinyloxyethoxy)propanoate and perfluoroethene (having 1,000 or more of number average molecular weight also insoluble in water, fat-soluble solvent, universally applicable solvent, acid and alkali)


cas: 509086-57-1
dtxsid: DTXSID10882733
norman_susdat_id: NS00109260
name:
Reaction product of potassium acrylate with 1-perfluoro[n-alkyl(C6,8,10,12,14,16,18)]-2-iodoethane, it consists predominantly of 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecyl acrylate


name: 1-(3-Hydroxypropyl)-2-[(3-Nitrobenzoyl)amino]-1h-Benzimidazol-5-Yl Pivalate
cas: 509093-60-1
dtxsid: DTXSID30475262
formula: C22H24N4O6
inchikey: CEAYRKIZESVQSN-UHFFFAOYSA-N
norman_susdat_id: NS00071426
pubchem_cid: 11987888
smiles: CC(C)(C)C(=O)Oc1ccc2c(c1)nc(NC(=O)c1cccc([N+](=O)[O-])c1)n2CCCO
inchi:
InChI=1S/C22H24N4O6/c1-22(2,3)20(29)32-16-8-9-18-17(13-16)23-21(25(18)10-5-11-27)24-19(28)14-6-4-7-15(12-14)26(30)31/h4,6-9,12-13,27H,5,10-11H2,1-3H3,(H,23,24,28)


name: Calcium 4-dodecylphenolate
cas: 50910-68-4
formula: C18H30O.1/2Ca
inchikey: JPOLXALETSGQNT-UHFFFAOYSA-L
norman_susdat_id: NS00089096
smiles: [Ca+2].CCCCCCCCCCCCc1ccc([O-])cc1.CCCCCCCCCCCCc2ccc([O-])cc2
inchi:
InChI=1/2C18H30O.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(19)16-14-17;/h2*13-16,19H,2-12H2,1H3;/q;;+2/p-2


cas: 50925-42-3
dtxsid: DTXSID20889753
formula: C39H34N10O13S4
inchikey: YYRIJHSNZXZKJD-UHFFFAOYSA-J
norman_susdat_id: NS00057067
pubchem_cid: NA
name:
Tetrasodium 3,3'-[[6-[(2-hydroxyethyl)amino]-1,3,5-triazine-2,4-diyl]bis[imino(2-methyl-4,1-phenylene)azo]]bisnaphthalene-1,5-disulphonate

inchi:
InChI=1/C39H34N10O13S4.4Na/c1-21-15-23(9-11-31(21)48-46-25-17-29-27(35(19-25)65(57,58)59)5-3-7-33(29)63(51,52)53)41-38-43-37(40-13-14-50)44-39(45-38)42-24-10-12-32(22(2)16-24)49-47-26-18-30-28(36(20-26)66(60,61)62)6-4-8-34(30)64(54,55)56;;;;/h3-12,15-20,50H,13-14H2,1-2H3,(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H3,40,41,42,43,44,45);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=CC=2C1=CC(N=NC3=CC=C(C=C3C)NC=4N=C(N=C(N4)NCCO)NC5=CC=C(N=NC=6C=C7C(C=CC=C7S(=O)(=O)[O-])=C(C6)S(=O)(=O)[O-])C(=C5)C)=CC2S(=O)(=O)[O-]


name: 4-(ethyl(2-methoxyethyl)ammonio)-o-toluidinium di(toluene-4-sulphonate)
cas: 50928-80-8
formula: C12H20N2O.2C7H8O3S
inchikey: ILKZXYARHQNMEF-UHFFFAOYSA-N
norman_susdat_id: NS00088420
smiles: CC[NH+](CCOC)c1ccc([NH3+])c(C)c1.Cc2ccc(cc2)S(=O)(=O)[O-].Cc3ccc(cc3)S(=O)(=O)[O-]
inchi:
InChI=1/C12H20N2O.2C7H8O3S/c1-4-14(7-8-15-3)11-5-6-12(13)10(2)9-11;2*1-6-2-4-7(5-3-6)11(8,9)10/h5-6,9H,4,7-8,13H2,1-3H3;2*2-5H,1H3,(H,8,9,10)


name: 3-(isopropyl)-1H-2,1,3-benzothiadiazin-4(3H)-one 2,2-dioxide, compound with dimethylamine (1:1)
cas: 50930-44-4
formula: C10H12N2O3S.C2H7N
inchikey: MYSPVTCSNUEPHX-UHFFFAOYSA-N
norman_susdat_id: NS00088678
smiles: CNC.CC(C)N1C(=O)c2ccccc2NS1(=O)=O
inchi:
InChI=1/C10H12N2O3S.C2H7N/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;1-3-2/h3-7,11H,1-2H3;3H,1-2H3


name: Hexadeca-7,11-dienyl acetate
cas: 50933-33-0
formula: C18H32O2
inchikey: BXJHOKLLMOYSRQ-UHFFFAOYSA-N
norman_susdat_id: NS00088679
smiles: CC(=O)OCCCCCCC=CCCC=CCCCC
inchi:
InChI=1/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h6-7,10-11H,3-5,8-9,12-17H2,1-2H3


name: Delvomycin
cas: 50935-71-2
chemspiderid: 4883396
formula: C43H60N2O12
inchikey: HMSYAPGFKGSXAJ-PAHGNTJYSA-N
norman_susdat_id: NS00011805
pubchem_cid: NA
inchi:
InChI=1S/C43H60N2O12/c1-9-11-13-21-31-42(6,7)38(50)39(51)43(54,57-31)28(10-2)40(52)44-23-17-16-19-26(4)36(55-8)27(5)37-35(49)34(48)30(56-37)20-15-12-14-18-25(3)33(47)32-29(46)22-24-45-41(32)53/h9,11-22,24,27-28,30-31,34-39,48-51,54H,10,23H2,1-8H3,(H,44,52)(H2,45,46,53)/b11-9-,14-12+,17-16+,20-15+,21-13+,25-18+,26-19+/t27-,28-,30-,31+,34+,35+,36-,37+,38+,39-,43-/m1/s1

smiles:
CC[C@H](C(=O)NC/C=C/C=C(C)/[C@H]([C@@H](C)[C@H]1[C@H]([C@H]([C@H](O1)/C=C/C=C/C=C(C)/C(=O)c2c(=O)cc[nH]c2O)O)O)OC)[C@@]3([C@@H]([C@@H](C([C@@H](O3)/C=C/C=CC)(C)C)O)O)O


cas: 50937-96-7
dtxsid: DTXSID50882954
norman_susdat_id: NS00110659
name:
2-Propenoic acid, esters, 2-methyl-, 2-[[(heptadecafluorooctyl)sulfonyl]methylamino]ethyl ester, polymer with butyl 2-propenoate


name: DISODIUM LAURYL PHOSPHATE
cas: 50957-96-5
chemspiderid: 68325
formula: C12H27O4P1
inchikey: TVACALAUIQMRDF-UHFFFAOYSA-N
norman_susdat_id: NS00013623
pubchem_cid: 75816
smiles: [Na+].[Na+].CCCCCCCCCCCCO[P]([O-])([O-])=O
inchi:
InChI=1S/C12H27O4P.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-16-17(13,14)15;;/h2-12H2,1H3,(H2,13,14,15);;/q;2*+1/p-2


name: (S)-(-)-Canadine
cas: 5096-57-1
chebiid: CHEBI:16592
chemspiderid: 19910
dtxsid: DTXSID10110003
formula: C20H21N1O4
inchikey: VZTUIEROBZXUFA-INIZCTEOSA-N
norman_susdat_id: NS00032174
pubchem_cid: 21171
smiles: COc1c(OC)c2c(C[C@@H]3N(CCc4c3cc3OCOc3c4)C2)cc1
inchi:
InChI=1S/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3/t16-/m0/s1


name: Annotine
cas: 5096-59-3
chebiid: CHEBI:2743
chemspiderid: 390902
dtxsid: DTXSID30331834
formula: C16H21NO3
inchikey: AAZRLGLWPJJDGC-KPYWPBPJSA-N
norman_susdat_id: NS00094681
pubchem_cid: 442468
smiles: CC12C[C@@]34[C@@H]5CCCN3CC=C[C@]4(O)[C@@H]1C[C@H]5OC2=O
inchi:
InChI=1S/C16H21NO3/c1-14-9-15-10-4-2-6-17(15)7-3-5-16(15,19)12(14)8-11(10)20-13(14)18/h3,5,10-12,19H,2,4,6-9H2,1H3/t10-,11-,12-,14?,15+,16+/m1/s1


name: (-)-Aricine
cas: 5096-87-7
chemspiderid: 65264
dtxsid: DTXSID80275719
formula: C22H26N2O4
inchikey: KXEMQEGRZWUKJS-RURTYGRKSA-N
norman_susdat_id: NS00094811
pubchem_cid: 72313
smiles: COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCC4=C(NC5=C4C=CC(OC)=C5)[C@@H]3C[C@H]12
inchi:
InChI=1S/C22H26N2O4/c1-12-17-10-24-7-6-15-14-5-4-13(26-2)8-19(14)23-21(15)20(24)9-16(17)18(11-28-12)22(25)27-3/h4-5,8,11-12,16-17,20,23H,6-7,9-10H2,1-3H3/t12-,16-,17-,20-/m0/s1


name: Acetamide, N-[2-[(2-cyano-4,6-dinitrophenyl)azo]-5-[ethyl(phenylmethyl)amino]phenyl]-
cas: 50963-62-7
chemspiderid: 149448
dtxsid: DTXSID0068600
formula: C24H21N7O5
inchikey: HLEPAQNRQXSUEC-UHFFFAOYSA-N
norman_susdat_id: NS00032173
pubchem_cid: 170943
smiles: CCN(Cc1ccccc1)c1cc(NC(=O)C)c(cc1)N=Nc1c(cc(cc1C#N)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C24H21N7O5/c1-3-29(15-17-7-5-4-6-8-17)19-9-10-21(22(12-19)26-16(2)32)27-28-24-18(14-25)11-20(30(33)34)13-23(24)31(35)36/h4-13H,3,15H2,1-2H3,(H,26,32)/b28-27+


name: Bacampicillin
cas: 50972-17-3
chemspiderid: 36439
dtxsid: DTXSID2048030
formula: C21H27N3O7S1
inchikey: PFOLLRNADZZWEX-RLBCCXKESA-N
norman_susdat_id: NS00009109
pubchem_cid: 39849
smiles: CCOC(=O)OC(C)OC(=O)[C@@H]1N2[C@H](SC1(C)C)C(NC(=O)[C@H](N)c1ccccc1)C2=O
inchi:
InChI=1S/C21H27N3O7S/c1-5-29-20(28)31-11(2)30-19(27)15-21(3,4)32-18-14(17(26)24(15)18)23-16(25)13(22)12-9-7-6-8-10-12/h6-11,13-15,18H,5,22H2,1-4H3,(H,23,25)/t11?,13-,14?,15+,18-/m1/s1


name: Dodecylpentadecyl acrylate
cas: 50972-56-0
dtxsid: DTXSID40965240
formula: C30H58O2
inchikey: UTMCSDLQVRFUET-UHFFFAOYSA-N
norman_susdat_id: NS00056565
pubchem_cid: 3016576
smiles: O=C(OC(CCCCCCCCCCCC)CCCCCCCCCCCCCC)C=C
inchi:
InChI=1/C30H58O2/c1-4-7-9-11-13-15-17-18-20-22-24-26-28-29(32-30(31)6-3)27-25-23-21-19-16-14-12-10-8-5-2/h6,29H,3-5,7-28H2,1-2H3


name: (hexadecyl)icosyl acrylate
cas: 50972-58-2
dtxsid: DTXSID00965241
formula: C83H164O2
inchikey: IBUMSYNBYGTDMM-UHFFFAOYSA-N
norman_susdat_id: NS00056583
pubchem_cid: NA
inchi:
InChI=1/C83H164O2/c1-9-17-24-31-38-45-46-47-48-49-50-51-54-61-68-75-81(73-66-59-52-39-32-25-18-10-2,74-67-60-53-40-33-26-19-11-3)82(76-69-62-55-41-34-27-20-12-4,77-70-63-56-42-35-28-21-13-5)83(85-80(84)16-8,78-71-64-57-43-36-29-22-14-6)79-72-65-58-44-37-30-23-15-7/h16H,8-15,17-79H2,1-7H3

smiles:
O=C(OC(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)CCCCCCCCCCCCCCCCC)C=C


name: Sodium 6-aminonaphthalene-1,3-disulphonate
cas: 50976-35-7
formula: C10H9NO6S2.2Na
inchikey: YKOUFOHKVHDKRS-UHFFFAOYSA-L
norman_susdat_id: NS00088680
smiles: [Na+].[Na+].Nc1ccc2c(cc(cc2c1)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H9NO6S2.2Na/c11-7-1-2-9-6(3-7)4-8(18(12,13)14)5-10(9)19(15,16)17;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2


cas: 50978-79-5
formula: C18H17ClN4O4S
inchikey: ZPRGZCDOVOUNJZ-UHFFFAOYSA-N
norman_susdat_id: NS00057921
pubchem_cid: 3016581
smiles: O=C1N(N=C(C)C1N=NC2=CC(=CC=C2O)S(=O)(=O)CC)C=3C=CC=C(Cl)C3
name:
2-(3-chlorophenyl)-4-[[5-(ethylsulphonyl)-2-hydroxyphenyl]azo]-2,4-dihydro-5-methyl-3H-pyrazol-3-one

inchi:
InChI=1/C18H17ClN4O4S/c1-3-28(26,27)14-7-8-16(24)15(10-14)20-21-17-11(2)22-23(18(17)25)13-6-4-5-12(19)9-13/h4-10,17,24H,3H2,1-2H3


cas: 50978-80-8
formula: C33H22ClN9O12S4
inchikey: LWQGDVCHDQAPLU-UHFFFAOYSA-N
norman_susdat_id: NS00056994
pubchem_cid: NA
name:
5-[[4-[[4-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-7-sulpho-1-naphthyl)azo]-1-naphthyl]azo]naphthalene-1,3,6-trisulphonic acid

inchi:
InChI=1/C33H22ClN9O12S4/c34-31-37-32(35)39-33(38-31)36-24-8-9-27(22-13-16(56(44,45)46)5-6-20(22)24)41-40-25-10-11-26(19-4-2-1-3-18(19)25)42-43-30-23-14-17(57(47,48)49)15-29(59(53,54)55)21(23)7-12-28(30)58(50,51)52/h1-15H,(H,44,45,46)(H,47,48,49)(H,50,51,52)(H,53,54,55)(H3,35,36,37,38,39)

smiles:
O=S(=O)(O)C=1C=CC=2C(=CC=C(N=NC3=CC=C(N=NC4=C5C=C(C=C(C5=CC=C4S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C=6C=CC=CC36)C2C1)NC=7N=C(Cl)N=C(N7)N


name: C.I. Solvent Red 2
cas: 5098-94-2
chemspiderid: 21172115
dtxsid: DTXSID8041741
formula: C17H14N2O1
inchikey: PYFMJAMMVDSYFT-VHEBQXMUSA-N
norman_susdat_id: NS00021180
pubchem_cid: NA
smiles: Cc1ccccc1N/N=C/1C=CC(=O)c2ccccc12
inchi:
InChI=1S/C17H14N2O/c1-12-6-2-5-9-15(12)18-19-16-10-11-17(20)14-8-4-3-7-13(14)16/h2-11,18H,1H3/b19-16+


name: 2,2'-[sulphonylbis(phenyleneoxymethylene)]dioxirane
cas: 50984-75-3
formula: C18H18O6S
inchikey: LAKSJLHARNUPKV-UHFFFAOYSA-N
norman_susdat_id: NS00056995
pubchem_cid: 76871838
smiles: O=S(=O)(C=1C=CC=CC1OCC2OC2)C=3C=CC=CC3OCC4OC4
inchi:
InChI=1/C18H18O6S/c19-25(20,17-7-3-1-5-15(17)23-11-13-9-21-13)18-8-4-2-6-16(18)24-12-14-10-22-14/h1-8,13-14H,9-12H2


name: 3,3-Bis(4-hydroxy-2,5-xylyl)phthalide
cas: 50984-88-8
chemspiderid: 546155
dtxsid: DTXSID90198985
formula: C24H22O4
inchikey: PXCIPOXPHMTCIL-UHFFFAOYSA-N
norman_susdat_id: NS00032181
pubchem_cid: 628858
smiles: Cc1cc(c(C)cc1O)C1(OC(=O)c2c1cccc2)c1c(C)cc(O)c(C)c1
inchi:
InChI=1S/C24H22O4/c1-13-11-21(25)15(3)9-19(13)24(20-10-16(4)22(26)12-14(20)2)18-8-6-5-7-17(18)23(27)28-24/h5-12,25-26H,1-4H3


name: 2,2'-[(octahydro-4,7-methano-1H-indenediyl)bis(methyleneoxymethylene)]dioxirane
cas: 50985-55-2
formula: C18H28O4
inchikey: NAKUEGXKNSDYGY-UHFFFAOYSA-N
norman_susdat_id: NS00056996
pubchem_cid: 76871839
smiles: O(CC1OC1)CC2(COCC3OC3)CCC4C5CCC(C5)C42
inchi:
InChI=1/C18H28O4/c1-2-13-5-12(1)16-3-4-18(17(13)16,10-19-6-14-8-21-14)11-20-7-15-9-22-15/h12-17H,1-11H2


name: N-(6-Oxo-6H-anthra(9,1-cd)isothiazol-7-yl)acetamide
cas: 50988-01-7
chemspiderid: 4954753
dtxsid: DTXSID50198986
formula: C16H10N2O2S1
inchikey: JNJWDMRFGGSELJ-UHFFFAOYSA-N
norman_susdat_id: NS00032182
pubchem_cid: 6452318
smiles: CC(=O)Nc1c2C(=O)c3c4c(snc4c2ccc1)ccc3
inchi:
InChI=1S/C16H10N2O2S/c1-8(19)17-11-6-2-4-9-13(11)16(20)10-5-3-7-12-14(10)15(9)18-21-12/h2-7H,1H3,(H,17,19)


name: Propanamide, N-(6-oxo-6H-anthra[9,1-cd]isothiazol-7-yl)-
cas: 50988-02-8
chemspiderid: 149455
dtxsid: DTXSID5068605
formula: C17H12N2O2S1
inchikey: AMXYNQQEZKMKJU-UHFFFAOYSA-N
norman_susdat_id: NS00020206
pubchem_cid: 170950
smiles: CCC(=O)Nc1c2C(=O)c3c4c(snc4c2ccc1)ccc3
inchi:
InChI=1S/C17H12N2O2S/c1-2-13(20)18-11-7-3-5-9-14(11)17(21)10-6-4-8-12-15(10)16(9)19-22-12/h3-8H,2H2,1H3,(H,18,20)


name: 6,6'-Methylenebis(4-chloro-2-isopropyl-m-cresol)
cas: 50992-45-5
chemspiderid: 4422089
dtxsid: DTXSID00198991
formula: C21H26Cl2O2
inchikey: GHOQPLKDCJYBIC-UHFFFAOYSA-N
norman_susdat_id: NS00032185
pubchem_cid: 5256061
smiles: CC(C)c1c(C)c(Cl)cc(Cc2c(O)c(C(C)C)c(C)c(Cl)c2)c1O
inchi:
InChI=1S/C21H26Cl2O2/c1-10(2)18-12(5)16(22)8-14(20(18)24)7-15-9-17(23)13(6)19(11(3)4)21(15)25/h8-11,24-25H,7H2,1-6H3


name: 2,2'-Methylenebis(4-chloro-5-isopropyl-m-cresol)
cas: 50992-46-6
chemspiderid: 4954754
dtxsid: DTXSID60198992
formula: C21H26Cl2O2
inchikey: XNZXHUFTLHPYJI-UHFFFAOYSA-N
norman_susdat_id: NS00032186
pubchem_cid: 6452319
smiles: CC(C)c1c(Cl)c(C)c(Cc2c(C)c(Cl)c(cc2O)C(C)C)c(O)c1
inchi:
InChI=1S/C21H26Cl2O2/c1-10(2)14-8-18(24)16(12(5)20(14)22)7-17-13(6)21(23)15(11(3)4)9-19(17)25/h8-11,24-25H,7H2,1-6H3


name: [2-hydroxy-1,1-bis(hydroxymethyl)ethyl]ammonium decyl sulphate
cas: 50996-85-5
formula: C12H26O4S.C4H11NO3
inchikey: GQVPKTHOBIZUCH-UHFFFAOYSA-N
norman_susdat_id: NS00088460
smiles: CCCCCCCCCCOS(=O)(=O)[O-].[NH3+]C(CO)(CO)CO
inchi:
InChI=1/C10H22O4S.C4H11NO3/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;5-4(1-6,2-7)3-8/h2-10H2,1H3,(H,11,12,13);6-8H,1-3,5H2


name: ST073362
cas: 50998-13-5
chemspiderid: 2628120
dtxsid: DTXSID30391978
formula: C12H21N1O9
inchikey: BKZQMWNJESHHSA-UHFFFAOYSA-N
norman_susdat_id: NS00007566
pubchem_cid: 3383006
smiles: COC(=O)C1(O)CC(O)C(NC(C)=O)C(O1)C(O)C(O)CO
inchi:
InChI=1S/C12H21NO9/c1-5(15)13-8-6(16)3-12(20,11(19)21-2)22-10(8)9(18)7(17)4-14/h6-10,14,16-18,20H,3-4H2,1-2H3,(H,13,15)


name: Piperonyl butoxide
cas: 51-03-6
chebiid: CHEBI:32687
chemspiderid: 5590
dtxsid: DTXSID1021166
formula: C19H30O5
inchikey: FIPWRIJSWJWJAI-UHFFFAOYSA-N
norman_susdat_id: NS00011484
pubchem_cid: 5794
smiles: CCCCOCCOCCOCc1cc2OCOc2cc1CCC
inchi:
InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3


name: Procainamide
cas: 51-06-9
chebiid: CHEBI:8428
chemspiderid: 4744
dtxsid: DTXSID7023512
formula: C13H21N3O1
inchikey: REQCZEXYDRLIBE-UHFFFAOYSA-N
norman_susdat_id: NS00001509
pubchem_cid: 4913
smiles: CCN(CC)CCNC(=O)c1ccc(N)cc1
inchi:
InChI=1S/C13H21N3O/c1-3-16(4-2)10-9-15-13(17)11-5-7-12(14)8-6-11/h5-8H,3-4,9-10,14H2,1-2H3,(H,15,17)


name: Nialamide
cas: 51-12-7
chebiid: CHEBI:94510
chemspiderid: 4317
dtxsid: DTXSID1023362
formula: C16H18N4O2
inchikey: NOIIUHRQUVNIDD-UHFFFAOYSA-N
norman_susdat_id: NS00003489
pubchem_cid: 4472
smiles: OC(CCNNC(=O)c1ccncc1)=NCc1ccccc1
inchi:
InChI=1S/C16H18N4O2/c21-15(18-12-13-4-2-1-3-5-13)8-11-19-20-16(22)14-6-9-17-10-7-14/h1-7,9-10,19H,8,11-12H2,(H,18,21)(H,20,22)


name: Tiratricol
cas: 51-24-1
chemspiderid: 5598
dtxsid: DTXSID2045232
formula: C14H9I3O4
inchikey: UOWZUVNAGUAEQC-UHFFFAOYSA-N
norman_susdat_id: NS00015686
pubchem_cid: 5803
smiles: C1=CC(=C(C=C1OC2=C(C=C(C=C2I)CC(=O)O)I)I)O
inchi:
InChI=1S/C14H9I3O4/c15-9-6-8(1-2-12(9)18)21-14-10(16)3-7(4-11(14)17)5-13(19)20/h1-4,6,18H,5H2,(H,19,20)


name: Scopolamine
cas: 51-34-3
chemspiderid: 135128
dtxsid: DTXSID6023573
formula: C17H21N1O4
inchikey: STECJAGHUSJQJN-MKXJHAPZSA-N
norman_susdat_id: NS00001110
pubchem_cid: 153311
smiles: CN1[C@H]2CC(C[C@@H]1C1OC21)OC(=O)[C@H](CO)c1ccccc1
inchi:
InChI=1S/C17H21NO4/c1-18-13-7-11(8-14(18)16-15(13)22-16)21-17(20)12(9-19)10-5-3-2-4-6-10/h2-6,11-16,19H,7-9H2,1H3/t11?,12-,13-,14+,15?,16?/m1/s1


name: Norepinephrine hydrogen tartrate
cas: 51-40-1
formula: C8H11NO3.C4H6O6
inchikey: WNPNNLQNNJQYFA-QRPNPIFTSA-N
norman_susdat_id: NS00079102
smiles: Oc1ccc(cc1O)[C@@H](O)CN.OC(=O)C(O)C(O)C(O)=O
inchi:
InChI=1/C8H11NO3.C4H6O6/c9-4-8(12)5-1-2-6(10)7(11)3-5;5-1(3(7)8)2(6)4(9)10/h1-3,8,10-12H,4,9H2;1-2,5-6H,(H,7,8)(H,9,10)


name: Epinephrine hydrogen tartrate
cas: 51-42-3
formula: C9H13NO3.C4H6O6
inchikey: YLXIPWWIOISBDD-FVGYRXGTSA-N
norman_susdat_id: NS00078970
smiles: CNC[C@H](O)c1ccc(O)c(O)c1.OC(C(O)C(=O)O)C(=O)O
inchi:
InChI=1/C9H13NO3.C4H6O6/c1-10-5-9(13)6-2-3-7(11)8(12)4-6;5-1(3(7)8)2(6)4(9)10/h2-4,9-13H,5H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)


name: L-Thyroxine
cas: 51-48-9
chebiid: CHEBI:58448
dtxsid: DTXSID8023214
formula: C15H11I4NO4
inchikey: XUIIKFGFIJCVMT-LBPRGKRZSA-N
norman_susdat_id: NS00067050
smiles: N[C@@H](CC1=CC(I)=C(OC2=CC(I)=C(O)C(I)=C2)C(I)=C1)C(O)=O
inchi:
InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m0/s1


name: Dextrothyroxine
cas: 51-49-0
chebiid: CHEBI:30659
chemspiderid: 8402
dtxsid: DTXSID60199000
formula: C15H11I4N1O4
inchikey: XUIIKFGFIJCVMT-GFCCVEGCSA-N
norman_susdat_id: NS00008737
pubchem_cid: 90657408
smiles: N[C@H](Cc1cc(I)c(Oc2cc(I)c(O)c(I)c2)c(I)c1)C(O)=O
inchi:
InChI=1S/C15H11I4NO4/c16-8-4-7(5-9(17)13(8)21)24-14-10(18)1-6(2-11(14)19)3-12(20)15(22)23/h1-2,4-5,12,21H,3,20H2,(H,22,23)/t12-/m1/s1


name: Atropine
cas: 51-55-8
chebiid: CHEBI:104243
chemspiderid: 3534
dtxsid: DTXSID4020113
formula: C17H23N1O3
inchikey: RKUNBYITZUJHSG-UHFFFAOYSA-N
norman_susdat_id: NS00008542
pubchem_cid: 3661
smiles: CN1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
inchi:
InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3


name: Homatropine hydrobromide
cas: 51-56-9
formula: C16H21NO3.BrH
inchikey: DWSGTFTVBLXELC-RDYJJYPNSA-N
norman_susdat_id: NS00078971
smiles: Br.CN1[C@@H]2CC[C@H]1C[C@H](C2)OC(=O)C(O)c3ccccc3
inchi:
InChI=1/C16H21NO3.BrH/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11;/h2-6,12-15,18H,7-10H2,1H3;1H


name: Neostigmine methylsulfate
cas: 51-60-5
chebiid: CHEBI:7516
dtxsid: DTXSID40199003
formula: C13H22N2O6S
inchikey: OSZNNLWOYWAHSS-UHFFFAOYSA-M
norman_susdat_id: NS00076290
smiles: COS([O-])(=O)=O.CN(C)C(=O)OC1=CC=CC(=C1)[N+](C)(C)C
inchi:
InChI=1S/C12H19N2O2.CH4O4S/c1-13(2)12(15)16-11-8-6-7-10(9-11)14(3,4)5;1-5-6(2,3)4/h6-9H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1


name: Gefarnate
cas: 51-77-4
chebiid: CHEBI:31646
chemspiderid: 4445377
dtxsid: DTXSID0048636
formula: C27H44O2
inchikey: ZPACYDRSPFRDHO-ROBAGEODSA-N
norman_susdat_id: NS00022279
pubchem_cid: 5282182
smiles: CC(=CCC/C(=C/CC/C(=C/CCC(=O)OC/C=C(C)/CCC=C(C)C)/C)/C)C
inchi:
InChI=1S/C27H44O2/c1-22(2)12-8-14-24(5)16-10-17-25(6)18-11-19-27(28)29-21-20-26(7)15-9-13-23(3)4/h12-13,16,18,20H,8-11,14-15,17,19,21H2,1-7H3/b24-16+,25-18+,26-20+


name: Norethindrone acetate
cas: 51-98-9
chebiid: CHEBI:7628
chemspiderid: 5627
dtxsid: DTXSID4023381
formula: C22H28O3
inchikey: IMONTRJLAWHYGT-ZCPXKWAGSA-N
norman_susdat_id: NS00010074
pubchem_cid: 5832
smiles: CC(=O)O[C@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C)C#C
inchi:
InChI=1S/C22H28O3/c1-4-22(25-14(2)23)12-10-20-19-7-5-15-13-16(24)6-8-17(15)18(19)9-11-21(20,22)3/h1,13,17-20H,5-12H2,2-3H3/t17-,18+,19+,20-,21-,22-/m0/s1


cas: 510-13-4
chemspiderid: 10084
dtxsid: DTXSID0060149
formula: C23H26N2O1
inchikey: LXHOGENDFZKPSF-UHFFFAOYSA-N
norman_susdat_id: NS00000163
pubchem_cid: 10521
smiles: CN(C)C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=C(C=C3)N(C)C)O
name:
Benzenemethanol, 4-(dimethylamino)-.alpha.-[4-(dimethylamino)phenyl]-.alpha.-phenyl- (Malachite green)

inchi:
InChI=1S/C23H26N2O/c1-24(2)21-14-10-19(11-15-21)23(26,18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4/h5-17,26H,1-4H3


name: (3ß,16a)-3,16-dihydroxyolean-12-en-28-oic acid
cas: 510-30-5
chebiid: CHEBI:4747
dtxsid: DTXSID70965278
formula: C30H48O4
inchikey: YKOPWPOFWMYZJZ-PRIAQAIDSA-N
norman_susdat_id: NS00044018
pubchem_cid: 73309
smiles: O=C(O)C12CCC(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1O
inchi:
InChI=1/C30H48O4/c1-25(2)14-15-30(24(33)34)19(16-25)18-8-9-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,6)29(18,7)17-23(30)32/h8,19-23,31-32H,9-17H2,1-7H3,(H,33,34)


cas: 510-39-4
formula: C24H32O5
inchikey: FEPCMSPFPMPWJK-UHFFFAOYSA-N
norman_susdat_id: NS00043490
pubchem_cid: 306537
smiles: O=C1OC(=O)C2C1C3C(=CC42CCC5C(C(=O)O)(C)CCCC5(C)C4C3)C(C)C
name:
(4a,8a,12a,13R,14R)-16-isopropyl-17,19-dinoratis-15-ene-4,13,14-tricarboxylic acid, cyclic 13,14-anhydride

inchi:
InChI=1/C24H32O5/c1-12(2)14-11-24-9-6-15-22(3,7-5-8-23(15,4)21(27)28)16(24)10-13(14)17-18(24)20(26)29-19(17)25/h11-13,15-18H,5-10H2,1-4H3,(H,27,28)


name: Racemethorphan
cas: 510-53-2
chebiid: CHEBI:146176
dtxsid: DTXSID60872402
formula: C18H25NO
inchikey: MKXZASYAUGDDCJ-CGTJXYLNSA-N
norman_susdat_id: NS00068001
smiles: COC1=CC=C2C[C@@H]3[C@@H]4CCCC[C@]4(CCN3C)C2=C1
inchi:
InChI=1/C18H25NO/c1-19-10-9-18-8-4-3-5-15(18)17(19)11-13-6-7-14(20-2)12-16(13)18/h6-7,12,15,17H,3-5,8-11H2,1-2H3/t15-,17+,18+/s2


name: 19-Hydroxy-4-androstene-3,17-dione
cas: 510-64-5
chebiid: CHEBI:27576
chemspiderid: 6177
dtxsid: DTXSID80199007
formula: C19H26O3
inchikey: XGUHPTGEXRHMQQ-BGJMDTOESA-N
norman_susdat_id: NS00032195
pubchem_cid: 252379
smiles: C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34CO)[C@@H]1CCC2=O
inchi:
InChI=1S/C19H26O3/c1-18-8-7-16-14(15(18)4-5-17(18)22)3-2-12-10-13(21)6-9-19(12,16)11-20/h10,14-16,20H,2-9,11H2,1H3/t14-,15-,16-,18-,19+/m0/s1


name: Gibberellin A7
cas: 510-75-8
chebiid: CHEBI:32903
chemspiderid: 83756
formula: C19H22O5
inchikey: SEEGHKWOBVVBTQ-NFMPGMCNSA-N
norman_susdat_id: NS00015125
pubchem_cid: 92782
smiles: O=C(O)C5C21CC(C(=C)C1)CCC2C34OC(=O)C(C)(C(O)/C=C/3)C45
inchi:
InChI=1S/C19H22O5/c1-9-7-18-8-10(9)3-4-11(18)19-6-5-12(20)17(2,16(23)24-19)14(19)13(18)15(21)22/h5-6,10-14,20H,1,3-4,7-8H2,2H3,(H,21,22)/t10-,11-,12+,13-,14-,17-,18+,19-/m1/s1


name: Tiapride
cas: 51012-32-9
chebiid: CHEBI:94666
chemspiderid: 5268
dtxsid: DTXSID0023664
formula: C15H24N2O4S1
inchikey: JTVPZMFULRWINT-UHFFFAOYSA-N
norman_susdat_id: NS00010477
pubchem_cid: 5467
smiles: CCN(CC)CCNC(=O)C1=C(C=CC(=C1)S(=O)(=O)C)OC
inchi:
InChI=1S/C15H24N2O4S/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18)


name: N-[2-(diethylamino)ethyl]-2-methoxy-5-(methylsulphonyl)benzamide monohydrochloride
cas: 51012-33-0
chebiid: CHEBI:32220
formula: C15H24N2O4S.ClH
inchikey: OTFDPNXIVHBTKW-UHFFFAOYSA-N
norman_susdat_id: NS00089146
smiles: Cl.CCN(CC)CCNC(=O)c1cc(ccc1OC)S(=O)(=O)C
inchi:
InChI=1/C15H24N2O4S.ClH/c1-5-17(6-2)10-9-16-15(18)13-11-12(22(4,19)20)7-8-14(13)21-3;/h7-8,11H,5-6,9-10H2,1-4H3,(H,16,18);1H


cas: 51014-46-1
formula: C15H15N3O6S2
inchikey: YZKJQBUBQFJLMF-UHFFFAOYSA-N
norman_susdat_id: NS00089147
smiles: NC(=O)OCC1=C(N2C(SC1)C(NC(=O)Cc3cccs3)C2=O)C(=O)O
name:
trans-(±)-3-[(carbamoyloxy)methyl]-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

inchi:
InChI=1/C15H15N3O6S2/c16-15(23)24-5-7-6-26-13-10(12(20)18(13)11(7)14(21)22)17-9(19)4-8-2-1-3-25-8/h1-3,10,13H,4-6H2,(H2,16,23)(H,17,19)(H,21,22)


name: 1H-Isoindol-1-one, 3,3'-[(2,5-dichloro-1,4-phenylene)diimino]bis-
cas: 51016-63-8
chemspiderid: 142774
dtxsid: DTXSID5068609
formula: C22H12Cl2N4O2
inchikey: ABRHAPVKULGVAO-UHFFFAOYSA-N
norman_susdat_id: NS00032188
pubchem_cid: 162621
smiles: Clc1cc(NC2=NC(=O)c3c2cccc3)c(Cl)cc1NC1=NC(=O)c2c1cccc2
inchi:
InChI=1S/C22H12Cl2N4O2/c23-15-10-18(26-20-12-6-2-4-8-14(12)22(30)28-20)16(24)9-17(15)25-19-11-5-1-3-7-13(11)21(29)27-19/h1-10H,(H,25,27,29)(H,26,28,30)


name: Perfluorotetradecanedioic acid dihydrazide
cas: 5102-53-4
chemspiderid: NA
dtxsid: DTXSID40880207
formula: C14H6F24N4O2
inchikey: DVGAKXCCCMYSPK-UHFFFAOYSA-N
norman_susdat_id: NS00019101
pubchem_cid: NA
smiles: NNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NN
inchi:
InChI=1S/C14H6F24N4O2/c15-3(16,1(43)41-39)5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)14(37,38)12(33,34)10(29,30)8(25,26)6(21,22)4(17,18)2(44)42-40/h39-40H2,(H,41,43)(H,42,44)


name: 2-(diphenylacetyl)-1H-indene-1,3(2H)-dione 1-hydrazone
cas: 5102-79-4
formula: C23H18N2O2
inchikey: QBGMRRUHCFHZLC-UHFFFAOYSA-N
norman_susdat_id: NS00045330
pubchem_cid: 92993
smiles: O=C1C=2C=CC=CC2C(=NN)C1C(=O)C(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C23H18N2O2/c24-25-21-17-13-7-8-14-18(17)22(26)20(21)23(27)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19-20H,24H2


name: C.I. Pigment Yellow 13
cas: 5102-83-0
chemspiderid: 66158
dtxsid: DTXSID0029268
formula: C36H34Cl2N6O4
inchikey: QWYLRRUZRFYUOL-UHFFFAOYSA-N
norman_susdat_id: NS00006890
pubchem_cid: 73462
smiles: CC(=O)C(N=Nc1ccc(cc1Cl)-c1ccc(N=NC(C(C)=O)C(=O)Nc2ccc(C)cc2C)c(Cl)c1)C(=O)Nc1ccc(C)cc1C
inchi:
InChI=1S/C36H34Cl2N6O4/c1-19-7-11-29(21(3)15-19)39-35(47)33(23(5)45)43-41-31-13-9-25(17-27(31)37)26-10-14-32(28(38)18-26)42-44-34(24(6)46)36(48)40-30-12-8-20(2)16-22(30)4/h7-18,33-34H,1-6H3,(H,39,47)(H,40,48)


name: Amcinonide
cas: 51022-69-6
chemspiderid: 36447
dtxsid: DTXSID6045905
formula: C28H35F1O7
inchikey: ILKJAFIWWBXGDU-WRRBAOOESA-N
norman_susdat_id: NS00005905
pubchem_cid: 39858
smiles: CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1C3CCC4=CC(=O)C=CC4(C)[C@@]3(F)[C@@H](O)CC21C
inchi:
InChI=1S/C28H35FO7/c1-16(30)34-15-22(33)28-23(35-26(36-28)9-4-5-10-26)13-20-19-7-6-17-12-18(31)8-11-24(17,2)27(19,29)21(32)14-25(20,28)3/h8,11-12,19-21,23,32H,4-7,9-10,13-15H2,1-3H3/t19?,20-,21-,23+,24?,25?,27-,28+/m0/s1


name: Bis[(tert-butyl)(ß,3,4-trihydroxyphenethyl)ammonium] sulphate
cas: 51022-70-9
formula: C13H21NO3.1/2H2O4S
inchikey: QJEWQPHCPCRSAP-UHFFFAOYSA-N
norman_susdat_id: NS00088670
smiles: CC(C)(C)[NH2+]CC(O)c1ccc(O)c(O)c1.CC(C)(C)[NH2+]CC(O)c2ccc(O)c(O)c2.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/2C12H19NO3.H2O4S/c2*1-12(2,3)13-7-11(16)8-4-5-9(14)10(15)6-8;1-5(2,3)4/h2*4-6,11,13-16H,7H2,1-3H3;(H2,1,2,3,4)


name: Nabilone
cas: 51022-71-0
dtxsid: DTXSID8023341
formula: C24H36O3
inchikey: GECBBEABIDMGGL-RTBURBONSA-N
norman_susdat_id: NS00067938
smiles: CCCCCCC(C)(C)C1=CC2=C([C@@H]3CC(=O)CC[C@H]3C(C)(C)O2)C(O)=C1
inchi:
InChI=1S/C24H36O3/c1-6-7-8-9-12-23(2,3)16-13-20(26)22-18-15-17(25)10-11-19(18)24(4,5)27-21(22)14-16/h13-14,18-19,26H,6-12,15H2,1-5H3/t18-,19-/m1/s1


name: Biliscopin
cas: 51022-74-3
chebiid: CHEBI:31716
chemspiderid: 3609
dtxsid: DTXSID3048782
formula: C22H18I6N2O9
inchikey: JXMIBUGMYLQZGO-UHFFFAOYSA-N
norman_susdat_id: NS00014342
pubchem_cid: 3740
smiles: OC(=O)c1c(I)cc(I)c(NC(=O)COCCOCCOCC(=O)Nc2c(I)cc(I)c(C(O)=O)c2I)c1I
inchi:
InChI=1S/C22H18I6N2O9/c23-9-5-11(25)19(17(27)15(9)21(33)34)29-13(31)7-38-3-1-37-2-4-39-8-14(32)30-20-12(26)6-10(24)16(18(20)28)22(35)36/h5-6H,1-4,7-8H2,(H,29,31)(H,30,32)(H,33,34)(H,35,36)


name: Disodium 5-acetamido-2-[2-(4-isothiocyanato-2-sulphonatophenyl)vinyl]benzenesulphonate
cas: 51023-76-8
dtxsid: DTXSID80889754
formula: C17H14N2O7S3
inchikey: NPAWAMRXPHRVQY-WTVBWJGASA-L
norman_susdat_id: NS00057062
pubchem_cid: 34025
smiles: [Na+].[Na+].O=C(NC1=CC=C(C=CC2=CC=C(N=C=S)C=C2S(=O)(=O)[O-])C(=C1)S(=O)(=O)[O-])C
inchi:
InChI=1/C17H14N2O7S3.2Na/c1-11(20)19-15-7-5-13(17(9-15)29(24,25)26)3-2-12-4-6-14(18-10-27)8-16(12)28(21,22)23;;/h2-9H,1H3,(H,19,20)(H,21,22,23)(H,24,25,26);;/q;2*+1/p-2


name: Arbekacin
cas: 51025-85-5
chemspiderid: 16736105
dtxsid: DTXSID8048319
formula: C22H44N6O10
inchikey: MKKYBZZTJQGVCD-DGBUGYMQSA-N
norman_susdat_id: NS00011552
pubchem_cid: 20055079
inchi:
InChI=1S/C22H44N6O10/c23-4-3-12(30)20(34)28-11-5-10(26)18(37-21-9(25)2-1-8(6-24)35-21)17(33)19(11)38-22-16(32)14(27)15(31)13(7-29)36-22/h8-19,21-22,29-33H,1-7,23-27H2,(H,28,34)/t8-,9+,10-,11+,12?,13+,14-,15+,16+,17-,18+,19-,21+,22+/m0/s1

smiles:
C1C[C@H]([C@H](O[C@@H]1CN)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)CO)O)N)O)NC(=O)C(CCN)O)N)N


name: Propanenitrile, 3-[[2-(acetyloxy)ethyl][4-[(2-hydroxy-4-nitrophenyl)azo]-3-methylphenyl]amino]-
cas: 51026-47-2
chemspiderid: 7852047
dtxsid: DTXSID9068611
formula: C20H21N5O5
inchikey: NJPMMKHZWZEGKI-UHFFFAOYSA-N
norman_susdat_id: NS00032190
pubchem_cid: NA
smiles: CC(=O)OCCN(CCC#N)c1cc(C)c(N/N=C2/C=CC(=CC2=O)[N+](=O)[O-])cc1
inchi:
InChI=1S/C20H21N5O5/c1-14-12-16(24(9-3-8-21)10-11-30-15(2)26)4-6-18(14)22-23-19-7-5-17(25(28)29)13-20(19)27/h4-7,12-13,22H,3,9-11H2,1-2H3/b23-19-


name: [2,2'-Bi-1H-indene]-1,1',3,3'(2H,2'H)-tetrone, 2,2'-dihydroxy-
cas: 5103-42-4
chemspiderid: 19920
dtxsid: DTXSID8063701
formula: C18H10O6
inchikey: LWFPYLZOVOCBPZ-UHFFFAOYSA-N
norman_susdat_id: NS00032192
pubchem_cid: 21183
smiles: OC1(C(=O)c2c(cccc2)C1=O)C1(O)C(=O)c2c(cccc2)C1=O
inchi:
InChI=1S/C18H10O6/c19-13-9-5-1-2-6-10(9)14(20)17(13,23)18(24)15(21)11-7-3-4-8-12(11)16(18)22/h1-8,23-24H


name: Cis-Chlordane
cas: 5103-71-9
chemspiderid: 23620768
dtxsid: DTXSID6038326
formula: C10H6Cl8
inchikey: BIWJNBZANLAXMG-KMMBHOGFSA-N
norman_susdat_id: NS00066932
pubchem_cid: 1550472
smiles: C1[C@H]2[C@@H]([C@H]([C@H]1Cl)Cl)[C@]3(C(=C([C@@]2(C3(Cl)Cl)Cl)Cl)Cl)Cl
eea_notation: CAS_5103-71-9
inchi:
InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5-,8-,9+/m0/s1


name: Cis-Nonachlor
cas: 5103-73-1
chemspiderid: 52085678
dtxsid: DTXSID40872581
formula: C10H5Cl9
inchikey: OCHOKXCPKDPNQU-KCCZGPNFSA-N
norman_susdat_id: NS00073926
smiles: [H][C@]12[C@H](Cl)[C@H](Cl)[C@H](Cl)[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl
inchi:
InChI=1S/C10H5Cl9/c11-3-1-2(4(12)5(3)13)9(17)7(15)6(14)8(1,16)10(9,18)19/h1-5H/t1-,2+,3+,4-,5+,8+,9-


name: trans-Chlordane
cas: 5103-74-2
chemspiderid: 32818283
dtxsid: DTXSID4038346
formula: C10H6Cl8
inchikey: BIWJNBZANLAXMG-MPPHZFHBSA-N
norman_susdat_id: NS00073906
pubchem_cid: 45356234
smiles: [H][C@]12C[C@@H](Cl)[C@H](Cl)[C@@]1([H])[C@@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl
eea_notation: CAS_5103-74-2
inchi:
InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3+,4-,5-,8-,9+/m0/s1


name: p-Nitrophenyl 5-oxo-L-prolinate
cas: 51031-70-0
chemspiderid: 4954763
dtxsid: DTXSID00199044
formula: C11H10N2O5
inchikey: LULJKDDAVJXNFS-VIFPVBQESA-N
norman_susdat_id: NS00032191
pubchem_cid: 6452328
smiles: [O-][N+](=O)c1ccc(OC(=O)[C@@H]2CCC(=O)N2)cc1
inchi:
InChI=1S/C11H10N2O5/c14-10-6-5-9(12-10)11(15)18-8-3-1-7(2-4-8)13(16)17/h1-4,9H,5-6H2,(H,12,14)/t9-/m0/s1


name: 2-((Perfluorooctyl)sulfonylaminomethyl)benzenesulfonate sodium
cas: 51032-47-4
chemspiderid: 149461
dtxsid: DTXSID20880427
formula: C15H8F17N1O5S2
inchikey: IOKDOGCZVWDSDA-UHFFFAOYSA-N
norman_susdat_id: NS00011429
pubchem_cid: 170959
inchi:
InChI=1S/C15H8F17NO5S2.Na/c16-8(17,10(20,21)12(24,25)14(28,29)30)9(18,19)11(22,23)13(26,27)15(31,32)40(37,38)33-5-6-3-1-2-4-7(6)39(34,35)36;/h1-4,33H,5H2,(H,34,35,36);/q;+1/p-1

smiles:
C1=C(CN[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(=CC=C1)[S]([O-])(=O)=O.[Na+]


cas: 51033-46-6
dtxsid: DTXSID50965312
formula: C34H28O10
inchikey: LCNSWZDZNPDLFP-UHFFFAOYSA-N
norman_susdat_id: NS00057968
pubchem_cid: NA
smiles: O=C1C=C2OC=3C(C=C2C=C1O)=C4C(OC)=C(O)C(OC)=CC4=C(C=5C=CC(O)=CC5OC)C3CC6=CC=C(O)C(OC)=C6
name:
2,10-dihydroxy-5-(4-hydroxy-2-methoxyphenyl)-6-[(4-hydroxy-3-methoxyphenyl)methyl]-1,3-dimethoxy-9H-benzo[a]xanthen-9-one

inchi:
InChI=1/C34H28O10/c1-40-27-13-18(35)6-7-19(27)30-20-14-29(42-3)32(39)34(43-4)31(20)22-11-17-12-24(37)25(38)15-26(17)44-33(22)21(30)9-16-5-8-23(36)28(10-16)41-2/h5-8,10-15,35-37,39H,9H2,1-4H3


name: 2'-azido-2'-deoxycytidine
cas: 51034-68-5
dtxsid: DTXSID70965314
formula: C9H13N6O4
inchikey: FEOYKPQEERVCAV-RNMRRNDGSA-N
norman_susdat_id: NS00057063
pubchem_cid: 21116908
smiles: [N-]=[N+]=NC1C(O)C(OC1N2C=CC(=NC2=O)N)CO
inchi:
InChI=1/C9H12N6O4/c10-5-1-2-15(9(18)12-5)8-6(13-14-11)7(17)4(3-16)19-8/h1-2,4,6-8,16-17H,3H2,(H2,10,12,18)


name: 4'-fluoro-2-hydroxy-4-(4-phenylpiperazin-1-yl)butyrophenone
cas: 51037-47-9
dtxsid: DTXSID50965317
formula: C20H23FN2O2
inchikey: DTQPKKCVUDORIM-UHFFFAOYSA-N
norman_susdat_id: NS00057137
pubchem_cid: 39881
smiles: O=C(C1=CC=C(F)C=C1)C(O)CCN2CCN(C=3C=CC=CC3)CC2
inchi:
InChI=1/C20H23FN2O2/c21-17-8-6-16(7-9-17)20(25)19(24)10-11-22-12-14-23(15-13-22)18-4-2-1-3-5-18/h1-9,19,24H,10-15H2


name: 4'-chloro-2-hydroxy-4-(4-phenylpiperazine-1-yl)butyrophenone
cas: 51037-53-7
dtxsid: DTXSID80965320
formula: C20H23ClN2O2
inchikey: VQHXPTDVTYMBEE-UHFFFAOYSA-N
norman_susdat_id: NS00057138
pubchem_cid: 3050406
smiles: O=C(C1=CC=C(Cl)C=C1)C(O)CCN2CCN(C=3C=CC=CC3)CC2
inchi:
InChI=1/C20H23ClN2O2/c21-17-8-6-16(7-9-17)20(25)19(24)10-11-22-12-14-23(15-13-22)18-4-2-1-3-5-18/h1-9,19,24H,10-15H2


name: Titanium octadecan-1-olate
cas: 51040-26-7
formula: C18H38O.xTi
inchi: InChI=1/8C10H21O.4Ti/c8*1-2-3-4-5-6-7-8-9-10-11;;;;/h8*2-10H2,1H3;;;;/q8*-1;4*+2
inchikey: NWBSOXGUGDIHDR-UHFFFAOYSA-N
norman_susdat_id: NS00088672
smiles:
[Ti+2].[Ti+2].[Ti+2].[Ti+2].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-].CCCCCCCCCC[O-]


name: 17-Hydroxypregna-4,9(11)-diene-3,20-dione 17-acetate
cas: 5106-48-9
chemspiderid: 96813
dtxsid: DTXSID40199063
formula: C23H30O4
inchikey: PMKJTWXWJLVKNH-PMAMDCHESA-N
norman_susdat_id: NS00032197
pubchem_cid: 107626
smiles: CC(=O)O[C@@]1(CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]12C)C(=O)C
inchi:
InChI=1S/C23H30O4/c1-14(24)23(27-15(2)25)12-9-20-18-6-5-16-13-17(26)7-10-21(16,3)19(18)8-11-22(20,23)4/h8,13,18,20H,5-7,9-12H2,1-4H3/t18-,20+,21+,22+,23+/m1/s1


name: Isododecylbenzene
cas: 51063-44-6
chemspiderid: 4954768
dtxsid: DTXSID20199066
formula: C18H30
inchikey: WBULCZWMWLOUQW-UHFFFAOYSA-N
norman_susdat_id: NS00032194
pubchem_cid: 6452333
smiles: CC(C)CCCCCCCCCc1ccccc1
inchi:
InChI=1S/C18H30/c1-17(2)13-9-6-4-3-5-7-10-14-18-15-11-8-12-16-18/h8,11-12,15-17H,3-7,9-10,13-14H2,1-2H3


name: (4R-trans)-2,2-Dimethyl-1,3-dioxolane-4,5-dimethyl bis(toluene-p-sulphonate)
cas: 51064-65-4
chemspiderid: 87954
dtxsid: DTXSID80199067
formula: C21H26O8S2
inchikey: KPFDKWNWYAXRNJ-WOJBJXKFSA-N
norman_susdat_id: NS00032196
pubchem_cid: 97446
smiles: Cc1ccc(cc1)S(=O)(=O)OCC1OC(C)(C)OC1COS(=O)(=O)c1ccc(C)cc1
inchi:
InChI=1S/C21H26O8S2/c1-15-5-9-17(10-6-15)30(22,23)26-13-19-20(29-21(3,4)28-19)14-27-31(24,25)18-11-7-16(2)8-12-18/h5-12,19-20H,13-14H2,1-4H3/t19-,20-/m1/s1


name: 2-(allyloxy)-4-chloro-N-[2-(diethylamino)ethyl]benzamide monohydrochloride
cas: 5107-01-7
chebiid: CHEBI:31187
dtxsid: DTXSID30199072
formula: C16H23ClN2O2
inchikey: QEWLHSNMEXFSCI-UHFFFAOYSA-N
norman_susdat_id: NS00045887
pubchem_cid: 71837
smiles: Cl.O=C(NCCN(CC)CC)C1=CC=C(Cl)C=C1OCC=C
inchi:
InChI=1/C16H23ClN2O2.ClH/c1-4-11-21-15-12-13(17)7-8-14(15)16(20)18-9-10-19(5-2)6-3;/h4,7-8,12H,1,5-6,9-11H2,2-3H3,(H,18,20);1H


name: [benzene-1,2,4,5-tetrayltetrakis(carbonyloxy)]tetrakis[tributylstannane]
cas: 5107-58-4
formula: C58H110O8Sn4
inchikey: CFXXZQZTLQFLOV-UHFFFAOYSA-J
norman_susdat_id: NS00044669
pubchem_cid: 16684481
inchi:
InChI=1/C10H6O8.12C4H9.4Sn/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16;12*1-3-4-2;;;;/h1-2H,(H,11,12)(H,13,14)(H,15,16)(H,17,18);12*1,3-4H2,2H3;;;;/q;;;;;;;;;;;;;4*+1/p-4/rC58H110O8Sn4/c1-13-25-37-67(38-26-14-2,39-27-15-3)63-55(59)51-49-53(57(61)65-69(43-31-19-7,44-32-20-8)45-33-21-9)54(58(62)66-70(46-34-22-10,47-35-23-11)48-36-24-12)50-52(51)56(60)64-68(40-28-16-4,41-29-17-5)42-30-18-6/h49-50H,13-48H2,1-12H3

smiles:
O=C(O[Sn](CCCC)(CCCC)CCCC)C=1C=C(C(=O)O[Sn](CCCC)(CCCC)CCCC)C(=CC1C(=O)O[Sn](CCCC)(CCCC)CCCC)C(=O)O[Sn](CCCC)(CCCC)CCCC


name: 4-[[(tributylstannyl)oxy]carbonyl]pyridine
cas: 5107-59-5
formula: C18H31NO2Sn
inchikey: UIMCSZIJWRJQSC-UHFFFAOYSA-M
norman_susdat_id: NS00045439
pubchem_cid: NA
smiles: O=C(O[Sn](CCCC)(CCCC)CCCC)C=1C=CN=CC1
inchi:
InChI=1/C6H5NO2.3C4H9.Sn/c8-6(9)5-1-3-7-4-2-5;3*1-3-4-2;/h1-4H,(H,8,9);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC18H31NO2Sn/c1-4-7-14-22(15-8-5-2,16-9-6-3)21-18(20)17-10-12-19-13-11-17/h10-13H,4-9,14-16H2,1-3H3


name: 2-Oxocyclohexane-1,1,3,3-tetrapropionic acid
cas: 5107-67-5
chemspiderid: 71121
dtxsid: DTXSID90199073
formula: C18H26O9
inchikey: CIVMSMDSVPVXSU-UHFFFAOYSA-N
norman_susdat_id: NS00021181
pubchem_cid: 78784
smiles: OC(=O)CCC1(CCC(=O)O)CCCC(CCC(=O)O)(CCC(=O)O)C1=O
inchi:
InChI=1S/C18H26O9/c19-12(20)2-8-17(9-3-13(21)22)6-1-7-18(16(17)27,10-4-14(23)24)11-5-15(25)26/h1-11H2,(H,19,20)(H,21,22)(H,23,24)(H,25,26)


name: N-(2-(1-Cyclohexen-1-yl)ethyl)-2-(4-methoxyphenyl)acetamide
cas: 51072-34-5
chemspiderid: 613396
dtxsid: DTXSID50199079
formula: C17H23N1O2
inchikey: QIXKSRMRGXDDEH-UHFFFAOYSA-N
norman_susdat_id: NS00032198
pubchem_cid: 703658
smiles: COc1ccc(CC(=O)NCCC2=CCCCC2)cc1
inchi:
InChI=1S/C17H23NO2/c1-20-16-9-7-15(8-10-16)13-17(19)18-12-11-14-5-3-2-4-6-14/h5,7-10H,2-4,6,11-13H2,1H3,(H,18,19)


cas: 510732-30-6
dtxsid: DTXSID20882587
norman_susdat_id: NS00109598
name:
Fatty acids, C9-15-unsatd., γ-ω-perfluoro, Et esters, reaction products with (3-hydroxypropoxy)-terminated di-Me siloxanes, Me Et ketone oxime, polymethylenepolyphenylene isocyanate and polypropylene


cas: 510732-38-4
dtxsid: DTXSID60882768
norman_susdat_id: NS00110978
name:
2-Propenoic acid, esters, 2-methyl-, cyclohexyl ester, polymers with maleic anhydride, .gamma.-.omega.-perfluoro-C6-16-alkyl acrylate and 2,4,6-tris(2-propenyloxy)-1,3,5-triazine


cas: 510732-48-6
dtxsid: DTXSID00883017
norman_susdat_id: NS00108925
name:
2-Propenoic acid, esters, 2-methyl-, octadecyl ester, polymers with .gamma.-.omega.-perfluoro-C8-14-alkyl acrylate


cas: 510733-10-5
dtxsid: DTXSID80882760
norman_susdat_id: NS00111668
name:
2-Propenoic acid, compounds, 2-methyl-, polymers with ethylene dimethacrylate, ethylene oxide, nonadecyl acrylate, .gamma.-.omega.-perfluoro-C6-16-alkyl acrylate and propylene oxide


cas: 510734-75-5
dtxsid: DTXSID00882863
norman_susdat_id: NS00108911
name:
2-Propenoic acid, esters, 2-methyl-, 2-hydroxyethyl ester, telomers with Et acrylate, 1-octanethiol and .gamma.-.omega.-perfluoro-C6-16-alkyl acrylate


name: 3-(Perfluorohexyl)-5-phenyl-1H-pyrazole
cas: 510768-12-4
dtxsid: DTXSID90893403
formula: C15H7F13N2
inchikey: VMNRZBDGGQYZPX-UHFFFAOYSA-N
norman_susdat_id: NS00112054
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=NNC(=C1)C1=CC=CC=C1
inchi:
InChI=1S/C15H7F13N2/c16-10(17,9-6-8(29-30-9)7-4-2-1-3-5-7)11(18,19)12(20,21)13(22,23)14(24,25)15(26,27)28/h1-6H,(H,29,30)


name: Ammonium 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(trifluoromethoxy)propoxy]propanoate
cas: 510774-77-3
dtxsid: DTXSID70896654
formula: C7H4F13NO4
inchikey: PFHRYNRSRUACEX-UHFFFAOYSA-N
norman_susdat_id: NS00111508
smiles: [NH4+].[O-]C(=O)C(F)(OC(F)(F)C(F)(OC(F)(F)F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1/C7HF13O4.H3N/c8-2(1(21)22,4(10,11)12)23-6(16,17)3(9,5(13,14)15)24-7(18,19)20;/h(H,21,22);1H3


name: Ammonium 2,3,3,3-tetrafluoro-2-[(undecafluoropentyl)oxy]propanoate
cas: 510774-81-9
dtxsid: DTXSID70896639
formula: C8H4F15NO3
inchikey: HZVUWLKXQRJTAL-UHFFFAOYSA-N
norman_susdat_id: NS00111507
smiles: [NH4+].[O-]C(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
inchi:
InChI=1/C8HF15O3.H3N/c9-2(1(24)25,6(16,17)18)26-8(22,23)5(14,15)3(10,11)4(12,13)7(19,20)21;/h(H,24,25);1H3


name: Quino[2,3-b]acridine-7,14-dione, 2,9-dichloro-5,6,12,13-tetrahydro-
cas: 51085-07-5
chemspiderid: 149471
dtxsid: DTXSID9068617
formula: C20H12Cl2N2O2
inchikey: QSHKTWMVEGIPMA-UHFFFAOYSA-N
norman_susdat_id: NS00022264
pubchem_cid: 170972
smiles: Clc1cc2c([nH]c3c(Cc4c(C3)c(=O)c3c([nH]4)ccc(Cl)c3)c2=O)cc1
inchi:
InChI=1S/C20H12Cl2N2O2/c21-9-1-3-15-11(5-9)19(25)13-8-18-14(7-17(13)23-15)20(26)12-6-10(22)2-4-16(12)24-18/h1-6H,7-8H2,(H,23,25)(H,24,26)


name: Roseoflavin
cas: 51093-55-1
chebiid: CHEBI:72346
chemspiderid: 149472
formula: C18H23N5O6
inchikey: IGQLDUYTWDABFK-GUTXKFCHSA-N
norman_susdat_id: NS00018036
pubchem_cid: 49867612
smiles: CC1=CC2=C(C=C1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O
inchi:
InChI=1S/C18H23N5O6/c1-8-4-9-11(5-10(8)22(2)3)23(6-12(25)15(27)13(26)7-24)16-14(19-9)17(28)21-18(29)20-16/h4-5,12-13,15,24-27H,6-7H2,1-3H3,(H,21,28,29)/t12-,13+,15-/m0/s1


name: Sodium 3-oxo-1,2-benzisothiazole-2(3H)-propanesulphonate 1,1-dioxide
cas: 51099-80-0
dtxsid: DTXSID40199104
formula: C10H11NO6S2
inchikey: KQESUUZXLBJROK-UHFFFAOYSA-M
norman_susdat_id: NS00056726
pubchem_cid: 3282023
smiles: [Na+].O=C1C=2C=CC=CC2S(=O)(=O)N1CCCS(=O)(=O)[O-]
inchi:
InChI=1/C10H11NO6S2.Na/c12-10-8-4-1-2-5-9(8)19(16,17)11(10)6-3-7-18(13,14)15;/h1-2,4-5H,3,6-7H2,(H,13,14,15);/q;+1/p-1


name: (3ß,21a)-8,14-secogammacera-8(26),14(27)-diene-3,21-diol
cas: 511-01-3
chebiid: CHEBI:138303
dtxsid: DTXSID10965373
formula: C30H50O2
inchikey: GESZMTVZGWZBPW-IHIDZKKCSA-N
norman_susdat_id: NS00042974
pubchem_cid: 11453544
smiles: OC1CCC2(C)C(C(=C)CCC2C1(C)C)CCC3C(=C)CCC4C(C)(C)C(O)CCC34C
inchi:
InChI=1/C30H50O2/c1-19-9-13-23-27(3,4)25(31)15-17-29(23,7)21(19)11-12-22-20(2)10-14-24-28(5,6)26(32)16-18-30(22,24)8/h21-26,31-32H,1-2,9-18H2,3-8H3


name: (8a)-5'a-benzyl-12'-hydroxy-2'-isopropylergotaman-3',6',18-trione
cas: 511-07-9
formula: C35H39N5O5
inchikey: HEFIYUQVAZFDEE-NASJTFDLSA-N
norman_susdat_id: NS00080437
inchi:
InChI=1/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)

smiles:
CC(C)[C@@]1(NC(=O)[C@@H]2CN(C)[C@@H]3Cc4c[nH]c5cccc(C3=C2)c45)O[C@@]6(O)[C@@H]7CCCN7C(=O)[C@H](Cc8ccccc8)N6C1=O


name: ergocristine
cas: 511-08-0
chemspiderid: 88725
formula: C35H39N5O5
inchikey: HEFIYUQVAZFDEE-UHFFFAOYSA-N
norman_susdat_id: NS00007974
pubchem_cid: 98255
smiles: CC(C)C1(NC(=O)C2CN(C)C3Cc4c[nH]c5cccc(C3=C2)c45)OC2(O)C3CCCN3C(=O)C(Cc3ccccc3)N2C1=O
inchi:
InChI=1S/C35H39N5O5/c1-20(2)34(37-31(41)23-16-25-24-11-7-12-26-30(24)22(18-36-26)17-27(25)38(3)19-23)33(43)40-28(15-21-9-5-4-6-10-21)32(42)39-14-8-13-29(39)35(40,44)45-34/h4-7,9-12,16,18,20,23,27-29,36,44H,8,13-15,17,19H2,1-3H3,(H,37,41)


name: Ergocryptine
cas: 511-09-1
chebiid: CHEBI:10276
chemspiderid: 118591
dtxsid: DTXSID70893244
formula: C32H41N5O5
inchikey: YDOTUXAWKBPQJW-NSLWYYNWSA-N
norman_susdat_id: NS00014991
pubchem_cid: 134551
smiles: CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=<br>C67)C5=C4)C)O
inchi:
InChI=1S/C32H41N5O5/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/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25+,26+,31-,32+/m1/s1


name: (8a)-12'-hydroxy-5'a-isobutyl-2'-isopropylergotaman-3',6',18-trione
cas: 511-10-4
formula: C32H41N5O5
inchikey: YDOTUXAWKBPQJW-JJANYQHSSA-N
norman_susdat_id: NS00080398
inchi:
InChI=1/C32H41N5O5/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/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)

smiles:
CC(C)C[C@@H]1N2C(=O)[C@](NC(=O)[C@@H]3CN(C)[C@@H]4Cc5c[nH]c6cccc(C4=C3)c56)(O[C@@]2(O)[C@@H]7CCCN7C1=O)C(C)C


name: Dihydroergotamine
cas: 511-12-6
chemspiderid: 4932126
dtxsid: DTXSID6045614
formula: C33H37N5O5
inchikey: LUZRJRNZXALNLM-XKNNNLKHSA-N
norman_susdat_id: NS00006826
pubchem_cid: 6426689
inchi:
InChI=1S/C33H37N5O5/c1-32(35-29(39)21-15-23-22-10-6-11-24-28(22)20(17-34-24)16-25(23)36(2)18-21)31(41)38-26(14-19-8-4-3-5-9-19)30(40)37-13-7-12-27(37)33(38,42)43-32/h3-6,8-11,17,21,23,25-27,34,42H,7,12-16,18H2,1-2H3,(H,35,39)/t21-,23?,25-,26+,27+,32-,33+/m1/s1

smiles:
C[C@@]1(C(=O)N2[C@H](C(=O)N3CCC[C@H]3[C@@]2(O1)O)Cc4ccccc4)/N=C(/[C@@H]5CC6c7cccc8c7c(c[nH]8)C[C@H]6N(C5)C)O


name: Clofedanol hydrochloride
cas: 511-13-7
chebiid: CHEBI:31392
formula: C17H20ClNO.ClH
inchikey: XYGSFNHCFFAJPO-UHFFFAOYSA-N
norman_susdat_id: NS00080399
smiles: Cl.CN(C)CCC(O)(c1ccccc1)c2ccccc2Cl
inchi:
InChI=1/C17H20ClNO.ClH/c1-19(2)13-12-17(20,14-8-4-3-5-9-14)15-10-6-7-11-16(15)18;/h3-11,20H,12-13H2,1-2H3;1H


name: 24-nor-5ß-cholan-23-oic acid
cas: 511-18-2
dtxsid: DTXSID60878646
formula: C23H38O2
inchikey: UNDDRXNWYMVMIX-RDIILWCNSA-N
norman_susdat_id: NS00043565
pubchem_cid: 12313501
smiles: O=C(O)CC(C)C1CCC2C3CCC4CCCCC4(C)C3CCC12C
inchi:
InChI=1/C23H38O2/c1-15(14-21(24)25)18-9-10-19-17-8-7-16-6-4-5-12-22(16,2)20(17)11-13-23(18,19)3/h15-20H,4-14H2,1-3H3,(H,24,25)


name: 9,10-secoergosta-5(Z),7(E),10(19)-trien-3ß-ol
cas: 511-28-4
formula: C28H46O
inchikey: DIPPFEXMRDPFBK-UHFFFAOYSA-N
norman_susdat_id: NS00043491
pubchem_cid: 76546985
smiles: OC1CC(=CC=C2CCCC3(C)C2CCC3C(C)CCC(C)C(C)C)C(=C)CC1
inchi:
InChI=1/C28H46O/c1-19(2)20(3)9-10-22(5)26-15-16-27-23(8-7-17-28(26,27)6)12-13-24-18-25(29)14-11-21(24)4/h12-13,19-20,22,25-27,29H,4,7-11,14-18H2,1-3,5-6H3


name: Farnesiferol A
cas: 511-33-1
dtxsid: DTXSID00199105
formula: C24H30O4
inchikey: FCWYNTDTQPCVPG-WTMJVXIESA-N
norman_susdat_id: NS00096996
smiles: C[C@@]12CC[C@H](C([C@H]1CCC(=C)[C@@H]2COC3=CC4=C(C=C3)C=CC(=O)O4)(C)C)O
inchi:
InChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h6-8,10,13,18,20-21,25H,1,5,9,11-12,14H2,2-4H3/t18-,20+,21+,24-/m0/s1


name: gamma-Chaconine
cas: 511-36-4
chebiid: CHEBI:176052
chemspiderid: 21123844
formula: C33H53NO6
inchikey: IDGKMGZVTKHZDA-OSCYGWHCSA-N
norman_susdat_id: NS00094325
pubchem_cid: 19988953
smiles:
C[C@H]1CC[C@@H]2[C@H]([C@H]3[C@@H](N2C1)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)C)C)C


name: Pridinol
cas: 511-45-5
chebiid: CHEBI:75247
chemspiderid: 4735
dtxsid: DTXSID0045090
formula: C20H25N1O1
inchikey: RQXCLMGKHJWMOA-UHFFFAOYSA-N
norman_susdat_id: NS00001644
pubchem_cid: 4904
smiles: OC(CCN1CCCCC1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C20H25NO/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-13,22H,3,8-9,14-17H2


name: clofenetamine
cas: 511-46-6
chemspiderid: 64836
formula: C20H26Cl1N1O1
inchikey: IKFQEQVEOQNTRJ-UHFFFAOYSA-N
norman_susdat_id: NS00008590
pubchem_cid: 71812
smiles: CCN(CC)CCOC(C)(c1ccccc1)c1ccc(Cl)cc1
inchi:
InChI=1S/C20H26ClNO/c1-4-22(5-2)15-16-23-20(3,17-9-7-6-8-10-17)18-11-13-19(21)14-12-18/h6-14H,4-5,15-16H2,1-3H3


name: Xenytropium bromide
cas: 511-55-7
dtxsid: DTXSID50965377
formula: C30H34NO3
inchikey: KDXSSNBFSJKQMR-JWKFFUIZSA-M
norman_susdat_id: NS00044019
pubchem_cid: 10533
smiles: [Br-].O=C(OC1CC2CCC(C1)[N+]2(C)CC=3C=CC(=CC3)C=4C=CC=CC4)C(C=5C=CC=CC5)CO
inchi:
InChI=1/C30H34NO3.BrH/c1-31(20-22-12-14-24(15-13-22)23-8-4-2-5-9-23)26-16-17-27(31)19-28(18-26)34-30(33)29(21-32)25-10-6-3-7-11-25;/h2-15,26-29,32H,16-21H2,1H3;1H/q+1;/p-1


name: 5-(1,2-dibromo-2-phenylethyl)-5-methylimidazolidine-2,4-dione
cas: 511-75-1
dtxsid: DTXSID40862083
formula: C12H12Br2N2O2
inchikey: OVMOGYOGBCHGHY-UHFFFAOYSA-N
norman_susdat_id: NS00043506
pubchem_cid: 3083607
smiles: O=C1NC(=O)C(N1)(C)C(Br)C(Br)C=2C=CC=CC2
inchi:
InChI=1/C12H12Br2N2O2/c1-12(10(17)15-11(18)16-12)9(14)8(13)7-5-3-2-4-6-7/h2-6,8-9H,1H3,(H2,15,16,17,18)


name: Soladulcidine
cas: 511-98-8
chebiid: CHEBI:169816
chemspiderid: 255997
formula: C27H45NO2
inchikey: XYNPYHXGMWJBLV-MFRNJXNGSA-N
norman_susdat_id: NS00094326
pubchem_cid: 224494
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)C)C)NC1


name: 9-fluoro-11ß,21-dihydroxy-16a,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione 21-valerate
cas: 51112-52-8
dtxsid: DTXSID90965391
formula: C29H39FO7
inchikey: JFOVIARCZOJXST-UHFFFAOYSA-N
norman_susdat_id: NS00056727
pubchem_cid: NA
smiles: O=C1C=CC2(C(=C1)CCC3C4CC5OC(OC5(C(=O)COC(=O)CCCC)C4(C)CC(O)C32F)(C)C)C
inchi:
InChI=1/C29H39FO7/c1-6-7-8-24(34)35-16-22(33)29-23(36-25(2,3)37-29)14-20-19-10-9-17-13-18(31)11-12-26(17,4)28(19,30)21(32)15-27(20,29)5/h11-13,19-21,23,32H,6-10,14-16H2,1-5H3


name: Ethynylenebis[diphenylphosphine]
cas: 5112-95-8
dtxsid: DTXSID00199140
formula: C26H20P2
inchikey: FOWZHJNBFVLJGP-UHFFFAOYSA-N
norman_susdat_id: NS00045888
pubchem_cid: 78789
smiles: C(#CP(C=1C=CC=CC1)C=2C=CC=CC2)P(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C26H20P2/c1-5-13-23(14-6-1)27(24-15-7-2-8-16-24)21-22-28(25-17-9-3-10-18-25)26-19-11-4-12-20-26/h1-20H


name: 4-amino-N-(2-ethylhexyl)benzamide
cas: 51120-01-5
dtxsid: DTXSID10885941
formula: C15H24N2O
inchikey: YDUZSNYLTSGMTE-UHFFFAOYSA-N
norman_susdat_id: NS00056663
pubchem_cid: 112700
smiles: O=C(NCC(CC)CCCC)C1=CC=C(N)C=C1
inchi:
InChI=1/C15H24N2O/c1-3-5-6-12(4-2)11-17-15(18)13-7-9-14(16)10-8-13/h7-10,12H,3-6,11,16H2,1-2H3,(H,17,18)


cas: 511271-18-4
dtxsid: DTXSID20882946
norman_susdat_id: NS00109634
name:
2-Propenoic acid, esters, .gamma.-.omega.-perfluoro-C8-16-alkyl esters, polymers with ethylene and N-(hydroxymethyl)-2-propenamide


cas: 511271-19-5
dtxsid: DTXSID10882899
norman_susdat_id: NS00109277
name:
2-Propenoic acid, esters, 2-methyl-, cyclohexyl ester, polymers with glycidyl methacrylate and .gamma.-.omega.-perfluoro-C6-16-alkyl acrylate


name: Phenothrin Isomer 2
cas: 51134-88-4
chemspiderid: 36506
dtxsid: DTXSID50199155
formula: C23H26O3
inchikey: SBNFWQZLDJGRLK-NHCUHLMSSA-N
norman_susdat_id: NS00066956
pubchem_cid: 39928
smiles: C/C(C)=C/[C@@H]1[C@H](C(OCc2cc(Oc3ccccc3)ccc2)=O)C1(C)C
inchi:
InChI=1S/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3/t20-,21-/m1/s1


name: Tris(2-ethylhexanoic) acid, trianhydride with boric acid
cas: 51136-86-8
formula: C24H45BO6
inchikey: NREHJWUDMQQZAP-UHFFFAOYSA-N
norman_susdat_id: NS00057587
pubchem_cid: 162628
smiles: O=C(OB(OC(=O)C(CC)CCCC)OC(=O)C(CC)CCCC)C(CC)CCCC
inchi:
InChI=1/C24H45BO6/c1-7-13-16-19(10-4)22(26)29-25(30-23(27)20(11-5)17-14-8-2)31-24(28)21(12-6)18-15-9-3/h19-21H,7-18H2,1-6H3


name: Bis(2-hydroxyethyl)[2-(stearoyloxy)ethyl]ammonium formate
cas: 51137-00-9
formula: C24H49NO4.CH2O2
inchikey: MEZWZDQUZREBND-UHFFFAOYSA-N
norman_susdat_id: NS00088275
smiles: CCCCCCCCCCCCCCCCCC(=O)OCC[NH+](CCO)CCO.[O-]C=O
inchi:
InChI=1/C24H49NO4.CH2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(28)29-23-20-25(18-21-26)19-22-27;2-1-3/h26-27H,2-23H2,1H3;1H,(H,2,3)


name: 2,2'-[ethylenebis(oxy)]bis[1,3,2-dioxastibolane]
cas: 51138-28-4
formula: C6H12O6Sb2
inchikey: JEPVJCOLPSALKN-UHFFFAOYSA-N
norman_susdat_id: NS00088951
smiles: C(CO[Sb]1OCCO1)O[Sb]2OCCO2
inchi:
InChI=1/3C2H4O2.2Sb/c3*3-1-2-4;;/h3*1-2H2;;/q3*-2;2*+3/rC6H12O6Sb2/c1-2-8-13(7-1)11-5-6-12-14-9-3-4-10-14/h1-6H2


cas: 51142-49-5
dtxsid: DTXSID10882839
norman_susdat_id: NS00109271
name:
1-Butanamine, 1,1,2,2,3,3,4,4,4-nonafluoro-N,N-bis(nonafluorobutyl)- mixed with 1-Butanamine, 1,1,1-trifluoro-N,N-bis(nonafluorobutyl)-  (Fluorinert FC-40)


name: 1,1'-Oxybispentadecane
cas: 51148-16-4
chemspiderid: 4954784
dtxsid: DTXSID40199169
formula: C30H62O1
inchikey: YGUGZXZLWIADHU-UHFFFAOYSA-N
norman_susdat_id: NS00032220
pubchem_cid: 6452350
smiles: CCCCCCCCCCCCCCCOCCCCCCCCCCCCCCC
inchi:
InChI=1S/C30H62O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-30H2,1-2H3


name: 3,9-di-2-furyl-2,4,8,10-tetraoxaspiro[5.5]undecane
cas: 5115-25-3
dtxsid: DTXSID3063704
formula: C15H16O6
inchikey: RCPOYMZTZWMPSU-UHFFFAOYSA-N
norman_susdat_id: NS00044670
pubchem_cid: 78793
smiles: O1C=CC=C1C2OCC3(CO2)COC(OC3)C=4OC=CC4
inchi:
InChI=1/C15H16O6/c1-3-11(16-5-1)13-18-7-15(8-19-13)9-20-14(21-10-15)12-4-2-6-17-12/h1-6,13-14H,7-10H2


name: (2-ethylhexyl) dihydrogen 2-hydroxypropane-1,2,3-tricarboxylate
cas: 51152-27-3
dtxsid: DTXSID20965425
formula: C14H24O7
inchikey: NWMWIZWLHXMUGJ-UHFFFAOYSA-N
norman_susdat_id: NS00056276
pubchem_cid: 6452352
smiles: O=C(O)CC(O)(C(=O)O)CC(=O)OCC(CC)CCCC
inchi:
InChI=1/C14H24O7/c1-3-5-6-10(4-2)9-21-12(17)8-14(20,13(18)19)7-11(15)16/h10,20H,3-9H2,1-2H3,(H,15,16)(H,18,19)


name: Pregna-4,6-diene-3,20-dione, 17-(acetyloxy)-6-methyl-, (9beta,10alpha)-
cas: 51154-23-5
dtxsid: DTXSID30199178
formula: C24H32O4
inchikey: RQZAXGRLVPAYTJ-JJIRRVJSSA-N
norman_susdat_id: NS00076250
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: Fibracillin
cas: 51154-48-4
chemspiderid: 8635510
dtxsid: DTXSID90199179
formula: C26H28Cl1N3O6S1
inchikey: BSIJLJGDLNRGBY-MFXLTOHQSA-N
norman_susdat_id: NS00011637
pubchem_cid: 10460097
smiles: O=C(O)[C@H]3N4C(=O)[C@H](NC(=O)C(c1ccccc1)NC(=O)C(Oc2ccc(Cl)cc2)(C)C)[C@@H]4SC3(C)C
inchi:
InChI=1S/C26H28ClN3O6S/c1-25(2,36-16-12-10-15(27)11-13-16)24(35)29-17(14-8-6-5-7-9-14)20(31)28-18-21(32)30-19(23(33)34)26(3,4)37-22(18)30/h5-13,17-19,22H,1-4H3,(H,28,31)(H,29,35)(H,33,34)/t17?,18-,19+,22-/m0/s1


name: Bis(2-((2-methyl-1-oxoallyl)oxy)ethyl) dihydrogen benzene-1,2,4,5-tetracarboxylate
cas: 51156-91-3
chemspiderid: 4954788
dtxsid: DTXSID80199183
formula: C22H22O12
inchikey: QRHPRZPOTQIIMU-UHFFFAOYSA-N
norman_susdat_id: NS00032222
pubchem_cid: 6452354
smiles: CC(=C)C(=O)OCCOC(=O)c1c(cc(C(=O)O)c(c1)C(=O)O)C(=O)OCCOC(=O)C(=C)C
inchi:
InChI=1S/C22H22O12/c1-11(2)19(27)31-5-7-33-21(29)15-9-13(17(23)24)14(18(25)26)10-16(15)22(30)34-8-6-32-20(28)12(3)4/h9-10H,1,3,5-8H2,2,4H3,(H,23,24)(H,25,26)


cas: 51158-08-8
formula: C21H42O4
norman_susdat_id: NS00101893
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with 1,2,3-propanetriol monooctadecanoate (2:1)


name: a-hydroxythymidine
cas: 5116-24-5
dtxsid: DTXSID70965430
formula: C10H14N2O6
inchikey: IPAVKOYJGUMINP-UHFFFAOYSA-N
norman_susdat_id: NS00045392
pubchem_cid: 5201346
smiles: O=C1NC(=O)N(C=C1CO)C2OC(CO)C(O)C2
inchi:
InChI=1/C10H14N2O6/c13-3-5-2-12(10(17)11-9(5)16)8-1-6(15)7(4-14)18-8/h2,6-8,13-15H,1,3-4H2,(H,11,16,17)


name: 2,2,4,4,6,6-hexahydro-2,2,4,4,6,6-hexapropoxy-1,2,3,4,5,6-triazatriphosphorine
cas: 5116-77-8
dtxsid: DTXSID90965432
formula: C18H42N3O6P3
inchikey: KKPKGYUFKPQTFP-UHFFFAOYSA-N
norman_susdat_id: NS00045890
pubchem_cid: 78794
smiles: N=1P(=NP(=NP1(OCCC)OCCC)(OCCC)OCCC)(OCCC)OCCC
inchi:
InChI=1/C18H42N3O6P3/c1-7-13-22-28(23-14-8-2)19-29(24-15-9-3,25-16-10-4)21-30(20-28,26-17-11-5)27-18-12-6/h7-18H2,1-6H3


name: Bis(tridecan-1-yl) hydrogen phosphate
cas: 5116-95-0
dtxsid: DTXSID60863491
formula: C26H55O4P
inchikey: XEJNLUBEFCNORG-UHFFFAOYSA-N
norman_susdat_id: NS00044671
pubchem_cid: 62563
smiles: O=P(O)(OCCCCCCCCCCCCC)OCCCCCCCCCCCCC
inchi:
InChI=1/C26H55O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-31(27,28)30-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3,(H,27,28)


cas: 51160-59-9
dtxsid: DTXSID50965433
formula: C31H42N2O10
inchikey: IRFFIHOBRFCCOL-UHFFFAOYSA-N
norman_susdat_id: NS00056665
pubchem_cid: 21124931
smiles: O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)NC1=CC=CC(=C1)CNC(=O)OCC(CC)CCCC)C=C
name:
2-[[[[[3-[[[(2-ethylhexyl)oxy]carbonyl]amino]methylphenyl]amino]carbonyl]oxy]methyl]-2-[[(1-oxoallyl)oxy]methyl]-1,3-propanediyl diacrylate

inchi:
InChI=1/C31H42N2O10/c1-6-11-13-23(7-2)18-39-29(37)32-17-24-14-12-15-25(16-24)33-30(38)43-22-31(19-40-26(34)8-3,20-41-27(35)9-4)21-42-28(36)10-5/h8-10,12,14-16,23H,3-7,11,13,17-22H2,1-2H3,(H,32,37)(H,33,38)


cas: 51160-64-6
dtxsid: DTXSID10965434
formula: C37H42N2O16
inchikey: GTADQCQJROMPQI-UHFFFAOYSA-N
norman_susdat_id: NS00056802
pubchem_cid: 57350350
name:
(methyl-1,3-phenylene)bis[iminocarbonyloxy[2,2-bis[[(1-oxoallyl)oxy]methyl]]-3,1-propanediyl] diacrylate

inchi:
InChI=1/C37H42N2O16/c1-8-28(40)48-17-36(18-49-29(41)9-2,19-50-30(42)10-3)23-54-34(46)38-26-15-14-16-27(25(26)7)39-35(47)55-24-37(20-51-31(43)11-4,21-52-32(44)12-5)22-53-33(45)13-6/h8-16H,1-6,17-24H2,7H3,(H,38,46)(H,39,47)

smiles:
O=C(OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)NC1=CC=CC(NC(=O)OCC(COC(=O)C=C)(COC(=O)C=C)COC(=O)C=C)=C1C)C=C


name: 2'-(2,4-Dichloro-5-(1-methylethoxy)phenyl)-2,2-dimethylpropionohydrazide
cas: 51167-18-1
chemspiderid: 4954791
dtxsid: DTXSID10199191
formula: C14H20Cl2N2O2
inchikey: IRVAUMHWBDVRPH-UHFFFAOYSA-N
norman_susdat_id: NS00009045
pubchem_cid: 6452357
smiles: CC(C)Oc1cc(NNC(=O)C(C)(C)C)c(Cl)cc1Cl
inchi:
InChI=1S/C14H20Cl2N2O2/c1-8(2)20-12-7-11(9(15)6-10(12)16)17-18-13(19)14(3,4)5/h6-8,17H,1-5H3,(H,18,19)


name: 5-(p-methylphenyl)-5-phenylhydantoin
cas: 51169-17-6
chemspiderid: 83358
formula: C16H14N2O2
inchikey: WPAPSGQWYNPWCZ-UHFFFAOYSA-N
norman_susdat_id: NS00006056
pubchem_cid: 92334
smiles: Cc1ccc(cc1)C1(NC(=O)NC1=O)c1ccccc1
inchi:
InChI=1S/C16H14N2O2/c1-11-7-9-13(10-8-11)16(12-5-3-2-4-6-12)14(19)17-15(20)18-16/h2-10H,1H3,(H2,17,18,19,20)


name: 5,5'-dithiobis[1-phenyl-1H-tetrazole]
cas: 5117-07-7
dtxsid: DTXSID8063705
formula: C14H10N8S2
inchikey: CJXASCLMZSMFTL-UHFFFAOYSA-N
norman_susdat_id: NS00045911
pubchem_cid: 78795
smiles: N=1N=C(SSC2=NN=NN2C=3C=CC=CC3)N(N1)C=4C=CC=CC4
inchi:
InChI=1/C14H10N8S2/c1-3-7-11(8-4-1)21-13(15-17-19-21)23-24-14-16-18-20-22(14)12-9-5-2-6-10-12/h1-10H


name: Bis(2-hydroxyethyl)ammonium 2-(2,4-dichlorophenoxy)propionate
cas: 51170-58-2
formula: C9H8Cl2O3.C4H11NO2
inchikey: LFJNIWNCBIFWHP-UHFFFAOYSA-N
norman_susdat_id: NS00088952
smiles: CC(Oc1ccc(Cl)cc1Cl)C(=O)[O-].OCC[NH2+]CCO
inchi:
InChI=1/C9H8Cl2O3.C4H11NO2/c1-5(9(12)13)14-8-3-2-6(10)4-7(8)11;6-3-1-5-2-4-7/h2-5H,1H3,(H,12,13);5-7H,1-4H2


name: Melitracen
cas: 5118-29-6
chebiid: CHEBI:135214
chemspiderid: 23697
dtxsid: DTXSID4048274
formula: C21H25N1
inchikey: GWWLWDURRGNSRS-UHFFFAOYSA-N
norman_susdat_id: NS00007601
pubchem_cid: 25382
smiles: CN(C)CCC=C1c2ccccc2C(C)(C)c2ccccc12
inchi:
InChI=1S/C21H25N/c1-21(2)19-13-7-5-10-17(19)16(12-9-15-22(3)4)18-11-6-8-14-20(18)21/h5-8,10-14H,9,15H2,1-4H3


name: 1,3,5-Triazine-2,4-diamine, 6,6'-(1,3-phenylene)bis-
cas: 5118-80-9
dtxsid: DTXSID3063708
formula: C12H12N10
inchikey: SVOFLTDQIZSKLN-UHFFFAOYSA-N
norman_susdat_id: NS00045393
pubchem_cid: 78799
smiles: N=1C(=NC(=NC1N)C=2C=CC=C(C2)C=3N=C(N=C(N3)N)N)N
inchi:
InChI=1/C12H12N10/c13-9-17-7(18-10(14)21-9)5-2-1-3-6(4-5)8-19-11(15)22-12(16)20-8/h1-4H,(H4,13,14,17,18,21)(H4,15,16,19,20,22)


name: Dodecyldimethylsulphonium methyl sulphate
cas: 51186-33-5
dtxsid: DTXSID20199203
formula: C14H31S
inchikey: ODEOTZHRELXGPA-UHFFFAOYSA-M
norman_susdat_id: NS00056277
pubchem_cid: 3016616
smiles: O=S(=O)([O-])OC.[S+](C)(C)CCCCCCCCCCCC
inchi:
InChI=1/C14H31S.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15(2)3;1-5-6(2,3)4/h4-14H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


name: m-phenoxybenzyl (1R-cis)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
cas: 51186-88-0
formula: C23H26O3
inchikey: SBNFWQZLDJGRLK-LBAQZLPGSA-N
norman_susdat_id: NS00088293
smiles: CC(=CC1[C@@H](C(=O)OCc2cccc(Oc3ccccc3)c2)C1(C)C)C
inchi:
InChI=1/C23H26O3/c1-16(2)13-20-21(23(20,3)4)22(24)25-15-17-9-8-12-19(14-17)26-18-10-6-5-7-11-18/h5-14,20-21H,15H2,1-4H3


cas: 51192-09-7
formula: C21H40O4
norman_susdat_id: NS00101214
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with 1,2,3-propanetriol mono-(9Z)-9-octadecenoate (2:1)


name: 17,21-Dihydroxypregna-1,4-diene-3,11,20-trione 21-pivalate
cas: 51192-49-5
chemspiderid: 4954800
dtxsid: DTXSID60199207
formula: C26H34O6
inchikey: FGBTZHGXCKUNFT-MOAAPXTLSA-N
norman_susdat_id: NS00032232
pubchem_cid: 6452366
smiles: CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3C(=O)C[C@]12C
inchi:
InChI=1S/C26H34O6/c1-23(2,3)22(30)32-14-20(29)26(31)11-9-18-17-7-6-15-12-16(27)8-10-24(15,4)21(17)19(28)13-25(18,26)5/h8,10,12,17-18,21,31H,6-7,9,11,13-14H2,1-5H3/t17-,18-,21+,24-,25-,26-/m0/s1


name: Nordextromethorphan
cas: 51195-74-5
chemspiderid: 539500
formula: C17H23NO
inchikey: PDMHIEDETZUMJB-UHFFFAOYSA-N
norman_susdat_id: NS00114077
pubchem_cid: 620851
smiles: COC1=CC2=C(C=C1)C34CCCCC3C(C2)NCC4
inchi:
InChI=1S/C17H23NO/c1-19-13-5-6-14-12(10-13)11-16-15-4-2-3-7-17(14,15)8-9-18-16/h5-6,10,15-16,18H,2-4,7-9,11H2,1H3


name: Disodium (dodecylphenoxy)benzenedisulphonate
cas: 51196-72-6
dtxsid: DTXSID40965462
formula: C24H34O7S2
inchikey: XDVCWEGZPJGEDB-UHFFFAOYSA-L
norman_susdat_id: NS00056740
pubchem_cid: 11970507
smiles: [Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(OC=2C=CC=CC2CCCCCCCCCCCC)C1S(=O)(=O)[O-]
inchi:
InChI=1/C24H34O7S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-15-20-16-12-13-17-21(20)31-22-18-14-19-23(32(25,26)27)24(22)33(28,29)30;;/h12-14,16-19H,2-11,15H2,1H3,(H,25,26,27)(H,28,29,30);;/q;2*+1/p-2


name: Diosgenin
cas: 512-04-9
chebiid: CHEBI:4629
chemspiderid: 89870
formula: C27H42O3
inchikey: WQLVFSAGQJTQCK-VKROHFNGSA-N
norman_susdat_id: NS00014256
pubchem_cid: 99474
smiles: C[C@@H]1CC[C@@]2(OC1)O[C@H]3C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]4(C)[C@H]3[C@@H]2C
eea_notation: CAS_512-04-9
inchi:
InChI=1S/C27H42O3/c1-16-7-12-27(29-15-16)17(2)24-23(30-27)14-22-20-6-5-18-13-19(28)8-10-25(18,3)21(20)9-11-26(22,24)4/h5,16-17,19-24,28H,6-15H2,1-4H3/t16-,17+,19+,20-,21+,22+,23+,24+,25+,26+,27-/m1/s1


name: Yamogenin
cas: 512-06-1
chebiid: CHEBI:10086
chemspiderid: 441900
formula: C27H42O3
inchikey: WQLVFSAGQJTQCK-CAKNJAFZSA-N
norman_susdat_id: NS00093689
pubchem_cid: 390476
smiles:
C[C@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4CC=C6[C@@]5(CC[C@@H](C6)O)C)C)C)OC1


name: Cyclopentolate
cas: 512-15-2
chebiid: CHEBI:4024
chemspiderid: 2802
dtxsid: DTXSID3048528
formula: C17H25N1O3
inchikey: SKYSRIRYMSLOIN-UHFFFAOYSA-N
norman_susdat_id: NS00009832
pubchem_cid: 2905
smiles: CN(C)CCOC(=O)C(c1ccccc1)C1(O)CCCC1
inchi:
InChI=1S/C17H25NO3/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


name: Tribarium dicitrate
cas: 512-25-4
formula: C6H8O7.3/2Ba
inchikey: PAVWOHWZXOQYDB-UHFFFAOYSA-H
norman_susdat_id: NS00080717
smiles: [Ba+2].[Ba+2].[Ba+2].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-].OC(CC(=O)[O-])(CC(=O)[O-])C(=O)[O-]
inchi:
InChI=1/2C6H8O7.3Ba/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: Trilead dicitrate
cas: 512-26-5
formula: C6H8O7.3/2Pb
inchikey: HOQPTLCRWVZIQZ-UHFFFAOYSA-H
norman_susdat_id: NS00080452
smiles: [Pb+2].[Pb+2].[Pb+2].O=C([O-])CC(O)(CC(=O)[O-])C([O-])=O.[O-]C(=O)C(O)(CC([O-])=O)CC([O-])=O
inchi:
InChI=1/2C6H8O7.3Pb.6H/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*+4;;;;;;/p-6/r2C6H8O7.3H2Pb/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);3*1H2/q;;3*+4/p-6


name: Hexaphenylcyclotrisiloxane
cas: 512-63-0
dtxsid: DTXSID4060151
formula: C36H30O3Si3
inchikey: VCYDUTCMKSROID-UHFFFAOYSA-N
norman_susdat_id: NS00044020
pubchem_cid: 68187
smiles: O1[Si](O[Si](O[Si]1(C=2C=CC=CC2)C=3C=CC=CC3)(C=4C=CC=CC4)C=5C=CC=CC5)(C=6C=CC=CC6)C=7C=CC=CC7
inchi:
InChI=1/C36H30O3Si3/c1-7-19-31(20-8-1)40(32-21-9-2-10-22-32)37-41(33-23-11-3-12-24-33,34-25-13-4-14-26-34)39-42(38-40,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H


name: Raffinose
cas: 512-69-6
chebiid: CHEBI:16634
chemspiderid: 388379
dtxsid: DTXSID8041111
formula: C18H32O16
inchikey: MUPFEKGTMRGPLJ-ZQSKZDJDSA-N
norman_susdat_id: NS00004142
pubchem_cid: 439242
inchi:
InChI=1S/C18H32O16/c19-1-5-8(22)11(25)13(27)16(31-5)30-3-7-9(23)12(26)14(28)17(32-7)34-18(4-21)15(29)10(24)6(2-20)33-18/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@@](CO)(O[C@H]2O[C@H](CO[C@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O


name: N-(2-hydroxy-1,1-dimethylethyl)-1-(isopropyl)-2-methylcyclohexanecarboxamide
cas: 51200-96-5
dtxsid: DTXSID90965472
formula: C15H29NO2
inchikey: QMJDIAQPRSFILF-UHFFFAOYSA-N
norman_susdat_id: NS00056761
pubchem_cid: 3016623
smiles: O=C(NC(C)(C)CO)C1(CCCCC1C)C(C)C
inchi:
InChI=1/C15H29NO2/c1-11(2)15(9-7-6-8-12(15)3)13(18)16-14(4,5)10-17/h11-12,17H,6-10H2,1-5H3,(H,16,18)


name: 5(4H)-Oxazolone, 2,2'-(1,4-phenylene)bis[4-[(4-methoxyphenyl)methylene]-
cas: 51202-86-9
chemspiderid: 149492
dtxsid: DTXSID8068624
formula: C28H20N2O6
inchikey: XZRFHDOOIZDXFC-UHFFFAOYSA-N
norman_susdat_id: NS00032235
pubchem_cid: 170995
smiles: COc1ccc(/C=C2/N=C(OC2=O)c2ccc(cc2)C2=N/C(=C/c3ccc(OC)cc3)/C(=O)O2)cc1
inchi:
InChI=1S/C28H20N2O6/c1-33-21-11-3-17(4-12-21)15-23-27(31)35-25(29-23)19-7-9-20(10-8-19)26-30-24(28(32)36-26)16-18-5-13-22(34-2)14-6-18/h3-16H,1-2H3/b23-15+,24-16+


name: Propylene dimyristate
cas: 51209-16-6
dtxsid: DTXSID10965479
formula: C31H60O4
inchikey: NRRPJRVSNIJDAP-UHFFFAOYSA-N
norman_susdat_id: NS00056323
pubchem_cid: 6452369
smiles: O=C(OCC(OC(=O)CCCCCCCCCCCCC)C)CCCCCCCCCCCCC
inchi:
InChI=1/C31H60O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-30(32)34-28-29(3)35-31(33)27-25-23-21-19-17-15-13-11-9-7-5-2/h29H,4-28H2,1-3H3


name: methyl N-(2{[1-(4-chlorophenyl)-1H-pyrazol-3-yl] oxymethyl} phenyl)carbamate
cas: 512165-96-7
chemspiderid: 9884888
formula: C18H16Cl1N3O3
inchikey: SEUOYURJKYLAPC-UHFFFAOYSA-N
norman_susdat_id: NS00014299
pubchem_cid: 11710166
smiles: COC(=O)Nc1ccccc1COc1ccn(n1)-c1ccc(Cl)cc1
inchi:
InChI=1S/C18H16ClN3O3/c1-24-18(23)20-16-5-3-2-4-13(16)12-25-17-10-11-22(21-17)15-8-6-14(19)7-9-15/h2-11H,12H2,1H3,(H,20,23)


cas: 512179-48-5
dtxsid: DTXSID50882656
norman_susdat_id: NS00110632
name:
Polymer of 2-ethylhexyl methacrylate, 14-hydroxy-3,6,9,12-tetraoxahexadecyl methacrylate, 11-hydroxy-3,6,9-trioxaundecyl methacrylate and 2-{perfluoro[n-alkyl(C4-14)]}ethyl acrylate, which has addition compound of octane-1-thiol on one terminal


cas: 512179-62-3
dtxsid: DTXSID80882684
norman_susdat_id: NS00111661
name:
Acetic acid, compounds, chloro-, sodium salt, reaction products with N-(3-aminopropyl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonamide and 3-chloro-2-hydroxy-1-propanesulfonic acid monosodium salt


name: Pretilachlor
cas: 51218-49-6
chebiid: CHEBI:34931
chemspiderid: 82747
dtxsid: DTXSID8058112
formula: C17H26Cl1N1O2
inchikey: YLPGTOIOYRQOHV-UHFFFAOYSA-N
norman_susdat_id: NS00000530
pubchem_cid: 91644
smiles: ClCC(=O)N(c1c(cccc1CC)CC)CCOCCC
inchi:
InChI=1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3


name: Sodium m-(diethylamino)benzenesulphonate
cas: 5123-63-7
dtxsid: DTXSID8063709
formula: C10H15NO3S
inchikey: YERLJJDMKZJPBL-UHFFFAOYSA-M
norman_susdat_id: NS00045394
pubchem_cid: 66798
smiles: [Na+].O=S(=O)([O-])C=1C=CC=C(C1)N(CC)CC
inchi:
InChI=1/C10H15NO3S.Na/c1-3-11(4-2)9-6-5-7-10(8-9)15(12,13)14;/h5-8H,3-4H2,1-2H3,(H,12,13,14);/q;+1/p-1


name: Benoxaprofen
cas: 51234-28-7
chebiid: CHEBI:76114
chemspiderid: 36518
dtxsid: DTXSID4022650
formula: C16H12Cl1N1O3
inchikey: MITFXPHMIHQXPI-UHFFFAOYSA-N
norman_susdat_id: NS00004824
pubchem_cid: 39941
smiles: CC(C(O)=O)c1ccc2oc(nc2c1)-c1ccc(Cl)cc1
inchi:
InChI=1S/C16H12ClNO3/c1-9(16(19)20)11-4-7-14-13(8-11)18-15(21-14)10-2-5-12(17)6-3-10/h2-9H,1H3,(H,19,20)


name: Sodium 2-(4-chlorophenyl)benzoxazole-5-propionate
cas: 51234-86-7
dtxsid: DTXSID80965527
formula: C16H12ClNO3
inchikey: DHTJGQFZMDZXGW-UHFFFAOYSA-M
norman_susdat_id: NS00056764
pubchem_cid: NA
smiles: [Na+].O=C([O-])CCC1=CC=C2OC(=NC2=C1)C=3C=CC(Cl)=CC3
inchi:
InChI=1/C16H12ClNO3.Na/c17-12-5-3-11(4-6-12)16-18-13-9-10(2-8-15(19)20)1-7-14(13)21-16;/h1,3-7,9H,2,8H2,(H,19,20);/q;+1/p-1


name: 2-[3-[(4-chlorobenzoyl)amino]-4-hydroxyphenyl]propionic acid
cas: 51234-97-0
dtxsid: DTXSID00965529
formula: C16H14ClNO4
inchikey: CVXCGRGLUOUZIE-UHFFFAOYSA-N
norman_susdat_id: NS00056765
pubchem_cid: 3016632
smiles: O=C(O)C(C1=CC=C(O)C(=C1)NC(=O)C2=CC=C(Cl)C=C2)C
inchi:
InChI=1/C16H14ClNO4/c1-9(16(21)22)11-4-7-14(19)13(8-11)18-15(20)10-2-5-12(17)6-3-10/h2-9,19H,1H3,(H,18,20)(H,21,22)


name: C.I.Disperse Yellow 42
cas: 5124-25-4
chemspiderid: 19933
dtxsid: DTXSID8052148
formula: C18H15N3O4S1
inchikey: BBFRYSKTTHYWQZ-UHFFFAOYSA-N
norman_susdat_id: NS00006007
pubchem_cid: 21201
smiles: [O-][N+](=O)c1cc(ccc1Nc1ccccc1)S(=O)(=O)Nc1ccccc1
inchi:
InChI=1S/C18H15N3O4S/c22-21(23)18-13-16(26(24,25)20-15-9-5-2-6-10-15)11-12-17(18)19-14-7-3-1-4-8-14/h1-13,19-20H


name: 6-chloro-4-[2-(diethylamino)ethyl]-2H-1,4-benzoxazin-3(4H)-one monohydrochloride
cas: 51244-42-9
dtxsid: DTXSID80199249
formula: C14H19ClN2O2
inchikey: WAIXCVQVKNMSPB-UHFFFAOYSA-N
norman_susdat_id: NS00056859
pubchem_cid: 6452381
smiles: Cl.O=C1N(C2=CC(Cl)=CC=C2OC1)CCN(CC)CC
inchi:
InChI=1/C14H19ClN2O2.ClH/c1-3-16(4-2)7-8-17-12-9-11(15)5-6-13(12)19-10-14(17)18;/h5-6,9H,3-4,7-8,10H2,1-2H3;1H


cas: 51248-32-9
formula: C15H30O4
norman_susdat_id: NS00101291
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with 1,2,3-propanetriol monododecanoate (2:1)


cas: 51248-73-8
chemspiderid: 21161403
dtxsid: DTXSID8068626
formula: C23H25Cl1N6O6
inchikey: KKDFDCUNVXQWKF-UHFFFAOYSA-N
norman_susdat_id: NS00032242
pubchem_cid: 171006
smiles: COCCOC(=O)CCN(CCC#N)c1cc(NC(=O)C)c(cc1)N=Nc1c(Cl)cc(cc1)[N+](=O)[O-]
name:
.beta.-Alanine, N-[3-(acetylamino)-4-[(2-chloro-4-nitrophenyl)azo]phenyl]-N-(2-cyanoethyl)-, 2-methoxyethyl ester

inchi:
InChI=1S/C23H25ClN6O6/c1-16(31)26-22-15-17(29(10-3-9-25)11-8-23(32)36-13-12-35-2)4-7-21(22)28-27-20-6-5-18(30(33)34)14-19(20)24/h4-7,14-15H,3,8,10-13H2,1-2H3,(H,26,31)/b28-27-


name: 1-(Butylamino)cyclohexylphosphonic acid dibutyl ester
cas: 51249-05-9
chemspiderid: 36543
dtxsid: DTXSID30199259
formula: C18H38N1O3P1
inchikey: NMBXMBCZBXUXAM-UHFFFAOYSA-N
norman_susdat_id: NS00022267
pubchem_cid: 39966
smiles: CCCCNC1(CCCCC1)P(=O)(OCCCC)OCCCC
inchi:
InChI=1S/C18H38NO3P/c1-4-7-15-19-18(13-11-10-12-14-18)23(20,21-16-8-5-2)22-17-9-6-3/h19H,4-17H2,1-3H3


name: 1-(2-ethylhexyl)-1,2-dihydro-6-hydroxy-4-methyl-5-[(2-nitrophenyl)azo]-2-oxonicotinonitrile
cas: 51249-07-1
formula: C21H26N5O4
inchikey: JPHFTJOCDPFXGY-UHFFFAOYSA-N
norman_susdat_id: NS00058265
pubchem_cid: NA
smiles: N#CC=1C(=O)N(C(O)=C(N=NC=2C=CC=CC2[N+](=O)[O-])C1C)CC(CC)CCCC
inchi:
InChI=1/C21H25N5O4/c1-4-6-9-15(5-2)13-25-20(27)16(12-22)14(3)19(21(25)28)24-23-17-10-7-8-11-18(17)26(29)30/h7-8,10-11,15,28H,4-6,9,13H2,1-3H3


name: 9,10-Dibromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
cas: 51249-63-9
dtxsid: DTXSID20895278
formula: C10H3Br2F17
inchikey: ZYFLRTOFRKYGGJ-UHFFFAOYSA-N
norman_susdat_id: NS00109666
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)CBr
inchi:
InChI=1/C10H3Br2F17/c11-1-2(12)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)29/h2H,1H2


name: 2-Bromo-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodec-1-ene
cas: 51249-65-1
dtxsid: DTXSID10895388
formula: C10H2BrF17
inchikey: KYXQAESZJQBCRU-UHFFFAOYSA-N
norman_susdat_id: NS00109335
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)=C
inchi:
InChI=1S/C10H2BrF17/c1-2(11)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)28/h1H2


name: (5E)-1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,11,11,12,12,12-Docosafluorododec-5-ene
cas: 51249-66-2
dtxsid: DTXSID10896678
formula: C12H2F22
inchikey: NNVSZWKJFYBJPR-OWOJBTEDSA-N
norman_susdat_id: NS00109445
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H2F22/c13-3(14,1-2-4(15,16)6(19,20)9(25,26)11(29,30)31)5(17,18)7(21,22)8(23,24)10(27,28)12(32,33)34/h1-2H/b2-1+


name: trans-1,2-Bis(perfluorohexyl)ethylene
cas: 51249-67-3
chemspiderid: 110755
dtxsid: DTXSID40880444
formula: C14H2F26
inchikey: SFEKJPRYZMFTFH-OWOJBTEDSA-N
norman_susdat_id: NS00019104
pubchem_cid: 5702909
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14H2F26/c15-3(16,5(19,20)7(23,24)9(27,28)11(31,32)13(35,36)37)1-2-4(17,18)6(21,22)8(25,26)10(29,30)12(33,34)14(38,39)40/h1-2H/b2-1+


cas: 51249-68-4
dtxsid: DTXSID00896687
formula: C16H2F30
inchikey: JISMRVMIFFWXIX-OWOJBTEDSA-N
norman_susdat_id: NS00109080
name:
(7E)-1,1,1,2,2,3,3,4,4,5,5,6,6,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-Triacontafluorohexadec-7-ene

inchi:
InChI=1S/C16H2F30/c17-3(18,1-2-4(19,20)6(23,24)8(27,28)11(33,34)13(37,38)15(41,42)43)5(21,22)7(25,26)9(29,30)10(31,32)12(35,36)14(39,40)16(44,45)46/h1-2H/b2-1+

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


name: (5E)-1,1,1,2,2,3,3,4,4,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Hexacosafluorotetradec-5-ene
cas: 51249-69-5
dtxsid: DTXSID20896684
formula: C14H2F26
inchikey: FFKSEFSHRPFWNW-OWOJBTEDSA-N
norman_susdat_id: NS00109790
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14H2F26/c15-3(16,1-2-4(17,18)6(21,22)11(31,32)13(35,36)37)5(19,20)7(23,24)8(25,26)9(27,28)10(29,30)12(33,34)14(38,39)40/h1-2H/b2-1+


cas: 51249-70-8
dtxsid: DTXSID50896692
formula: C18H2F34
inchikey: COSIKBRYNURQMV-OWOJBTEDSA-N
norman_susdat_id: NS00110817
name:
(9E)-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,18-Tetratriacontafluorooctadec-9-ene

inchi:
InChI=1S/C18H2F34/c19-3(20,5(23,24)7(27,28)9(31,32)11(35,36)13(39,40)15(43,44)17(47,48)49)1-2-4(21,22)6(25,26)8(29,30)10(33,34)12(37,38)14(41,42)16(45,46)18(50,51)52/h1-2H/b2-1+

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=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Lithium icosanoate
cas: 51250-21-6
formula: C20H40O2.Li
inchikey: ZBLQKJWIDYWXJF-UHFFFAOYSA-M
norman_susdat_id: NS00088792
smiles: [Li+].CCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C20H40O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2-19H2,1H3,(H,21,22);/q;+1/p-1


name: 11-ß,21-dihydroxypregna-1,4,17(20)-trien-3-one
cas: 51259-83-7
formula: C21H28O3
inchikey: FIMYJWIQTVIDQB-QMERZLORSA-N
norman_susdat_id: NS00057387
pubchem_cid: 13269074
smiles: O=C1C=CC2(C(=C1)CCC3C4CCC(=CCO)C4(C)CC(O)C32)C
inchi:
InChI=1/C21H28O3/c1-20-9-7-15(23)11-14(20)3-5-16-17-6-4-13(8-10-22)21(17,2)12-18(24)19(16)20/h7-9,11,16-19,22,24H,3-6,10,12H2,1-2H3


cas: 51263-08-2
inchikey: UZNHKBFIBYXPDV-UHFFFAOYSA-N
norman_susdat_id: NS00078339
smiles: [Cl-].CC(=C)C(=O)NCCC[N+](C)(C)C
name:
sodium hydrogen [6R-(6α,7β)]-3-(acetoxymethyl)-7-[(5-amino-5-carboxylato-1-oxopentyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate


name: Amsacrine
cas: 51264-14-3
chebiid: CHEBI:2687
chemspiderid: 2094
dtxsid: DTXSID4022604
formula: C21H19N3O3S1
inchikey: XCPGHVQEEXUHNC-UHFFFAOYSA-N
norman_susdat_id: NS00008525
pubchem_cid: 2179
smiles: COc1cc(NS(C)(=O)=O)ccc1Nc1c2ccccc2nc2ccccc12
inchi:
InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)


name: 1,1'-(1,3-phenylene)bis[3-methylpyrrolidine-2,5-dione]
cas: 51265-22-6
dtxsid: DTXSID30965557
formula: C16H16N2O4
inchikey: WVUFVHFNYVURHA-UHFFFAOYSA-N
norman_susdat_id: NS00057291
pubchem_cid: 6452389
smiles: O=C1N(C2=CC=CC(=C2)N3C(=O)CC(C3=O)C)C(=O)C(C)C1
inchi:
InChI=1/C16H16N2O4/c1-9-6-13(19)17(15(9)21)11-4-3-5-12(8-11)18-14(20)7-10(2)16(18)22/h3-5,8-10H,6-7H2,1-2H3


name: Ethylbis(hydroxyethyl)(octadecyl)ammonium ethyl sulphate
cas: 51277-02-2
dtxsid: DTXSID8068628
formula: C24H52NO2
inchikey: WHMQSTCWJQZGEY-UHFFFAOYSA-M
norman_susdat_id: NS00058266
pubchem_cid: NA
smiles: O=S(=O)([O-])OCC.OC(C)[N+](CC)(CCCCCCCCCCCCCCCCCC)C(O)C
inchi:
InChI=1/C24H52NO2.C2H6O4S/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25(6-2,23(3)26)24(4)27;1-2-6-7(3,4)5/h23-24,26-27H,5-22H2,1-4H3;2H2,1H3,(H,3,4,5)/q+1;/p-1


name: Titanium(4+) octadecan-1-olate
cas: 5128-29-0
dtxsid: DTXSID2063711
formula: C10H22O
inchi: InChI=1/8C10H21O.2Ti/c8*1-2-3-4-5-6-7-8-9-10-11;;/h8*2-10H2,1H3;;/q8*-1;2*+4
inchikey: GCOCRNVKQANPII-UHFFFAOYSA-N
norman_susdat_id: NS00044672
pubchem_cid: 8174
smiles:
[Ti+4].[Ti+4].[O-]CCCCCCCCCC.[O-]CCCCCCCCCC.[O-]CCCCCCCCCC.[O-]CCCCCCCCCC.[O-]CCCCCCCCCC.[O-]CCCCCCCCCC.[O-]CCCCCCCCCC.[O-]CCCCCCCCCC


name: Bismuth (3+) oleate
cas: 5128-95-0
formula: C54H99BiO6
inchikey: UPYRRDBDKMMVRX-FLONPZDISA-K
norman_susdat_id: NS00081459
smiles: [BiH3+3].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/3C18H34O2.Bi.3H/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;;/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);;;;/q;;;+3;;;/p-3/r3C18H34O2.BiH3/c3*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h3*9-10H,2-8,11-17H2,1H3,(H,19,20);1H3/q;;;+3/p-3


name: Dodecyl 5,5-dibutyl-9-oxo-10-oxa-4,6-dithia-5-stannadocosanoate
cas: 51287-83-3
dtxsid: DTXSID40199280
formula: C38H76O4S2Sn
inchikey: MBSPJZOQJLVPBT-UHFFFAOYSA-L
norman_susdat_id: NS00058268
pubchem_cid: NA
smiles: O=C(OCCCCCCCCCCCC)CCS[Sn](SCCC(=O)OCCCCCCCCCCCC)(CCCC)CCCC
inchi:
InChI=1/2C15H30O2S.2C4H9.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-13-17-15(16)12-14-18;2*1-3-4-2;/h2*18H,2-14H2,1H3;2*1,3-4H2,2H3;/q;;;;+2/p-2/rC38H76O4S2Sn/c1-5-9-13-15-17-19-21-23-25-27-31-41-37(39)29-33-43-45(35-11-7-3,36-12-8-4)44-34-30-38(40)42-32-28-26-24-22-20-18-16-14-10-6-2/h5-36H2,1-4H3


name: Bis(dodecylthio)dimethylstannane
cas: 51287-84-4
dtxsid: DTXSID3052149
formula: C26H56S2Sn
inchikey: STFIYNYAZIBJNK-UHFFFAOYSA-L
norman_susdat_id: NS00056929
pubchem_cid: NA
smiles: S(CCCCCCCCCCCC)[Sn](SCCCCCCCCCCCC)(C)C
inchi:
InChI=1/2C12H26S.2CH3.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13;;;/h2*13H,2-12H2,1H3;2*1H3;/q;;;;+2/p-2/rC26H56S2Sn/c1-5-7-9-11-13-15-17-19-21-23-25-27-29(3,4)28-26-24-22-20-18-16-14-12-10-8-6-2/h5-26H2,1-4H3


name: (±)-2,3-bis(palmitoyloxy)propyl dihydrogen phosphate
cas: 5129-68-0
chebiid: CHEBI:78105
formula: C35H69O8P
inchikey: PORPENFLTBBHSG-UHFFFAOYSA-N
norman_susdat_id: NS00045440
pubchem_cid: 3099
smiles: O=C(OCC(OC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O)CCCCCCCCCCCCCCC
inchi:
InChI=1/C35H69O8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(36)41-31-33(32-42-44(38,39)40)43-35(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33H,3-32H2,1-2H3,(H2,38,39,40)


name: Perfluoromethyldecalin
cas: 51294-16-7
chemspiderid: 36551
dtxsid: DTXSID00871631
formula: C11F20
inchikey: LWRNQOBXRHWPGE-UHFFFAOYSA-N
norman_susdat_id: NS00019105
pubchem_cid: 39977
smiles: FC(F)(F)C1(F)C(F)(F)C(F)(F)C(F)(F)C2(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C12F
inchi:
InChI=1S/C11F20/c12-1-2(13,6(19,20)10(27,28)9(25,26)4(1,15)16)5(17,18)8(23,24)7(21,22)3(1,14)11(29,30)31


name: N,N',N'',N'''-tetraisopropyldiphosphoramide
cas: 513-00-8
dtxsid: DTXSID00965589
formula: C12H32N4O3P2
inchikey: IOIMDJXKIMCMIG-UHFFFAOYSA-N
norman_susdat_id: NS00043577
pubchem_cid: 5420
smiles: O=P(OP(=O)(NC(C)C)NC(C)C)(NC(C)C)NC(C)C
inchi:
InChI=1/C12H32N4O3P2/c1-9(2)13-20(17,14-10(3)4)19-21(18,15-11(5)6)16-12(7)8/h9-12H,1-8H3,(H2,13,14,17)(H2,15,16,18)


name: cis-(±)-3-ethyl-1,3,4,6,7,11b-hexahydro-9,10-dimethoxybenzo[a]quinolizin-2-one
cas: 51300-04-0
chebiid: CHEBI:79434
formula: C17H23NO3
inchikey: BOBCQOOZINHVMK-UHFFFAOYSA-N
norman_susdat_id: NS00057389
pubchem_cid: 241545
smiles: O=C1CC2C3=CC(OC)=C(OC)C=C3CCN2CC1CC
inchi:
InChI=1/C17H23NO3/c1-4-11-10-18-6-5-12-7-16(20-2)17(21-3)8-13(12)14(18)9-15(11)19/h7-8,11,14H,4-6,9-10H2,1-3H3


name: N-octadecyl-4,6-bis(allyloxy)-1,3,5-triazin-2-amine
cas: 51305-29-4
dtxsid: DTXSID80199305
formula: C27H48N4O2
inchikey: ZRNQZNVHSWATQN-UHFFFAOYSA-N
norman_susdat_id: NS00058271
pubchem_cid: 6452406
smiles: N=1C(=NC(=NC1OCC=C)NCCCCCCCCCCCCCCCCCC)OCC=C
inchi:
InChI=1/C27H48N4O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28-25-29-26(32-23-5-2)31-27(30-25)33-24-6-3/h5-6H,2-4,7-24H2,1H3,(H,28,29,30,31)


name: Butyl p-tert-butylbenzyl 3-pyridylimidodithiocarbonate
cas: 51308-54-4
dtxsid: DTXSID70866190
formula: C21H28N2S2
inchikey: ZZVVDIVWGXTDRQ-UHFFFAOYSA-N
norman_susdat_id: NS00058272
pubchem_cid: 39978
smiles: N=1C=CC=C(N=C(SCC2=CC=C(C=C2)C(C)(C)C)SCCCC)C1
inchi:
InChI=1/C21H28N2S2/c1-5-6-14-24-20(23-19-8-7-13-22-15-19)25-16-17-9-11-18(12-10-17)21(2,3)4/h7-13,15H,5-6,14,16H2,1-4H3


cas: 5131-70-4
chemspiderid: 4788511
dtxsid: DTXSID50891824
formula: C40H44N12O16S4
inchikey: NCIZQSIIFQYLMW-UHFFFAOYSA-N
norman_susdat_id: NS00040880
pubchem_cid: 6042296
name:
4,4'-Bis[[4''-[bis(2'''-hydroxyethyl)amino]-6''-[(3'''-sulfophenyl)-amino]-1'',3'',5''-triazin-2''-yl]amino]-2,2'-stilbenedisulfonic acid

inchi:
InChI=1S/C40H44N12O16S4/c53-17-13-51(14-18-54)39-47-35(41-27-3-1-5-31(21-27)69(57,58)59)45-37(49-39)43-29-11-9-25(33(23-29)71(63,64)65)7-8-26-10-12-30(24-34(26)72(66,67)68)44-38-46-36(48-40(50-38)52(15-19-55)16-20-56)42-28-4-2-6-32(22-28)70(60,61)62/h1-12,21-24,53-56H,13-20H2,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H2,41,43,45,47,49)(H2,42,44,46,48,50)

smiles:
OCCN(CCO)c1nc(Nc2cccc(c2)S(O)(=O)=O)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5cccc(c5)S(O)(=O)=O)nc(n4)N(CCO)CCO)cc3S(O)(=O)=O)c(c2)S(O)(=O)=O)n1


name: Nitroresorcinol, lead salt
cas: 51317-24-9
formula: C6H5NO4.xPb
inchikey: NBFVKHBJRZVOSZ-UHFFFAOYSA-N
norman_susdat_id: NS00088402
smiles: [Pb].O=[N+]([O-])\C\1=C(/O)\C=C/C=C/1/O
inchi:
InChI=1/C6H5NO4.Pb.2H/c8-4-2-1-3-5(9)6(4)7(10)11;;;/h1-3,8-9H;;;/q;+4;;/rC6H5NO4.H2Pb/c8-4-2-1-3-5(9)6(4)7(10)11;/h1-3,8-9H;1H2/q;+4


name: Didodecyl oxalate
cas: 5132-19-4
chemspiderid: 71145
dtxsid: DTXSID00199322
formula: C26H50O4
inchikey: KYBDAUNESKLXAZ-UHFFFAOYSA-N
norman_susdat_id: NS00022268
pubchem_cid: 78809
smiles: CCCCCCCCCCCCOC(=O)C(=O)OCCCCCCCCCCCC
inchi:
InChI=1S/C26H50O4/c1-3-5-7-9-11-13-15-17-19-21-23-29-25(27)26(28)30-24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3


name: Sparfosic Acid
cas: 51321-79-0
dtxsid: DTXSID80199325
formula: C6H10NO8P
inchikey: ZZKNRXZVGOYGJT-VKHMYHEASA-N
norman_susdat_id: NS00068669
pubchem_cid: 39981
smiles: O=C(O)C[C@H](NC(=O)CP(=O)(O)O)C(=O)O
inchi:
InChI=1S/C6H10NO8P/c8-4(2-16(13,14)15)7-3(6(11)12)1-5(9)10/h3H,1-2H2,(H,7,8)(H,9,10)(H,11,12)(H2,13,14,15)/t3-/m0/s1


name: Diethanolamine distearate stearamide
cas: 51325-39-4
chemspiderid: 4954846
dtxsid: DTXSID20199329
formula: C58H113N1O5
inchikey: PWKCDSIZVIREPL-UHFFFAOYSA-N
norman_susdat_id: NS00014104
pubchem_cid: 6452413
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCCCCCCCCCCCC)C(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C58H113NO5/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-56(60)59(52-54-63-57(61)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)53-55-64-58(62)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-55H2,1-3H3


name: Propanedinitrile, [2-[2-[4-(dimethylamino)phenyl]ethenyl]-6-methyl-4H-pyran-4-ylidene]-
cas: 51325-91-8
chebiid: CHEBI:52011
chemspiderid: 599702
dtxsid: DTXSID2068632
formula: C19H17N3O1
inchikey: YLYPIBBGWLKELC-UHFFFAOYSA-N
norman_susdat_id: NS00032256
pubchem_cid: 93262
smiles: CN(C)c1ccc(/C=C/C2=CC(=C(C#N)C#N)C=C(C)O2)cc1
inchi:
InChI=1S/C19H17N3O/c1-14-10-16(17(12-20)13-21)11-19(23-14)9-6-15-4-7-18(8-5-15)22(2)3/h4-11H,1-3H3/b9-6+


name: Soyasaponin I
cas: 51330-27-9
chebiid: CHEBI:9211
chemspiderid: 108898
formula: C48H78O18
inchikey: PTDAHAWQAGSZDD-IOVCITQVSA-N
norman_susdat_id: NS00015669
pubchem_cid: 122097
inchi:
InChI=1S/C48H78O18/c1-21-29(52)31(54)35(58)40(61-21)65-37-32(55)30(53)24(19-49)62-41(37)66-38-34(57)33(56)36(39(59)60)64-42(38)63-28-12-13-45(5)25(46(28,6)20-50)11-14-48(8)26(45)10-9-22-23-17-43(2,3)18-27(51)44(23,4)15-16-47(22,48)7/h9,21,23-38,40-42,49-58H,10-20H2,1-8H3,(H,59,60)/t21-,23-,24+,25+,26+,27+,28-,29-,30-,31+,32-,33-,34-,35+,36-,37+,38+,40-,41-,42+,44+,45-,46+,47+,48+/m0/s1

smiles:
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3C(C(C(OC3OC4CCC5(C(C4(C)CO)CCC6(C5CC=C7C6(CCC8(C7CC(CC8O)(C)C)C)C)C)C)C(=O)O)O)O)CO)O)O)O)O)O


name: Budesonide
cas: 51333-22-3
chebiid: CHEBI:3207
chemspiderid: 4444479
dtxsid: DTXSID8020202
formula: C25H34O6
inchikey: VOVIALXJUBGFJZ-KWVAZRHASA-N
norman_susdat_id: NS00000099
pubchem_cid: 5281004
smiles: CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@@]5([C@H]4[C@H](C[C@@]3([C@@]2(O1)C(=O)CO)C)O)C
inchi:
InChI=1S/C25H34O6/c1-4-5-21-30-20-11-17-16-7-6-14-10-15(27)8-9-23(14,2)22(16)18(28)12-24(17,3)25(20,31-21)19(29)13-26/h8-10,16-18,20-22,26,28H,4-7,11-13H2,1-3H3/t16-,17-,18-,20+,21?,22+,23-,24-,25+/m0/s1


name: Tetrakis(2,3-epoxypropyl) cyclohexane-1,1,3,3-tetrapropionate
cas: 51334-03-3
dtxsid: DTXSID50965610
formula: C30H44O12
inchikey: HOPBTWCXHDBJFB-UHFFFAOYSA-N
norman_susdat_id: NS00056457
pubchem_cid: 6452415
smiles: O=C(OCC1OC1)CCC2(CCC(=O)OCC3OC3)CCCC(CCC(=O)OCC4OC4)(CCC(=O)OCC5OC5)C2
inchi:
InChI=1/C30H44O12/c31-25(39-16-21-12-35-21)2-8-29(9-3-26(32)40-17-22-13-36-22)6-1-7-30(20-29,10-4-27(33)41-18-23-14-37-23)11-5-28(34)42-19-24-15-38-24/h21-24H,1-20H2


cas: 51344-62-8
formula: C24H39NO2
norman_susdat_id: NS00101220
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[[[[(1R,4aS,10aR)-1,2,3,4,4a,9,10,10a-octahydro-1,4a-dimethyl-7-(1-methylethyl)-1-phenanthrenyl]methyl]imino]di-2,1-ethanediyl]bis[.omega.-hydroxy-


name: 2-[2-(cyclohexylimino)-7-(diethylamino)-2H-1-benzopyran-3-yl]quinazolin-4(1H)-one
cas: 51347-64-9
formula: C27H30N4O2
inchikey: BTEBLYWASRSEID-UHFFFAOYSA-N
norman_susdat_id: NS00056549
pubchem_cid: NA
smiles: O=C1N=C(NC=2C=CC=CC12)C3=CC=4C=CC(=CC4OC3=NC5CCCCC5)N(CC)CC
inchi:
InChI=1/C27H30N4O2/c1-3-31(4-2)20-15-14-18-16-22(25-29-23-13-9-8-12-21(23)26(32)30-25)27(33-24(18)17-20)28-19-10-6-5-7-11-19/h8-9,12-17,19H,3-7,10-11H2,1-2H3,(H,29,30,32)


name: Tetramethrin Isomer 1
cas: 51348-90-4
chemspiderid: 5302635
dtxsid: DTXSID6058506
formula: C19H25NO4
inchikey: CXBMCYHAMVGWJQ-GJZGRUSLSA-N
norman_susdat_id: NS00066963
pubchem_cid: 6928268
smiles: C/C(C)=C/[C@H]1[C@@H](C(OCN2C(C3=C(CCCC3)C2=O)=O)=O)C1(C)C
inchi:
InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3/t14-,15-/m0/s1


name: 5-nitro-1H-benzimidazole, sodium salt
cas: 51349-86-1
formula: C7H5N3O2.Na
inchikey: QDTXMHPOJKYAJZ-UHFFFAOYSA-N
norman_susdat_id: NS00088404
smiles: [Na]n1cnc2cc(ccc12)N(=O)=O
inchi:
InChI=1/C7H4N3O2.Na/c11-10(12)5-1-2-6-7(3-5)9-4-8-6;/h1-4H;/q-1;+1/rC7H4N3NaO2/c11-9-4-8-6-3-5(10(12)13)1-2-7(6)9/h1-4H


name: Adenosine 5'-(toluene-4-sulphonate)
cas: 5135-30-8
formula: C17H19N5O6S
inchikey: CAXLRAROZXYOHH-LSCFUAHRSA-N
norman_susdat_id: NS00045432
pubchem_cid: 2724351
smiles: O=S(=O)(OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O)C4=CC=C(C=C4)C
inchi:
InChI=1/C17H19N5O6S/c1-9-2-4-10(5-3-9)29(25,26)27-6-11-13(23)14(24)17(28-11)22-8-21-12-15(18)19-7-20-16(12)22/h2-5,7-8,11,13-14,17,23-24H,6H2,1H3,(H2,18,19,20)


name: Ehna
cas: 51350-19-7
chebiid: CHEBI:63059
dtxsid: DTXSID70110044
formula: C14H23N5O
inchikey: IOSAAWHGJUZBOG-WDEREUQCSA-N
norman_susdat_id: NS00068667
pubchem_cid: 149790
smiles: CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc21
inchi:
InChI=1S/C14H23N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20H,3-7H2,1-2H3,(H2,15,16,17)/t10-,11+/m0/s1


name: 2-[(dimethylamino)(3-methoxyphenyl)methyl]cyclohexan-1-ol
cas: 51356-54-8
dtxsid: DTXSID20965627
formula: C16H25NO2
inchikey: YGRVVAVXEZIIDQ-UHFFFAOYSA-N
norman_susdat_id: NS00056044
pubchem_cid: 3016645
smiles: OC1CCCCC1C(C=2C=CC=C(OC)C2)N(C)C
inchi:
InChI=1/C16H25NO2/c1-17(2)16(14-9-4-5-10-15(14)18)12-7-6-8-13(11-12)19-3/h6-8,11,14-16,18H,4-5,9-10H2,1-3H3


cas: 51357-74-5
formula: C40H29Cl2N15O19S6
inchikey: XYDRRDJXSZKEAP-UHFFFAOYSA-N
norman_susdat_id: NS00088360
name:
4-amino-3,6-bis[[4-[[4-chloro-6-[(3-sulphophenyl)amino]-1,3,5-triazin-2-yl]amino]-2-sulphophenyl]azo]-5-hydroxynaphthalene-2,7-disulphonic acid

inchi:
InChI=1/C40H29Cl2N15O19S6/c41-35-48-37(44-18-3-1-5-22(13-18)77(59,60)61)52-39(50-35)46-20-7-9-24(26(15-20)79(65,66)67)54-56-32-28(81(71,72)73)11-17-12-29(82(74,75)76)33(34(58)30(17)31(32)43)57-55-25-10-8-21(16-27(25)80(68,69)70)47-40-51-36(42)49-38(53-40)45-19-4-2-6-23(14-19)78(62,63)64/h1-16,58H,43H2,(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H,71,72,73)(H,74,75,76)(H2,44,46,48,50,52)(H2,45,47,49,51,53)

smiles:
OS(=O)(=O)c1cccc(c1)Nc2nc(nc(Cl)n2)Nc8ccc(N=Nc7c(cc6cc(c(N=Nc3ccc(cc3S(O)(=O)=O)Nc5nc(Nc4cccc(c4)S(O)(=O)=O)nc(Cl)n5)c(O)c6c7N)S(O)(=O)=O)S(O)(=O)=O)c(c8)S(O)(=O)=O


name: N,N'-Ethylenebismyristamide
cas: 5136-46-9
chemspiderid: 71146
dtxsid: DTXSID50199372
formula: C30H60N2O2
inchikey: SZQRSDJOAHBRSI-UHFFFAOYSA-N
norman_susdat_id: NS00032260
pubchem_cid: 78810
smiles: CCCCCCCCCCCCCC(=O)NCCNC(=O)CCCCCCCCCCCCC
inchi:
InChI=1S/C30H60N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-29(33)31-27-28-32-30(34)26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3,(H,31,33)(H,32,34)


name: N,N'-Methylenebishexadecan-1-amide
cas: 5136-47-0
chemspiderid: 71147
dtxsid: DTXSID10199373
formula: C33H66N2O2
inchikey: ISKXQFPGZNHRQV-UHFFFAOYSA-N
norman_susdat_id: NS00032261
pubchem_cid: 78811
smiles: CCCCCCCCCCCCCCCC(=O)NCNC(=O)CCCCCCCCCCCCCCC
inchi:
InChI=1S/C33H66N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-32(36)34-31-35-33(37)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-31H2,1-2H3,(H,34,36)(H,35,37)


name: N-(((1-Oxohexadecyl)amino)methyl)stearamide
cas: 5136-48-1
chemspiderid: 71148
dtxsid: DTXSID70199374
formula: C35H70N2O2
inchikey: XONGEJJHXSSSEK-UHFFFAOYSA-N
norman_susdat_id: NS00032262
pubchem_cid: 78812
smiles: CCCCCCCCCCCCCCCCCC(=O)NCNC(=O)CCCCCCCCCCCCCCC
inchi:
InChI=1S/C35H70N2O2/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-35(39)37-33-36-34(38)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h3-33H2,1-2H3,(H,36,38)(H,37,39)


name: 1,2,3-tris(2,3-epoxypropoxy)benzene
cas: 5136-53-8
dtxsid: DTXSID10965631
formula: C15H18O6
inchikey: CAXSADPQQPXXTP-UHFFFAOYSA-N
norman_susdat_id: NS00044703
pubchem_cid: 107373
smiles: O(C1=CC=CC(OCC2OC2)=C1OCC3OC3)CC4OC4
inchi:
InChI=1/C15H18O6/c1-2-13(19-7-10-4-16-10)15(21-9-12-6-18-12)14(3-1)20-8-11-5-17-11/h1-3,10-12H,4-9H2


name: Sodium N-methyl-N-(1-oxooctadecyl)aminoacetate
cas: 5136-55-0
formula: C21H41NO3.Na
inchikey: URBCOZYCCAFMJK-UHFFFAOYSA-M
norman_susdat_id: NS00081492
smiles: CCCCCCCCCCCCCCCCCC(=O)N(C)CC(=O)O[Na]
inchi:
InChI=1/C21H41NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(23)22(2)19-21(24)25;/h3-19H2,1-2H3,(H,24,25);/q;+1/p-1


name: Iron stearate
cas: 5136-76-5
formula: C18H36O2.xFe
inchikey: FRVCGRDGKAINSV-UHFFFAOYSA-L
norman_susdat_id: NS00081493
smiles: [Fe+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H36O2.Fe/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2


name: Diisodecyl phenyl phosphate
cas: 51363-64-5
chemspiderid: 36562
dtxsid: DTXSID2052150
formula: C26H47O4P1
inchikey: JTNKWPDPEXRFOV-UHFFFAOYSA-N
norman_susdat_id: NS00020654
pubchem_cid: 39995
smiles: CC(C)CCCCCCCOP(=O)(OCCCCCCCC(C)C)Oc1ccccc1
inchi:
InChI=1S/C26H47O4P/c1-24(2)18-12-7-5-9-16-22-28-31(27,30-26-20-14-11-15-21-26)29-23-17-10-6-8-13-19-25(3)4/h11,14-15,20-21,24-25H,5-10,12-13,16-19,22-23H2,1-4H3


name: 2-ethylhexyl nonyl sebacate
cas: 5137-28-0
dtxsid: DTXSID40965669
formula: C27H52O4
inchikey: NWWSFSWXVYZYQB-UHFFFAOYSA-N
norman_susdat_id: NS00045433
pubchem_cid: 107374
smiles: O=C(OCCCCCCCCC)CCCCCCCCC(=O)OCC(CC)CCCC
inchi:
InChI=1/C27H52O4/c1-4-7-9-10-13-16-19-23-30-26(28)21-17-14-11-12-15-18-22-27(29)31-24-25(6-3)20-8-5-2/h25H,4-24H2,1-3H3


name: Radicicol
cas: 5137-90-6
chebiid: CHEBI:556075
chemspiderid: 20137057
dtxsid: DTXSID2042692
formula: C18H17Cl1O6
inchikey: WYZWZEOGROVVHK-GTMNPGAYSA-N
norman_susdat_id: NS00011658
pubchem_cid: 6323491
smiles: C[C@@H]1C[C@@H]2[C@H](O2)/C=CC=CC(=O)Cc3c(c(cc(c3Cl)O)O)C(=O)O1
inchi:
InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1


name: (S)-16a,17-(butylidenedioxy)-11ß,21-dihydroxypregna-1,4-diene-3,20-dione
cas: 51372-28-2
formula: C25H34O6
inchikey: PTKCJHKEPGKYJI-UHFFFAOYSA-N
norman_susdat_id: NS00057352
pubchem_cid: NA
smiles: O=C1C=CC2(C(=C1)CCC3C4CC5OCCCCOC5(C(=O)CO)C4(C)CC(O)C32)C
inchi:
InChI=1/C25H34O6/c1-23-8-7-16(27)11-15(23)5-6-17-18-12-21-25(20(29)14-26,31-10-4-3-9-30-21)24(18,2)13-19(28)22(17)23/h7-8,11,17-19,21-22,26,28H,3-6,9-10,12-14H2,1-2H3


name: Trichlorododecylstannane
cas: 51375-45-2
formula: C12H25Cl3Sn
inchikey: QONBXEOLXRAITN-UHFFFAOYSA-K
norman_susdat_id: NS00056550
pubchem_cid: 11494910
smiles: Cl[Sn](Cl)(Cl)CCCCCCCCCCCC
inchi:
InChI=1/C12H25.3ClH.Sn/c1-3-5-7-9-11-12-10-8-6-4-2;;;;/h1,3-12H2,2H3;3*1H;/q;;;;+3/p-3/rC12H25Cl3Sn/c1-2-3-4-5-6-7-8-9-10-11-12-16(13,14)15/h2-12H2,1H3


name: 2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepinium (p-tolylsulphonate)
cas: 51376-18-2
formula: C9H16N2.C7H8O3S
inchikey: VAIAHWBLSPENDF-UHFFFAOYSA-N
norman_susdat_id: NS00088406
smiles: Cc1ccc(cc1)S(=O)(=O)[O-].C2CCC3=[N+](CC2)CCCN3
inchi:
InChI=1/C9H16N2.C7H8O3S/c1-2-5-9-10-6-4-8-11(9)7-3-1;1-6-2-4-7(5-3-6)11(8,9)10/h1-8H2;2-5H,1H3,(H,8,9,10)


name: Bis-(4-methylumbelliferyl)phosphate
cas: 51379-07-8
chemspiderid: 142792
dtxsid: DTXSID80199385
formula: C20H15O8P1
inchikey: FEGSOIMPQDYXJD-UHFFFAOYSA-N
norman_susdat_id: NS00032264
pubchem_cid: 162641
smiles: Cc1cc(=O)oc2c1ccc(OP(=O)(O)Oc1cc3c(cc1)c(C)cc(=O)o3)c2
inchi:
InChI=1S/C20H15O8P/c1-11-7-19(21)25-17-9-13(3-5-15(11)17)27-29(23,24)28-14-4-6-16-12(2)8-20(22)26-18(16)10-14/h3-10H,1-2H3,(H,23,24)


name: Abietic acid
cas: 514-10-3
chebiid: CHEBI:28987
dtxsid: DTXSID7022047
formula: C20H30O2
inchikey: RSWGJHLUYNHPMX-ONCXSQPRSA-N
norman_susdat_id: NS00075578
smiles: CC(C)C1=CC2=CC[C@@H]3[C@](C)(CCC[C@@]3(C)C(O)=O)[C@H]2CC1
inchi:
InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1


name: 3ß,14,16ß-trihydroxy-5ß-card-20(22)-enolide 16-formate
cas: 514-21-6
dtxsid: DTXSID20965708
formula: C24H34O6
inchikey: WPPUBSWJDJKYDK-QDLCSJEJSA-N
norman_susdat_id: NS00043557
pubchem_cid: 23616940
smiles: O=COC1CC2(O)C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C5=CC(=O)OC5
inchi:
InChI=1/C24H34O6/c1-22-7-5-16(26)10-15(22)3-4-18-17(22)6-8-23(2)21(14-9-20(27)29-12-14)19(30-13-25)11-24(18,23)28/h9,13,15-19,21,26,28H,3-8,10-12H2,1-2H3


name: Fludrocortisone acetate
cas: 514-36-3
chebiid: CHEBI:5102
chemspiderid: 196144
dtxsid: DTXSID2023062
formula: C23H31F1O6
inchikey: SYWHXTATXSMDSB-GSLJADNHSA-N
norman_susdat_id: NS00000578
pubchem_cid: 225609
smiles: CC(=O)OCC(=O)C1(CCC2C1(CC(C3(C2CCC4=CC(=O)CCC43C)F)O)C)O
inchi:
InChI=1S/C23H31FO6/c1-13(25)30-12-19(28)22(29)9-7-16-17-5-4-14-10-15(26)6-8-20(14,2)23(17,24)18(27)11-21(16,22)3/h10,16-18,27,29H,4-9,11-12H2,1-3H3/t16-,17-,18-,20-,21-,22-,23-/m0/s1


name: Isochlortetracycline
cas: 514-53-4
chemspiderid: 35767462
dtxsid: DTXSID20873798
formula: C22H23Cl1N2O8
inchikey: ZDCFZNSICAQKSV-UHFFFAOYSA-N
norman_susdat_id: NS00009796
pubchem_cid: 54738156
smiles: CN(C)C1C2CC(CC(=O)C2(O)C(O)=C(C(N)=O)C1=O)C1(C)OC(=O)c2c1c(Cl)ccc2O
inchi:
InChI=1S/C22H23ClN2O8/c1-21(15-10(23)4-5-11(26)13(15)20(31)33-21)8-6-9-16(25(2)3)17(28)14(19(24)30)18(29)22(9,32)12(27)7-8/h4-5,8-9,16,26,29,32H,6-7H2,1-3H3,(H2,24,30)


name: Normethandrone
cas: 514-61-4
chebiid: CHEBI:34896
chemspiderid: 10132
dtxsid: DTXSID4023383
formula: C19H28O2
inchikey: ZXSWTMLNIIZPET-ZOFHRBRSSA-N
norman_susdat_id: NS00032283
pubchem_cid: 5284597
smiles: C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
inchi:
InChI=1S/C19H28O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h11,14-17,21H,3-10H2,1-2H3/t14-,15+,16+,17-,18-,19-/m0/s1


name: Biperiden
cas: 514-65-8
chebiid: CHEBI:3112
chemspiderid: 2289
dtxsid: DTXSID6022680
formula: C21H29N1O1
inchikey: YSXKPIUOCJLQIE-UHFFFAOYSA-N
norman_susdat_id: NS00003936
pubchem_cid: 2381
smiles: OC(CCN1CCCCC1)(C1CC2CC1C=C2)c1ccccc1
inchi:
InChI=1S/C21H29NO/c23-21(19-7-3-1-4-8-19,11-14-22-12-5-2-6-13-22)20-16-17-9-10-18(20)15-17/h1,3-4,7-10,17-18,20,23H,2,5-6,11-16H2


name: Estriol succinate
cas: 514-68-1
chebiid: CHEBI:135790
chemspiderid: 10133
formula: C26H32O9
inchikey: VBRVDDFOBZNCPF-BRSFZVHSSA-N
norman_susdat_id: NS00032284
pubchem_cid: 10577
smiles: C[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1C[C@H]([C@@H]2OC(=O)CCC(=O)O)OC(=O)CCC(=O)O)O
inchi:
InChI=1S/C26H32O9/c1-26-11-10-17-16-5-3-15(27)12-14(16)2-4-18(17)19(26)13-20(34-23(32)8-6-21(28)29)25(26)35-24(33)9-7-22(30)31/h3,5,12,17-20,25,27H,2,4,6-11,13H2,1H3,(H,28,29)(H,30,31)/t17-,18-,19+,20-,25+,26+/m1/s1


name: Dithiazanine iodide
cas: 514-73-8
chebiid: CHEBI:228275
dtxsid: DTXSID8022955
formula: C23H23N2S2
inchikey: MNQDKWZEUULFPX-UHFFFAOYSA-M
norman_susdat_id: NS00043568
pubchem_cid: NA
smiles: [I-].S1C=2C=CC=CC2N(C1=CC=CC=CC=3SC=4C=CC=CC4[N+]3CC)CC
inchi:
InChI=1/C23H23N2S2.HI/c1-3-24-18-12-8-10-14-20(18)26-22(24)16-6-5-7-17-23-25(4-2)19-13-9-11-15-21(19)27-23;/h5-17H,3-4H2,1-2H3;1H/q+1;/p-1


name: Canthaxanthin
cas: 514-78-3
chemspiderid: 4444639
dtxsid: DTXSID0022727
formula: C40H52O2
inchikey: FDSDTBUPSURDBL-SHGOADQESA-N
norman_susdat_id: NS00013498
pubchem_cid: NA
smiles: CC(=CC=CC=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C)/C=C/C=C(C)/C=C/C2=C(C)C(=O)CCC2(C)C
inchi:
InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+


name: Torularhodin
cas: 514-92-1
formula: C40H52O2
inchikey: NESPPCWGYRQEJQ-UHFFFAOYSA-N
norman_susdat_id: NS00043569
pubchem_cid: 94165
smiles: O=C(O)C(=CC=CC(=CC=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C)C)C)C)C
inchi:
InChI=1/C40H52O2/c1-31(19-12-21-33(3)22-13-23-34(4)25-15-26-37(7)39(41)42)17-10-11-18-32(2)20-14-24-35(5)28-29-38-36(6)27-16-30-40(38,8)9/h10-15,17-26,28-29H,16,27,30H2,1-9H3,(H,41,42)


name: Monoacetylmorphine
cas: 5140-28-3
chebiid: CHEBI:1445
chemspiderid: 4397588
dtxsid: DTXSID30183774
formula: C19H21N1O4
inchikey: GMLREHXYJDLZOU-LEPYJNQMSA-N
norman_susdat_id: NS00018440
pubchem_cid: 5462504
smiles: CC(=O)OC1=C2C3=C(CC4C5C3(CCN4C)C(O2)C(C=C5)O)C=C1
inchi:
InChI=1S/C19H21NO4/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,7-9H2,1-2H3/t12-,13+,14-,18-,19-/m0/s1


name: Acetic acid, lead salt, basic
cas: 51404-69-4
formula: -
inchikey: PNZVFASWDSMJER-UHFFFAOYSA-N
norman_susdat_id: NS00088823
smiles: [Pb].CC(O)=O
inchi:
InChI=1/C2H4O2.Pb.2H/c1-2(3)4;;;/h1H3,(H,3,4);;;/q;+4;;/rC2H4O2.H2Pb/c1-2(3)4;/h1H3,(H,3,4);1H2/q;+4


name: FD&amp;C Green No. 2
cas: 5141-20-8
chebiid: CHEBI:87065
dtxsid: DTXSID8020672
formula: C37H37N2O9S3
inchikey: DGOBMKYRQHEFGQ-UHFFFAOYSA-L
norman_susdat_id: NS00045434
pubchem_cid: 21223
inchi:
InChI=1/C37H36N2O9S3.2Na/c1-3-38(25-27-7-5-9-35(23-27)50(43,44)45)32-17-11-29(12-18-32)37(31-15-21-34(22-16-31)49(40,41)42)30-13-19-33(20-14-30)39(4-2)26-28-8-6-10-36(24-28)51(46,47)48;;/h5-24H,3-4,25-26H2,1-2H3,(H2-,40,41,42,43,44,45,46,47,48);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC=C(C=C1)C(C2=CC=C(C=C2)N(CC3=CC=CC(=C3)S(=O)(=O)[O-])CC)=C4C=CC(C=C4)=[N+](CC5=CC=CC(=C5)S(=O)(=O)[O-])CC


name: Sodium 1-hydroxy-5-oxo-5H-pyrido[3,2-a]phenoxazine-3-carboxylate
cas: 51410-30-1
formula: C16H8N2O5.Na
inchikey: HDQXPMXHXZNPKE-UHFFFAOYSA-M
norman_susdat_id: NS00088449
smiles: [Na+].Oc1cc(nc2C(=O)C=C3Oc4ccccc4N=C3c12)C(=O)[O-]
inchi:
InChI=1/C16H8N2O5.Na/c19-9-5-8(16(21)22)18-14-10(20)6-12-15(13(9)14)17-7-3-1-2-4-11(7)23-12;/h1-6H,(H,18,19)(H,21,22);/q;+1/p-1


name: 1-O-a-D-glucopyranosyl-D-fructose
cas: 51411-23-5
dtxsid: DTXSID60965727
formula: C12H22O11
inchikey: NMELTECMHKKXLF-DGQJZECASA-N
norman_susdat_id: NS00056094
pubchem_cid: 162104
smiles: O=C(COC1OC(CO)C(O)C(O)C1O)C(O)C(O)C(O)CO
inchi:
InChI=1/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4,6-15,17-21H,1-3H2


cas: 51418-86-1
chemspiderid: 4513396
dtxsid: DTXSID2068636
formula: C20H14Br1N1O4
inchikey: UPPWYHBZBLCPDK-UHFFFAOYSA-N
norman_susdat_id: NS00032271
pubchem_cid: 5358227
smiles: CCOC(=O)c1c2c3c(cccc3)c(=O)c3c2c([nH]c1=O)c(C)cc3Br
name:
3H-Naphtho[1,2,3-de]quinoline-1-carboxylic acid, 6-bromo-2,7-dihydro-4-methyl-2,7-dioxo-, ethyl ester

inchi:
InChI=1S/C20H14BrNO4/c1-3-26-20(25)16-13-10-6-4-5-7-11(10)18(23)14-12(21)8-9(2)17(15(13)14)22-19(16)24/h4-8H,3H2,1-2H3,(H,22,24)


name: Sodium 3-[[4-[[4-(2-hydroxybutoxy)-3-methylphenyl]azo]-3-methoxyphenyl]azo]benzenesulphonate
cas: 51418-90-7
formula: C24H26N4O6S.Na
inchikey: BYTKSDCHPLKAPL-UHFFFAOYSA-M
norman_susdat_id: NS00088450
smiles: [Na+].COc2cc(ccc2N=Nc1cc(C)c(OCC(O)CC)cc1)N=Nc3cccc(c3)S([O-])(=O)=O
inchi:
InChI=1/C24H26N4O6S.Na/c1-4-20(29)15-34-23-11-9-18(12-16(23)2)27-28-22-10-8-19(14-24(22)33-3)26-25-17-6-5-7-21(13-17)35(30,31)32;/h5-14,20,29H,4,15H2,1-3H3,(H,30,31,32);/q;+1/p-1


name: Lithium 3-[[4-[[4-(2-hydroxybutoxy)-3-methylphenyl]azo]-3-methoxyphenyl]azo]benzenesulphonate
cas: 51418-91-8
dtxsid: DTXSID60885956
formula: C24H26N4O6S
inchikey: SWOVKQBHUDNJJN-UHFFFAOYSA-M
norman_susdat_id: NS00056095
pubchem_cid: 171038
smiles: [Li+].O=S(=O)([O-])C=1C=CC=C(N=NC2=CC=C(N=NC3=CC=C(OCC(O)CC)C(=C3)C)C(OC)=C2)C1
inchi:
InChI=1/C24H26N4O6S.Li/c1-4-20(29)15-34-23-11-9-18(12-16(23)2)27-28-22-10-8-19(14-24(22)33-3)26-25-17-6-5-7-21(13-17)35(30,31)32;/h5-14,20,29H,4,15H2,1-3H3,(H,30,31,32);/q;+1/p-1


name: 3-hydroxy-2-(3-hydroxy-2-quinolyl)-5-[(phenylsulphonyl)oxy]-1H-inden-1-one
cas: 51419-02-4
formula: C24H15NO6S
inchikey: KLZOMFUVNQCMBU-UHFFFAOYSA-N
norman_susdat_id: NS00056606
pubchem_cid: 3016660
smiles: O=C1C=2C=CC(OS(=O)(=O)C=3C=CC=CC3)=CC2C(O)=C1C4=NC=5C=CC=CC5C=C4O
inchi:
InChI=1/C24H15NO6S/c26-20-12-14-6-4-5-9-19(14)25-22(20)21-23(27)17-11-10-15(13-18(17)24(21)28)31-32(29,30)16-7-2-1-3-8-16/h1-13,26,28H


name: 4-((Phenylsulphonyl)oxy)phthalic acid
cas: 51419-12-6
chemspiderid: 2284576
dtxsid: DTXSID60199404
formula: C14H10O7S1
inchikey: HOWKEJQAUVTCTI-UHFFFAOYSA-N
norman_susdat_id: NS00032272
pubchem_cid: 3016661
smiles: OC(=O)c1c(cc(OS(=O)(=O)c2ccccc2)cc1)C(=O)O
inchi:
InChI=1S/C14H10O7S/c15-13(16)11-7-6-9(8-12(11)14(17)18)21-22(19,20)10-4-2-1-3-5-10/h1-8H,(H,15,16)(H,17,18)


name: Irisxanthone
cas: 51419-56-8
chebiid: CHEBI:5973
dtxsid: DTXSID70415162
formula: C20H20O11
inchikey: MTQVPZUZBBTLNO-HSLVGEKZSA-N
norman_susdat_id: NS00097614
smiles: COC1=C(C=CC2=C1OC3=CC(=C(C(=C3C2=O)O)[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O
inchi:
InChI=1S/C20H20O11/c1-29-19-7(22)3-2-6-13(24)12-9(30-18(6)19)4-8(23)11(15(12)26)20-17(28)16(27)14(25)10(5-21)31-20/h2-4,10,14,16-17,20-23,25-28H,5H2,1H3/t10-,14-,16+,17-,20+/m1/s1


name: (3ß)-3-acetoxyandrost-5-ene-17-carboxylic acid
cas: 51424-66-9
dtxsid: DTXSID80965744
formula: C22H32O4
inchikey: WVHKCBDRQIXZLC-CMGWBOTJSA-N
norman_susdat_id: NS00056607
pubchem_cid: 6452435
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C(C(=O)O)CCC34)C2(C)CC1)C
inchi:
InChI=1/C22H32O4/c1-13(23)26-15-8-10-21(2)14(12-15)4-5-16-17-6-7-19(20(24)25)22(17,3)11-9-18(16)21/h4,15-19H,5-12H2,1-3H3,(H,24,25)


name: Methyl 6-methylergoline-8a-carboxylate
cas: 5143-94-2
formula: C17H20N2O2
inchikey: OSKZYLPFYNARRX-NJZAAPMLSA-N
norman_susdat_id: NS00045956
pubchem_cid: 638251
smiles: O=C(OC)C1CN(C)C2CC3=CNC4=CC=CC(=C43)C2C1
inchi:
InChI=1/C17H20N2O2/c1-19-9-11(17(20)21-2)6-13-12-4-3-5-14-16(12)10(8-18-14)7-15(13)19/h3-5,8,11,13,15,18H,6-7,9H2,1-2H3


name: Octylphenol diethoxylates (OP2EO)
cas: 51437-90-2
chemspiderid: 19676745
dtxsid: DTXSID60563106
formula: C18H30O3
inchikey: NMTRTIUWHYPKTQ-UHFFFAOYSA-N
norman_susdat_id: NS00101016
pubchem_cid: 14694166
smiles: CCCCCCCCc1ccc(cc1)OCCOCCO
inchi:
InChI=1S/C18H30O3/c1-2-3-4-5-6-7-8-17-9-11-18(12-10-17)21-16-15-20-14-13-19/h9-12,19H,2-8,13-16H2,1H3


name: OPEO-6
cas: 51437-94-6
dtxsid: DTXSID20563107
formula: C26H46O7
inchikey: BBGAUVWUGVOCBQ-UHFFFAOYSA-N
norman_susdat_id: NS00067062
smiles: OCCOCCOCCOCCOCCOCCOC1=CC=C(CCCCCCCC)C=C1
inchi:
InChI=1S/C26H46O7/c1-2-3-4-5-6-7-8-25-9-11-26(12-10-25)33-24-23-32-22-21-31-20-19-30-18-17-29-16-15-28-14-13-27/h9-12,27H,2-8,13-24H2,1H3


name: L-ornithine 2-oxoglutarate (2:1)
cas: 5144-42-3
formula: C5H12N2O2.1/2C5H6O5
inchikey: MXZWEWUFDLGQKZ-SCGRZTRASA-L
norman_susdat_id: NS00081093
smiles: NCCC[C@H](N)C(=O)O.NCCC[C@H](N)C(=O)O.[O-]C(=O)CCC(=O)C(=O)[O-]
inchi:
InChI=1/2C5H12N2O2.C5H6O5/c2*6-3-1-2-4(7)5(8)9;6-3(5(9)10)1-2-4(7)8/h2*4H,1-3,6-7H2,(H,8,9);1-2H2,(H,7,8)(H,9,10)/p-2


name: Naphazoline nitrate
cas: 5144-52-5
chebiid: CHEBI:7471
formula: C14H14N2.HNO3
inchikey: ZAHXYMFVNNUHCP-UHFFFAOYSA-N
norman_susdat_id: NS00081094
smiles: O[N+](=O)[O-].C(C1=NCCN1)c2cccc3ccccc23
inchi:
InChI=1/C14H14N2.HNO3/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14;2-1(3)4/h1-7H,8-10H2,(H,15,16);(H,2,3,4)


name: Benzyldiethyl[2-[(1-oxoallyl)oxy]ethyl]ammonium chloride
cas: 51441-48-6
dtxsid: DTXSID50965756
formula: C16H24NO2
inchikey: RVNBHBGRVZNYOO-UHFFFAOYSA-M
norman_susdat_id: NS00056516
pubchem_cid: 3016663
smiles: [Cl-].O=C(OCC[N+](CC=1C=CC=CC1)(CC)CC)C=C
inchi:
InChI=1/C16H24NO2.ClH/c1-4-16(18)19-13-12-17(5-2,6-3)14-15-10-8-7-9-11-15;/h4,7-11H,1,5-6,12-14H2,2-3H3;1H/q+1;/p-1


cas: 51445-02-4
dtxsid: DTXSID30896534
formula: C12H2F23NO4
inchikey: YLJKMIXDTZLFEB-UHFFFAOYSA-N
norman_susdat_id: NS00110120
smiles: NC(=O)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
name:
2,3,3,3-Tetrafluoro-2-{1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propoxy}propanamide

inchi:
InChI=1/C12H2F23NO4/c13-2(1(36)37,6(18,19)20)38-11(32,33)4(16,8(24,25)26)40-12(34,35)5(17,9(27,28)29)39-10(30,31)3(14,15)7(21,22)23/h(H2,36,37)


name: (R(R*,R*))-2-Amino-1-(p-(methylsulphonyl)phenyl)propane-1,3-diol
cas: 51458-28-7
chemspiderid: 93441
dtxsid: DTXSID10199434
formula: C10H15N1O4S1
inchikey: CIAZEFCFQFQJLB-NXEZZACHSA-N
norman_susdat_id: NS00032278
pubchem_cid: 6452441
smiles: CS(=O)(=O)c1ccc(cc1)[C@@H](O)[C@H](N)CO
inchi:
InChI=1S/C10H15NO4S/c1-16(14,15)8-4-2-7(3-5-8)10(13)9(11)6-12/h2-5,9-10,12-13H,6,11H2,1H3/t9-,10-/m1/s1


name: Sodium 5-(carbamoylhydrazono)-2,3,5,6-tetrahydro-1-methyl-6-oxo-1H-indole-2-sulphonate
cas: 51460-26-5
dtxsid: DTXSID9022732
formula: C10H12N4O5S
inchikey: HLFCZZKCHVSOAP-UHFFFAOYSA-M
norman_susdat_id: NS00056121
pubchem_cid: NA
smiles: [Na+].O=C(N)NN=C1C=C2C(=CC1=O)N(C)C(C2)S(=O)(=O)[O-]
inchi:
InChI=1/C10H12N4O5S.Na/c1-14-7-4-8(15)6(12-13-10(11)16)2-5(7)3-9(14)20(17,18)19;/h2,4,9H,3H2,1H3,(H3,11,13,16)(H,17,18,19);/q;+1/p-1


name: 2,2',2'',4,4',4'',6,6',6''-Nonanitro-m-terphenyl
cas: 51460-84-5
chemspiderid: 87110
dtxsid: DTXSID50199438
formula: C18H5N9O18
inchikey: DYGJZCCUSXSGBE-UHFFFAOYSA-N
norman_susdat_id: NS00032280
pubchem_cid: 96493
inchi:
InChI=1S/C18H5N9O18/c28-19(29)6-1-8(21(32)33)14(9(2-6)22(34)35)16-12(25(40)41)5-13(26(42)43)17(18(16)27(44)45)15-10(23(36)37)3-7(20(30)31)4-11(15)24(38)39/h1-5H

smiles:
[O-][N+](=O)c1cc(c(c(c1)[N+](=O)[O-])c1c(c(c(cc1[N+](=O)[O-])[N+](=O)[O-])c1c(cc(cc1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]


name: Butanamide, N-(3-amino-4-chlorophenyl)-4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
cas: 51461-11-1
chemspiderid: 149535
dtxsid: DTXSID7068639
formula: C26H37Cl1N2O2
inchikey: BKETUCNJDZSSEV-UHFFFAOYSA-N
norman_susdat_id: NS00032281
pubchem_cid: 171044
smiles: CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(Cl)c(N)c2)c(c1)C(C)(C)CC
inchi:
InChI=1S/C26H37ClN2O2/c1-7-25(3,4)18-11-14-23(20(16-18)26(5,6)8-2)31-15-9-10-24(30)29-19-12-13-21(27)22(28)17-19/h11-14,16-17H,7-10,15,28H2,1-6H3,(H,29,30)


name: 6-Bromo-2-(3,5-dimethyl-1H-pyrazol-4-yl)-1H-benz(de)isoquinoline-1,3(2H)-dione
cas: 51461-22-4
chemspiderid: 944337
dtxsid: DTXSID20199440
formula: C17H12Br1N3O2
inchikey: UKRUVKDTLCRXNL-UHFFFAOYSA-N
norman_susdat_id: NS00032282
pubchem_cid: 1108211
smiles: Cc1c(n2c(=O)c3ccc(Br)c4cccc(c2=O)c34)c(C)n[nH]1
inchi:
InChI=1S/C17H12BrN3O2/c1-8-15(9(2)20-19-8)21-16(22)11-5-3-4-10-13(18)7-6-12(14(10)11)17(21)23/h3-7H,1-2H3,(H,19,20)


cas: 51461-29-1
chemspiderid: 4954875
dtxsid: DTXSID6068640
formula: C40H40N12O14S4
inchikey: NPURLJROFREPHW-OWOJBTEDSA-N
norman_susdat_id: NS00001369
pubchem_cid: 6452442
name:
Benzenesulfonic acid, 2,2'-(1,2-ethenediyl)bis[5-[[4-(4-morpholinyl)-6-[(4-sulfophenyl)amino]-1,3,5-triazin-2-yl]amino]-

inchi:
InChI=1S/C40H40N12O14S4/c53-67(54,55)31-11-7-27(8-12-31)41-35-45-37(49-39(47-35)51-15-19-65-20-16-51)43-29-5-3-25(33(23-29)69(59,60)61)1-2-26-4-6-30(24-34(26)70(62,63)64)44-38-46-36(48-40(50-38)52-17-21-66-22-18-52)42-28-9-13-32(14-10-28)68(56,57)58/h1-14,23-24H,15-22H2,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H2,41,43,45,47,49)(H2,42,44,46,48,50)/b2-1+

smiles:
OS(=O)(=O)c1ccc(Nc2nc(Nc3ccc(C=Cc4ccc(Nc5nc(Nc6ccc(cc6)S(O)(=O)=O)nc(n5)N5CCOCC5)cc4S(O)(=O)=O)c(c3)S(O)(=O)=O)nc(n2)N2CCOCC2)cc1


name: 1,1'-(pentane-1,5-diyl)bis[1-methylpyrrolidinium] dibromide
cas: 51464-74-5
formula: C15H32N2.2Br
inchikey: FUHDSRZEOUGXTF-UHFFFAOYSA-L
norman_susdat_id: NS00089170
smiles: [Br-].[Br-].C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1
inchi:
InChI=1/C15H32N2.2BrH/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17;;/h3-15H2,1-2H3;2*1H/q+2;;/p-2


name: Dimethyl 5,5'-((2-hydroxytrimethylene)bis(oxy))bis(4-oxo-4H-1-benzopyran-2-carboxylate)
cas: 51471-26-2
chemspiderid: 4954881
dtxsid: DTXSID60199444
formula: C25H20O11
inchikey: CWSPEOULHKLNOY-UHFFFAOYSA-N
norman_susdat_id: NS00032286
pubchem_cid: 6452448
smiles: COC(=O)c1cc(=O)c2c(OCC(O)COc3c4c(=O)cc(oc4ccc3)C(=O)OC)cccc2o1
inchi:
InChI=1S/C25H20O11/c1-31-24(29)20-9-14(27)22-16(5-3-7-18(22)35-20)33-11-13(26)12-34-17-6-4-8-19-23(17)15(28)10-21(36-19)25(30)32-2/h3-10,13,26H,11-12H2,1-2H3


name: 2-chloro-6-methylergoline-8ß-acetonitrile monomethanesulphonate
cas: 51473-23-5
formula: C17H18ClN3
inchikey: WXHDJVDIJQDJMK-AYJWUPBJSA-N
norman_susdat_id: NS00057157
pubchem_cid: 20055399
smiles: N#CCC1CN(C)C2CC3=C(Cl)NC4=CC=CC(=C43)C2C1.O=S(=O)(O)C
inchi:
InChI=1/C17H18ClN3.CH4O3S/c1-21-9-10(5-6-19)7-12-11-3-2-4-14-16(11)13(8-15(12)21)17(18)20-14;1-5(2,3)4/h2-4,10,12,15,20H,5,7-9H2,1H3;1H3,(H,2,3,4)


name: Isodecyl myristate
cas: 51473-24-6
chemspiderid: 149536
dtxsid: DTXSID6068642
formula: C24H48O2
inchikey: BAEBJZOXCRMTJX-UHFFFAOYSA-N
norman_susdat_id: NS00013774
pubchem_cid: 171045
smiles: CCCCCCCCCCCCCC(=O)OCCCCCCCC(C)C
inchi:
InChI=1S/C24H48O2/c1-4-5-6-7-8-9-10-11-12-15-18-21-24(25)26-22-19-16-13-14-17-20-23(2)3/h23H,4-22H2,1-3H3


cas: 51473-76-8
formula: C36H29N9O13S4
inchikey: JYQNXBHNMUPSEV-RKDSPHTMSA-J
norman_susdat_id: NS00057076
pubchem_cid: NA
name:
Tetrasodium 4-amino-3-[[4-[2-[4-[(2,4-diaminophenyl)azo]-2-sulphonatophenyl]vinyl]-3-sulphonatophenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C36H29N9O13S4.4Na/c37-22-10-13-27(26(38)16-22)43-41-24-11-8-19(28(17-24)59(47,48)49)6-7-20-9-12-25(18-29(20)60(50,51)52)42-44-34-30(61(53,54)55)14-21-15-31(62(56,57)58)35(36(46)32(21)33(34)39)45-40-23-4-2-1-3-5-23;;;;/h1-18,46H,37-39H2,(H,47,48,49)(H,50,51,52)(H,53,54,55)(H,56,57,58);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC(N=NC2=CC=C(N)C=C2N)=CC=C1C=CC3=CC=C(N=NC=4C(N)=C5C(C=C(C(N=NC=6C=CC=CC6)=C5O)S(=O)(=O)[O-])=CC4S(=O)(=O)[O-])C=C3S(=O)(=O)[O-]


name: 1-[2-[ethyl(3-methylphenyl)amino]ethyl]pyridinium chloride
cas: 51475-16-2
dtxsid: DTXSID20885957
formula: C16H21N2
inchikey: NCWJMUJYIMRNHK-UHFFFAOYSA-M
norman_susdat_id: NS00058009
pubchem_cid: 171046
smiles: [Cl-].C=1C=C[N+](=CC1)CCN(C2=CC=CC(=C2)C)CC
inchi:
InChI=1/C16H21N2.ClH/c1-3-18(16-9-7-8-15(2)14-16)13-12-17-10-5-4-6-11-17;/h4-11,14H,3,12-13H2,1-2H3;1H/q+1;/p-1


name: Vomitoxin
cas: 51481-10-8
chebiid: CHEBI:10022
chemspiderid: 36584
dtxsid: DTXSID3020382
formula: C15H20O6
inchikey: LINOMUASTDIRTM-QGRHZQQGSA-N
norman_susdat_id: NS00000120
pubchem_cid: 40024
smiles: CC1=C[C@@H]2[C@]([C@@H](C1=O)O)([C@]3(C[C@H]([C@H]([C@@]34CO4)O2)O)C)CO
inchi:
InChI=1S/C15H20O6/c1-7-3-9-14(5-16,11(19)10(7)18)13(2)4-8(17)12(21-9)15(13)6-20-15/h3,8-9,11-12,16-17,19H,4-6H2,1-2H3/t8-,9-,11-,12-,13-,14-,15+/m1/s1


name: Cimetidine
cas: 51481-61-9
chebiid: CHEBI:3699
chemspiderid: 2654
dtxsid: DTXSID4020329
formula: C10H16N6S1
inchikey: AQIXAKUUQRKLND-UHFFFAOYSA-N
norman_susdat_id: NS00008665
pubchem_cid: 2756
smiles: CN=C(NCCSCc1nc[nH]c1C)NC#N
inchi:
InChI=1S/C10H16N6S/c1-8-9(16-7-15-8)5-17-4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14)


name: Mezlocillin
cas: 51481-65-3
chebiid: CHEBI:6919
chemspiderid: 570894
dtxsid: DTXSID1023316
formula: C21H25N5O8S2
inchikey: YPBATNHYBCGSSN-VWPFQQQWSA-N
norman_susdat_id: NS00004129
pubchem_cid: 656511
smiles: CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)N3CCN(C3=O)S(C)(=O)=O)c3ccccc3)C(=O)N2[C@H]1C(O)=O
inchi:
InChI=1S/C21H25N5O8S2/c1-21(2)14(18(29)30)26-16(28)13(17(26)35-21)22-15(27)12(11-7-5-4-6-8-11)23-19(31)24-9-10-25(20(24)32)36(3,33)34/h4-8,12-14,17H,9-10H2,1-3H3,(H,22,27)(H,23,31)(H,29,30)/t12-,13-,14+,17-/m1/s1


name: Methyl O-tert-butyl-L-tyrosinate hydrochloride
cas: 51482-39-4
chemspiderid: 4954883
dtxsid: DTXSID50199453
formula: C14H21N1O3
inchikey: PAFVAMWJVIIMQK-YDALLXLXSA-N
norman_susdat_id: NS00032287
pubchem_cid: 6452451
smiles: [Cl-].COC(=O)[C@@H](N)Cc1ccc(OC(C)(C)C)cc1.[H+]
inchi:
InChI=1S/C14H21NO3/c1-14(2,3)18-11-7-5-10(6-8-11)9-12(15)13(16)17-4/h5-8,12H,9,15H2,1-4H3/t12-/m1/s1


name: Difenpiramide
cas: 51484-40-3
chebiid: CHEBI:76130
chemspiderid: 90781
dtxsid: DTXSID10199459
formula: C19H16N2O1
inchikey: PWHROYKAGRUWDQ-UHFFFAOYSA-N
norman_susdat_id: NS00032288
pubchem_cid: 100472
smiles: O=C(Cc1ccc(cc1)c1ccccc1)Nc1ccccn1
inchi:
InChI=1S/C19H16N2O/c22-19(21-18-8-4-5-13-20-18)14-15-9-11-17(12-10-15)16-6-2-1-3-7-16/h1-13H,14H2,(H,20,21,22)


name: Cloethocarb
cas: 51487-69-5
chemspiderid: 36591
dtxsid: DTXSID8041791
formula: C11H14Cl1N1O4
inchikey: PITWUHDDNUVBPT-UHFFFAOYNA-N
norman_susdat_id: NS00022274
pubchem_cid: NA
smiles: CNC(=O)Oc1c(OC(CCl)OC)cccc1
inchi:
InChI=1S/C11H14ClNO4/c1-13-11(14)17-9-6-4-3-5-8(9)16-10(7-12)15-2/h3-6,10H,7H2,1-2H3,(H,13,14)/t10-/m1/s1


name: N-[[1-(allyl)-2-pyrrolidinyl]methyl]-5-(aminosulphonyl)-2-methoxybenzamide monohydrochloride
cas: 51489-21-5
dtxsid: DTXSID30965815
formula: C16H23N3O4S
inchikey: KNPLKAQAZIFQIC-UHFFFAOYSA-N
norman_susdat_id: NS00057158
pubchem_cid: 3016669
smiles: Cl.O=C(NCC1N(CC=C)CCC1)C2=CC(=CC=C2OC)S(=O)(=O)N
inchi:
InChI=1/C16H23N3O4S.ClH/c1-3-8-19-9-4-5-12(19)11-18-16(20)14-10-13(24(17,21)22)6-7-15(14)23-2;/h3,6-7,10,12H,1,4-5,8-9,11H2,2H3,(H,18,20)(H2,17,21,22);1H


name: 2-(4-((1,3-Dioxo-3-phenylpropyl)amino)phenyl)-1-octadecyl-1H-benzimidazole-5-sulphonic acid
cas: 5149-72-4
chemspiderid: 147148
dtxsid: DTXSID30199471
formula: C40H53N3O5S1
inchikey: ZCDJHOQJPIXSCQ-UHFFFAOYSA-N
norman_susdat_id: NS00032290
pubchem_cid: 168223
smiles: CCCCCCCCCCCCCCCCCCn1c2ccc(cc2nc1c1ccc(NC(=O)CC(=O)c2ccccc2)cc1)S(=O)(=O)O
inchi:
InChI=1S/C40H53N3O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-29-43-37-28-27-35(49(46,47)48)30-36(37)42-40(43)33-23-25-34(26-24-33)41-39(45)31-38(44)32-21-18-17-19-22-32/h17-19,21-28,30H,2-16,20,29,31H2,1H3,(H,41,45)(H,46,47,48)


name: 4-(diethylamino)benzenediazonium tetrachlorozincate (2:1)
cas: 5149-85-9
formula: C10H14N3.1/2Cl4Zn
inchikey: KSUPIOGMHIUCNV-UHFFFAOYSA-J
norman_susdat_id: NS00081510
smiles: CCN(CC)c1ccc(cc1)[N+]#N.CCN(CC)c2ccc(cc2)[N+]#N.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C10H14N3.4ClH.Zn/c2*1-3-13(4-2)10-7-5-9(12-11)6-8-10;;;;;/h2*5-8H,3-4H2,1-2H3;4*1H;/q2*+1;;;;;+2/p-4/r2C10H14N3.Cl4Zn/c2*1-3-13(4-2)10-7-5-9(12-11)6-8-10;1-5(2,3)4/h2*5-8H,3-4H2,1-2H3;/q2*+1;-2


name: Cinprazole
cas: 51493-19-7
formula: C30H32N4O
inchikey: VIAYOUBFHWUVLW-UHFFFAOYSA-N
norman_susdat_id: NS00089172
smiles: O=C(CCn3c4ccccc4nc3CN2CCN(CC=Cc1ccccc1)CC2)c5ccccc5
inchi:
InChI=1/C30H32N4O/c35-29(26-13-5-2-6-14-26)17-19-34-28-16-8-7-15-27(28)31-30(34)24-33-22-20-32(21-23-33)18-9-12-25-10-3-1-4-11-25/h1-16H,17-24H2


name: 3-[2-[(4-cinnamyl-1-piperazinyl)methyl]-1H-benzimidazol-1-yl]propiophenone dimaleate
cas: 51493-20-0
formula: C30H32N4O
inchikey: HQQKMIFTIIWMIQ-FCZZSTBBSA-N
norman_susdat_id: NS00056669
pubchem_cid: 68685
smiles: O=C(O)C=CC(=O)O.O=C(O)C=CC(=O)O.O=C(C=1C=CC=CC1)CCN2C=3C=CC=CC3N=C2CN4CCN(CC=CC=5C=CC=CC5)CC4
inchi:
InChI=1/C30H32N4O.2C4H4O4/c35-29(26-13-5-2-6-14-26)17-19-34-28-16-8-7-15-27(28)31-30(34)24-33-22-20-32(21-23-33)18-9-12-25-10-3-1-4-11-25;2*5-3(6)1-2-4(7)8/h1-16H,17-24H2;2*1-2H,(H,5,6)(H,7,8)


name: 7-(diethylamino)-1',4'-dihydro-1',4'-dimethylspiro[2H-1-benzopyran-2,2'(3'H)-quinoxalin]-3'-one
cas: 51493-67-5
dtxsid: DTXSID20965824
formula: C22H25N3O2
inchikey: ZXYGXVPPZLKHDH-UHFFFAOYSA-N
norman_susdat_id: NS00057077
pubchem_cid: 56842003
smiles: O=C1N(C=2C=CC=CC2N(C)C31OC=4C=C(C=CC4C=C3)N(CC)CC)C
inchi:
InChI=1/C22H25N3O2/c1-5-25(6-2)17-12-11-16-13-14-22(27-20(16)15-17)21(26)23(3)18-9-7-8-10-19(18)24(22)4/h7-15H,5-6H2,1-4H3


name: Sodium a-methyldibenzofuran-2-acetate
cas: 51498-24-9
dtxsid: DTXSID60965828
formula: C15H12O3
inchikey: CJALJUTTZPATDN-UHFFFAOYSA-M
norman_susdat_id: NS00058010
pubchem_cid: 44152633
smiles: [Na+].O=C([O-])C(C=1C=CC=2OC=3C=CC=CC3C2C1)C
inchi:
InChI=1/C15H12O3.Na/c1-9(15(16)17)10-6-7-14-12(8-10)11-4-2-3-5-13(11)18-14;/h2-9H,1H3,(H,16,17);/q;+1/p-1


name: Sclareol
cas: 515-03-7
chemspiderid: 454751
dtxsid: DTXSID0047111
formula: C20H36O2
inchikey: XVULBTBTFGYVRC-UHFFFAOYSA-N
norman_susdat_id: NS00013191
pubchem_cid: 521332
smiles: CC1(C)CCC[C@@]2(C)C1CC[C@@](C)(O)[C@@H]2CC[C@@](C)(O)C=C
inchi:
InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15?,16-,18+,19+,20-/m1/s1


name: cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-, [1s-(1alpha,2beta,4beta)]-
cas: 515-13-9
chebiid: CHEBI:62855
dtxsid: DTXSID60881211
formula: C15H24
inchikey: OPFTUNCRGUEPRZ-QLFBSQMISA-N
norman_susdat_id: NS00096333
smiles: CC(=C)[C@@H]1CC[C@@](C)(C=C)[C@@H](C1)C(C)=C
inchi:
InChI=1S/C15H24/c1-7-15(6)9-8-13(11(2)3)10-14(15)12(4)5/h7,13-14H,1-2,4,8-10H2,3,5-6H3/t13-,14+,15-/m1/s1


name: Maleylsulfathiazole
cas: 515-57-1
chemspiderid: 87045
dtxsid: DTXSID3046116
formula: C13H11N3O5S2
inchikey: ALXRUJOUFGNSHT-UHFFFAOYSA-N
norman_susdat_id: NS00032303
pubchem_cid: 96424
smiles: OC(=O)/C=CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
inchi:
InChI=1S/C13H11N3O5S2/c17-11(5-6-12(18)19)15-9-1-3-10(4-2-9)23(20,21)16-13-14-7-8-22-13/h1-8H,(H,14,16)(H,15,17)(H,18,19)/b6-5-


name: Sulfisomidine
cas: 515-64-0
chebiid: CHEBI:32166
chemspiderid: 5150
dtxsid: DTXSID1046390
formula: C12H14N4O2S1
inchikey: YZMCKZRAOLZXAZ-UHFFFAOYSA-N
norman_susdat_id: NS00010357
pubchem_cid: 5343
smiles: Cc1cc(nc(n1)C)NS(=O)(=O)c2ccc(cc2)N
inchi:
InChI=1S/C12H14N4O2S/c1-8-7-12(15-9(2)14-8)16-19(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3,(H,14,15,16)


name: Difetarsone disodium
cas: 515-76-4
formula: C14H18As2N2O6.2Na
inchikey: WJQJTJQDBFMBJM-UHFFFAOYSA-N
norman_susdat_id: NS00080487
smiles: [Na+].[Na+].O[As](=O)(O)c1ccc(NCCNc2ccc(cc2)[As](=O)(O)O)cc1
inchi:
InChI=1/C14H18As2N2O6.2Na/c19-15(20,21)11-1-5-13(6-2-11)17-9-10-18-14-7-3-12(4-8-14)16(22,23)24;;/h1-8,17-18H,9-10H2,(H2,19,20,21)(H2,22,23,24);;/q;2*+1


name: 1',3'-dihydro-1',3',3'-trimethyl-8-nitrospiro[2H-1-benzopyran-2,2'-[2H]indole]
cas: 5150-50-5
dtxsid: DTXSID90884134
formula: C19H19N2O3
inchikey: AZZVYIDATNYVSN-UHFFFAOYSA-N
norman_susdat_id: NS00045958
pubchem_cid: 107628
smiles: O=[N+]([O-])C1=CC=CC=2C=CC3(OC21)N(C=4C=CC=CC4C3(C)C)C
inchi:
InChI=1/C19H18N2O3/c1-18(2)14-8-4-5-9-15(14)20(3)19(18)12-11-13-7-6-10-16(21(22)23)17(13)24-19/h4-12H,1-3H3


name: E3-3S
cas: 5150-64-1
chemspiderid: 379501
formula: C18H24O6S1
inchikey: ZORQMBLUMWNJEQ-UHFFFAOYSA-N
norman_susdat_id: NS00004489
pubchem_cid: 429045
smiles: CC12CCC3C(CCc4cc(OS(O)(=O)=O)ccc34)C1CC(O)C2O
inchi:
InChI=1S/C18H24O6S/c1-18-7-6-13-12-5-3-11(24-25(21,22)23)8-10(12)2-4-14(13)15(18)9-16(19)17(18)20/h3,5,8,13-17,19-20H,2,4,6-7,9H2,1H3,(H,21,22,23)


name: 1-Hexadecanesulfonamide, N-1H-indol-7-yl-
cas: 51501-27-0
chemspiderid: 149540
dtxsid: DTXSID1068645
formula: C24H40N2O2S1
inchikey: HLHGMCHARQAMND-UHFFFAOYSA-N
norman_susdat_id: NS00032292
pubchem_cid: 171050
smiles: CCCCCCCCCCCCCCCCS(=O)(=O)Nc1c2[nH]ccc2ccc1
inchi:
InChI=1S/C24H40N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21-29(27,28)26-23-18-16-17-22-19-20-25-24(22)23/h16-20,25-26H,2-15,21H2,1H3


name: Methyl Perfluorononanoate
cas: 51502-45-5
dtxsid: DTXSID40379560
formula: C10H3F17O2
inchikey: CFNCFMKWDPDIPT-UHFFFAOYSA-N
norman_susdat_id: NS00110196
smiles: COC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C10H3F17O2/c1-29-2(28)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1H3


name: 4-chloro-2-methylbenzenediazonium 1,5-naphthalenedisulphonate
cas: 51503-28-7
formula: C10H7O6S2.C7H6ClN2
inchikey: PSAWWJOJWWUTJJ-UHFFFAOYSA-L
norman_susdat_id: NS00088491
smiles: Cc1cc(Cl)ccc1[N+]#N.Cc2cc(Cl)ccc2[N+]#N.[O-]S(=O)(=O)c3cccc4c(cccc34)S(=O)(=O)[O-]
inchi:
InChI=1/C10H8O6S2.2C7H6ClN2/c11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;2*1-5-4-6(8)2-3-7(5)10-9/h1-6H,(H,11,12,13)(H,14,15,16);2*2-4H,1H3/q;2*+1/p-2


name: 2-[[bis(2,3-dibromopropoxy)phosphinyl]oxy]ethyl methacrylate
cas: 51512-51-7
dtxsid: DTXSID00965847
formula: C12H19Br4O6P
inchikey: BSDALERRLFGFKK-UHFFFAOYSA-N
norman_susdat_id: NS00057159
pubchem_cid: 3016676
smiles: O=C(OCCOP(=O)(OCC(Br)CBr)OCC(Br)CBr)C(=C)C
inchi:
InChI=1/C12H19Br4O6P/c1-9(2)12(17)19-3-4-20-23(18,21-7-10(15)5-13)22-8-11(16)6-14/h10-11H,1,3-8H2,2H3


name: N~3~-cyclopropyl-n~4~'-(cyclopropylmethyl)-6-methylbiphenyl-3
cas: 515134-70-0
chebiid: CHEBI:90527
formula: C22H24N2O2
inchikey: BOPSUAHGQHFKGG-UHFFFAOYSA-N
norman_susdat_id: NS00069669
pubchem_cid: 24856363
smiles: Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCC2CC2)cc1
inchi:
InChI=1S/C22H24N2O2/c1-14-2-5-18(22(26)24-19-10-11-19)12-20(14)16-6-8-17(9-7-16)21(25)23-13-15-3-4-15/h2,5-9,12,15,19H,3-4,10-11,13H2,1H3,(H,23,25)(H,24,26)


cas: 515152-55-3
dtxsid: DTXSID50882833
norman_susdat_id: NS00110648
name:
2-Propenoic acid, esters, 2-methyl-, 2-hydroxyethyl ester, polymers with .gamma.-.omega.-perfluoro-C8-16-alkyl acrylate and polyethylene glycol monoacrylate


name: Benzoic acid, 2-(11-hydroxy-3-oxo-3H-dibenzo[c,h]xanthen-7-yl)-
cas: 51517-45-4
chemspiderid: 93800
dtxsid: DTXSID6068646
formula: C28H16O5
inchikey: LFZLBQHTPRXHSQ-UHFFFAOYSA-N
norman_susdat_id: NS00032295
pubchem_cid: 103891
smiles: OC(=O)c1ccccc1c1c2ccc3cc(=O)ccc3c2oc2c1ccc1cc(O)ccc21
inchi:
InChI=1S/C28H16O5/c29-17-7-11-19-15(13-17)5-9-23-25(21-3-1-2-4-22(21)28(31)32)24-10-6-16-14-18(30)8-12-20(16)27(24)33-26(19)23/h1-14,29H,(H,31,32)


name: Metocurine
cas: 5152-30-7
chebiid: CHEBI:6900
dtxsid: DTXSID0048262
formula: C40H48N2O6
inchikey: JFXBEKISTKFVAB-AJQTZOPKSA-N
norman_susdat_id: NS00069810
pubchem_cid: 21233
smiles: COc1ccc2cc1Oc1cc3c(cc1OC)CC[N+](C)(C)[C@H]3Cc1ccc(cc1)Oc1c(OC)c(OC)cc3c1[C@@H](C2)[N+](C)(C)CC3
inchi:
InChI=1S/C40H48N2O6/c1-41(2)17-15-27-22-34(44-6)36-24-30(27)31(41)19-25-9-12-29(13-10-25)47-40-38-28(23-37(45-7)39(40)46-8)16-18-42(3,4)32(38)20-26-11-14-33(43-5)35(21-26)48-36/h9-14,21-24,31-32H,15-20H2,1-8H3/q+2/t31-,32+/m0/s1


name: 2-Ethylhexylparaben
cas: 5153-25-3
chebiid: CHEBI:34274
chemspiderid: 96640
dtxsid: DTXSID4022525
formula: C15H22O3
inchikey: VTIMKVIDORQQFA-UHFFFAOYNA-N
norman_susdat_id: NS00020828
pubchem_cid: NA
smiles: CCCCC(CC)COC(=O)c1ccc(O)cc1
inchi:
InChI=1S/C15H22O3/c1-3-5-6-12(4-2)11-18-15(17)13-7-9-14(16)10-8-13/h7-10,12,16H,3-6,11H2,1-2H3/t12-/m1/s1


name: Hexyldecyl hydrogen sulfate
cas: 51541-51-6
chemspiderid: 8571
dtxsid: DTXSID7047982
formula: C16H34O4S1
inchikey: LPTIRUACFKQDHZ-UHFFFAOYSA-N
norman_susdat_id: NS00013544
pubchem_cid: 88714123
smiles: CCCCCCCCCCCCCCCCO[S](O)(=O)=O.OCCNCCO
inchi:
InChI=1S/C16H34O4S.C4H11NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-21(17,18)19;6-3-1-5-2-4-7/h2-16H2,1H3,(H,17,18,19);5-7H,1-4H2


name: N-benzoyl-2'-deoxycytidine 3'-benzoate
cas: 51549-49-6
dtxsid: DTXSID10965873
formula: C23H21N3O6
inchikey: FRCSORXRCWKCJL-NLWGTHIKSA-N
norman_susdat_id: NS00058066
pubchem_cid: 103897
smiles: O=C(OC1CC(OC1CO)N2C=CC(=NC2=O)NC(=O)C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C23H21N3O6/c27-14-18-17(32-22(29)16-9-5-2-6-10-16)13-20(31-18)26-12-11-19(25-23(26)30)24-21(28)15-7-3-1-4-8-15/h1-12,17-18,20,27H,13-14H2,(H,24,25,28,30)


name: N-benzoyl-2'-deoxyadenosine 3'-benzoate
cas: 51549-54-3
dtxsid: DTXSID70965874
formula: C24H21N5O5
inchikey: GRASBJRYLQJMMU-IPMKNSEASA-N
norman_susdat_id: NS00056744
pubchem_cid: 103898
smiles: O=C(OC1CC(OC1CO)N2C=NC=3C(=NC=NC32)NC(=O)C=4C=CC=CC4)C=5C=CC=CC5
inchi:
InChI=1/C24H21N5O5/c30-12-18-17(34-24(32)16-9-5-2-6-10-16)11-19(33-18)29-14-27-20-21(25-13-26-22(20)29)28-23(31)15-7-3-1-4-8-15/h1-10,13-14,17-19,30H,11-12H2,(H,25,26,28,31)


cas: 51550-25-5
dtxsid: DTXSID1068647
formula: C20H14N2O15S4
inchikey: BYOASQSUNKYWNG-UHFFFAOYSA-J
norman_susdat_id: NS00057112
pubchem_cid: 103900
name:
Tetrasodium 4,5-dihydroxy-3-[(8-hydroxy-3,6-disulphonato-1-naphthyl)azo]naphthalene-2,7-disulphonate

inchi:
InChI=1/C20H14N2O15S4.4Na/c23-14-6-11(39(29,30)31)2-8-1-10(38(26,27)28)5-13(17(8)14)21-22-19-16(41(35,36)37)4-9-3-12(40(32,33)34)7-15(24)18(9)20(19)25;;;;/h1-7,23-25H,(H,26,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=C(O)C2=C(N=NC=3C(O)=C4C(O)=CC(=CC4=CC3S(=O)(=O)[O-])S(=O)(=O)[O-])C=C(C=C2C1)S(=O)(=O)[O-]


name: 1-[1-(4-heptylphenyl)vinyl]-4-propoxybenzene
cas: 51555-02-3
dtxsid: DTXSID00965882
formula: C24H32O
inchikey: FCRRHENEPCOJGE-UHFFFAOYSA-N
norman_susdat_id: NS00057130
pubchem_cid: 103902
smiles: O(C1=CC=C(C=C1)C(=C)C2=CC=C(C=C2)CCCCCCC)CCC
inchi:
InChI=1/C24H32O/c1-4-6-7-8-9-10-21-11-13-22(14-12-21)20(3)23-15-17-24(18-16-23)25-19-5-2/h11-18H,3-10,19H2,1-2H3


name: Pentaglycerol
cas: 51555-31-8
dtxsid: DTXSID60965883
formula: C15H32O11
inchikey: XVNPLOVSONLCBO-UHFFFAOYSA-N
norman_susdat_id: NS00057233
pubchem_cid: NA
smiles: OCC(OCC(OCC(OCC(OC(CO)CO)CO)CO)CO)CO
inchi:
InChI=1/C15H32O11/c16-1-11(2-17)23-8-13(5-20)24-9-14(6-21)25-10-15(7-22)26-12(3-18)4-19/h11-22H,1-10H2


name: Thiodigalactoside
cas: 51555-87-4
dtxsid: DTXSID00978578
formula: C12H22O10S
inchikey: SYKYBMOFPMXDRQ-ZFDCCPEWSA-N
norman_susdat_id: NS00070894
pubchem_cid: 119138
smiles: OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O
inchi:
InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1


name: (3-hydroxypropan-1-yl-3-ylidene)trisphosphonic acid
cas: 51556-88-8
dtxsid: DTXSID80965885
formula: C3H11O10P3
inchikey: DOAAIMWVMVKYJZ-UHFFFAOYSA-N
norman_susdat_id: NS00056769
pubchem_cid: 15143274
smiles: O=P(O)(O)CCC(O)(P(=O)(O)O)P(=O)(O)O
inchi:
InChI=1/C3H11O10P3/c4-3(15(8,9)10,16(11,12)13)1-2-14(5,6)7/h4H,1-2H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)


name: 2,6-Bis((3-methoxypropyl)amino)-4-methylnicotinonitrile
cas: 51560-72-6
chemspiderid: 93812
dtxsid: DTXSID70199516
formula: C15H24N4O2
inchikey: PDHMWWBAQJNDIP-UHFFFAOYSA-N
norman_susdat_id: NS00032304
pubchem_cid: 103906
smiles: COCCCNc1cc(C)c(C#N)c(NCCCOC)n1
inchi:
InChI=1S/C15H24N4O2/c1-12-10-14(17-6-4-8-20-2)19-15(13(12)11-16)18-7-5-9-21-3/h10H,4-9H2,1-3H3,(H2,17,18,19)


name: Hexaethyleneglycol mono-n-tetradecyl ether
cas: 5157-04-0
chemspiderid: 71168
dtxsid: DTXSID60199520
formula: C26H54O7
inchikey: CMOAVXMJUDBIST-UHFFFAOYSA-N
norman_susdat_id: NS00032306
pubchem_cid: 78833
smiles: CCCCCCCCCCCCCCOCCOCCOCCOCCOCCOCCO
inchi:
InChI=1S/C26H54O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-28-17-19-30-21-23-32-25-26-33-24-22-31-20-18-29-16-14-27/h27H,2-26H2,1H3


name: 7,8-Diphenylglycoluril
cas: 5157-15-3
dtxsid: DTXSID80199522
formula: C16H14N4O2
inchikey: WUDVGTHXCLJVJN-UHFFFAOYSA-N
norman_susdat_id: NS00097922
smiles: C1=CC=C(C=C1)C23C(NC(=O)N2)(NC(=O)N3)C4=CC=CC=C4
inchi:
InChI=1S/C16H14N4O2/c21-13-17-15(11-7-3-1-4-8-11)16(19-13,20-14(22)18-15)12-9-5-2-6-10-12/h1-10H,(H2,17,19,21)(H2,18,20,22)


name: (Z)-N-(1-oxooctadec-9-en-1-yl)-L-methionine
cas: 51570-50-4
chebiid: CHEBI:165545
formula: C23H43NO3S
inchikey: ATFITIQQSWCPIQ-XPTLAUCJSA-N
norman_susdat_id: NS00058067
pubchem_cid: 6437024
smiles: O=C(O)C(NC(=O)CCCCCCCC=CCCCCCCCC)CCSC
inchi:
InChI=1/C23H43NO3S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)24-21(23(26)27)19-20-28-2/h10-11,21H,3-9,12-20H2,1-2H3,(H,24,25)(H,26,27)


name: Hydroxyaluminium diformate
cas: 51575-25-8
formula: C2H3AlO5
inchikey: XGVQRJMQNHMQNR-UHFFFAOYSA-K
norman_susdat_id: NS00088713
smiles: O[Al+2].[O-]C=O.[O-]C=O
inchi:
InChI=1/2CH2O2.Al.H2O/c2*2-1-3;;/h2*1H,(H,2,3);;1H2/q;;+3;/p-3/r2CH2O2.AlHO/c2*2-1-3;1-2/h2*1H,(H,2,3);2H/q;;+2/p-2


name: Dipotassium 2,5-dihydroxybenzene-1,3-disulphonate
cas: 51579-80-7
dtxsid: DTXSID80965901
formula: C6H6O8S2
inchikey: JWNLTHADDXGNHR-UHFFFAOYSA-L
norman_susdat_id: NS00056771
pubchem_cid: 103913
smiles: [K+].[K+].O=S(=O)([O-])C1=CC(O)=CC(=C1O)S(=O)(=O)[O-]
inchi:
InChI=1/C6H6O8S2.2K/c7-3-1-4(15(9,10)11)6(8)5(2-3)16(12,13)14;;/h1-2,7-8H,(H,9,10,11)(H,12,13,14);;/q;2*+1/p-2


name: (2-Carboxyethyl)dimethyl[3-(perfluorooctanamido)propyl]ammonium
cas: 5158-52-1
chemspiderid: NA
dtxsid: DTXSID00880208
formula: C16H18F15N2O3
inchikey: JREGIWWPXUQSBC-UHFFFAOYSA-O
norman_susdat_id: NS00019106
pubchem_cid: NA
smiles: C[N+](C)(CCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCC(O)=O
inchi:
InChI=1S/C16H17F15N2O3/c1-33(2,7-4-8(34)35)6-3-5-32-9(36)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)31/h3-7H2,1-2H3,(H-,32,34,35,36)/p+1


name: 4,5-bis(1-phenylethyl)-o-xylene
cas: 51580-93-9
dtxsid: DTXSID50885960
formula: C24H26
inchikey: QUJHQCRVGWYNKQ-UHFFFAOYSA-N
norman_susdat_id: NS00057235
pubchem_cid: 103494
smiles: C=1C=CC(=CC1)C(C2=CC(=C(C=C2C(C=3C=CC=CC3)C)C)C)C
inchi:
InChI=1/C24H26/c1-17-15-23(19(3)21-11-7-5-8-12-21)24(16-18(17)2)20(4)22-13-9-6-10-14-22/h5-16,19-20H,1-4H3


name: 2-[4-(Benzyloxy)-3-nitrophenyl]oxirane
cas: 51582-41-3
chemspiderid: 9131828
dtxsid: DTXSID90449787
formula: C15H13N1O4
inchikey: MOGUBMMGIJLRHQ-UHFFFAOYSA-N
norman_susdat_id: NS00020657
pubchem_cid: 10956611
smiles: [O-][N+](=O)c1c(OCc2ccccc2)ccc(c1)C1CO1
inchi:
InChI=1S/C15H13NO4/c17-16(18)13-8-12(15-10-20-15)6-7-14(13)19-9-11-4-2-1-3-5-11/h1-8,15H,9-10H2/t15-/m1/s1


name: N-(Perfluoro-1-oxononyl)-N-methylglycine sodium salt
cas: 51588-53-5
chemspiderid: NA
dtxsid: DTXSID80881359
formula: C12H6F17N1O3
inchikey: KGVPINIFWHGDKX-UHFFFAOYSA-M
norman_susdat_id: NS00019107
pubchem_cid: NA
smiles: [Na+].CN(CC([O-])=O)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H6F17NO3/c1-30(2-3(31)32)4(33)5(13,14)6(15,16)7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)29/h2H2,1H3,(H,31,32)


name: [2-hydroxy-3-[(1-oxooctadecyl)oxy]propyl] hydrogen 2,3-diacetoxysuccinate
cas: 51591-37-8
dtxsid: DTXSID30965911
formula: C29H50O11
inchikey: HEBJIRRQKKTASW-UHFFFAOYSA-N
norman_susdat_id: NS00058068
pubchem_cid: 103495
smiles: O=C(OC(C(=O)O)C(OC(=O)C)C(=O)OCC(O)COC(=O)CCCCCCCCCCCCCCCCC)C
inchi:
InChI=1/C29H50O11/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(33)37-20-24(32)21-38-29(36)27(40-23(3)31)26(28(34)35)39-22(2)30/h24,26-27,32H,4-21H2,1-3H3,(H,34,35)


name: cis-1,3-dibenzyl-2-oxoimidazolidine-4,5-dicarboxylic acid
cas: 51591-75-4
formula: C19H18N2O5
inchikey: QSMUFXXTSUEZJA-IYBDPMFKSA-N
norman_susdat_id: NS00088542
smiles: OC(=O)[C@@H]1[C@@H](N(Cc2ccccc2)C(=O)N1Cc3ccccc3)C(=O)O
inchi:
InChI=1/C19H18N2O5/c22-17(23)15-16(18(24)25)21(12-14-9-5-2-6-10-14)19(26)20(15)11-13-7-3-1-4-8-13/h1-10,15-16H,11-12H2,(H,22,23)(H,24,25)


cas: 51596-04-4
dtxsid: DTXSID5068653
formula: C21H18N4O8S2
inchikey: BJVYYBLMMMDMOC-UHFFFAOYSA-N
norman_susdat_id: NS00056775
pubchem_cid: NA
smiles: O=C1C(=CC2=C(O)N(N=C2C)C3=CC=C(C=C3)S(=O)(=O)O)C(=NN1C4=CC=C(C=C4)S(=O)(=O)O)C
name:
p-[4,5-dihydro-4-[[5-hydroxy-3-methyl-1-(4-sulphophenyl)-1H-pyrazol-4-yl]methylene]-3-methyl-5-oxo-1H-pyrazol-1-yl]benzenesulphonic acid

inchi:
InChI=1/C21H18N4O8S2/c1-12-18(20(26)24(22-12)14-3-7-16(8-4-14)34(28,29)30)11-19-13(2)23-25(21(19)27)15-5-9-17(10-6-15)35(31,32)33/h3-11,26H,1-2H3,(H,28,29,30)(H,31,32,33)


name: Milbemectin
cas: 51596-10-2
chemspiderid: 30988548
dtxsid: DTXSID1058391
formula: C31H44O7
inchikey: ZLBGSRMUSVULIE-FLYVFVGVSA-N
norman_susdat_id: NS00006874
pubchem_cid: 92029034
inchi:
InChI=1S/C31H44O7/c1-18-7-6-8-23-17-35-28-27(32)21(4)14-26(31(23,28)34)29(33)36-25-15-24(10-9-19(2)13-18)38-30(16-25)12-11-20(3)22(5)37-30/h6-9,14,18,20,22,24-28,32,34H,10-13,15-17H2,1-5H3/b7-6+,19-9+,23-8?/t18-,20-,22?,24?,25-,26-,27+,28+,30-,31+/m0/s1

smiles:
C[C@H]1CC[C@]2(C[C@@H]3CC(CC=C(C)C[C@@H](C)C=CC=C4CO[C@@H]5[C@H](O)C(C)=C[C@@H](C(=O)O3)[C@]45O)O2)OC1C


name: Milbemectin A4
cas: 51596-11-3
chemspiderid: 49697286
dtxsid: DTXSID4052760
formula: C32H46O7
inchikey: VOZIAWLUULBIPN-DDMFGXRSSA-N
norman_susdat_id: NS00006481
pubchem_cid: NA
inchi:
InChI=1S/C32H46O7/c1-6-27-21(4)12-13-31(39-27)17-25-16-24(38-31)11-10-20(3)14-19(2)8-7-9-23-18-36-29-28(33)22(5)15-26(30(34)37-25)32(23,29)35/h7-10,15,19,21,24-29,33,35H,6,11-14,16-18H2,1-5H3/b8-7+,20-10+,23-9?/t19?,21?,24-,25+,26+,27?,28-,29-,31-,32-/m1/s1

smiles:
CCC1O[C@]2(CCC1C)C[C@@H]1C[C@@H](CC=C(C)CC(C)C=CC=C3CO[C@@H]4[C@H](O)C(C)=C[C@@H](C(=O)O1)[C@]34O)O2


cas: 51599-32-7
dtxsid: DTXSID70885962
formula: C40H51ClN6O4S
inchikey: VLJSFMSQZCVLRZ-UHFFFAOYSA-N
norman_susdat_id: NS00058070
pubchem_cid: 171056
name:
N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[(1-phenyl-1H-tetrazol-5-yl)thio]valeramide

inchi:
InChI=1/C40H51ClN6O4S/c1-10-39(6,7)26-19-22-32(29(24-26)40(8,9)11-2)51-23-15-18-33(48)42-27-20-21-30(41)31(25-27)43-36(50)34(35(49)38(3,4)5)52-37-44-45-46-47(37)28-16-13-12-14-17-28/h12-14,16-17,19-22,24-25,34H,10-11,15,18,23H2,1-9H3,(H,42,48)(H,43,50)

smiles:
O=C(NC1=CC=C(Cl)C(=C1)NC(=O)C(SC2=NN=NN2C=3C=CC=CC3)C(=O)C(C)(C)C)CCCOC4=CC=C(C=C4C(C)(C)CC)C(C)(C)CC


name: Pregn-4-ene-3,11,20-trione
cas: 516-15-4
chebiid: CHEBI:166773
formula: C21H28O3
inchikey: WKAVAGKRWFGIEA-DADBAOPHSA-N
norman_susdat_id: NS00044138
pubchem_cid: 94166
smiles: O=C1C=C2CCC3C(C(=O)CC4(C)C(C(=O)C)CCC34)C2(C)CC1
inchi:
InChI=1/C21H28O3/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/h10,15-17,19H,4-9,11H2,1-3H3


name: Taurochenodeoxycholic acid
cas: 516-35-8
chebiid: CHEBI:16525
chemspiderid: 17216027
formula: C26H45N1O6S1
inchikey: BHTRKEVKTKCXOH-BJLOMENOSA-N
norman_susdat_id: NS00015189
pubchem_cid: 387316
inchi:
InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1

smiles:
O[C@@H]1CC[C@]2([C@@H](C1)C[C@H]([C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](CCC(=NCCS(=O)(=O)O)O)C)C)O)C


name: 5-alpha-Dihydrocortisol
cas: 516-41-6
chemspiderid: 16735853
formula: C21H32O5
inchikey: ACSFOIGNUQUIGE-UHFFFAOYSA-N
norman_susdat_id: NS00040597
pubchem_cid: 12816693
smiles: CC12CC(O)C3C(CCC4CC(=O)CCC34C)C1CCC2(O)C(=O)CO
inchi:
InChI=1S/C21H32O5/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/h12,14-16,18,22,24,26H,3-11H2,1-2H3


name: 3β-Hydroxy-5α-pregnan-20-one
cas: 516-55-2
chebiid: CHEBI:11909
chemspiderid: 83761
formula: C21H34O2
inchikey: AURFZBICLPNKBZ-FZCSVUEKSA-N
norman_susdat_id: NS00014713
pubchem_cid: 92787
smiles: O=C(C)C2C1(CCC3C(C1CC2)CCC4C3(CCC(O)C4)C)C
inchi:
InChI=1S/C21H34O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14-19,23H,4-12H2,1-3H3/t14-,15-,16-,17+,18-,19-,20-,21+/m0/s1


name: 20-Hydroxycholesterol
cas: 516-72-3
dtxsid: DTXSID70862096
formula: C27H46O2
inchikey: MCKLJFJEQRYRQT-MGNSQDQZSA-N
norman_susdat_id: NS00069791
pubchem_cid: 440711
smiles: CC(C)CCC[C@@](C)(O)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
inchi:
InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27+/m0/s1


name: 5-a-ergost-7-en-3-ß-ol
cas: 516-78-9
formula: C28H48O
inchikey: PUGBZUWUTZUUCP-UHFFFAOYSA-N
norman_susdat_id: NS00044139
pubchem_cid: 86509
smiles: OC1CCC2(C)C3C(=CCC2C1)C4CCC(C(C)CCC(C)C(C)C)C4(C)CC3
inchi:
InChI=1/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h10,18-22,24-26,29H,7-9,11-17H2,1-6H3


name: 22,23-dihydroergosterol, non-irradiated
cas: 516-79-0
dtxsid: DTXSID60965924
formula: C28H46O
inchikey: ZKQRGSXITBHHPC-UHFFFAOYSA-N
norman_susdat_id: NS00044140
pubchem_cid: 101734
smiles: OC1CC2=CC=C3C(CCC4(C)C3CCC4C(C)CCC(C)C(C)C)C2(C)CC1
inchi:
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9-10,18-20,22,24-26,29H,7-8,11-17H2,1-6H3


name: 3ß-bromocholest-5-ene
cas: 516-91-6
dtxsid: DTXSID80883419
formula: C27H45Br
inchikey: WDRGNJZPWVRVSN-DPAQBDIFSA-N
norman_susdat_id: NS00044141
pubchem_cid: 11144831
smiles: BrC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1
inchi:
InChI=1/C27H45Br/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/h9,18-19,21-25H,6-8,10-17H2,1-5H3


name: Barium bis[2-chloro-5-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate]
cas: 5160-02-1
dtxsid: DTXSID3021229
formula: C17H13ClN2O4S
inchikey: POJOORKDYOPQLS-UHFFFAOYSA-L
norman_susdat_id: NS00046022
pubchem_cid: 21239
inchi:
InChI=1/2C17H13ClN2O4S.Ba/c2*1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2*2-9,21H,1H3,(H,22,23,24);/q;;+2/p-2

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


name: 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-N-(2-hydroxyethyl)-N-methyl-1-octanesulfonamide
cas: 51619-73-9
chemspiderid: 23351261
dtxsid: DTXSID40881355
formula: C11H12F13N1O3S1
inchikey: PYEYQMPFVPJZMR-UHFFFAOYSA-N
norman_susdat_id: NS00019108
pubchem_cid: NA
smiles: CN(CCO)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/C11H12F13NO3S/c1-25(3-4-26)29(27,28)5-2-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h26H,2-5H2,1H3


name: Undecyl hydrogen phthalate
cas: 51622-03-8
chemspiderid: 93824
dtxsid: DTXSID10199570
formula: C19H28O4
inchikey: CAZKHBNCZSWFFM-UHFFFAOYSA-N
norman_susdat_id: NS00032314
pubchem_cid: 103921
smiles: CCCCCCCCCCCOC(=O)c1c(cccc1)C(=O)O
inchi:
InChI=1S/C19H28O4/c1-2-3-4-5-6-7-8-9-12-15-23-19(22)17-14-11-10-13-16(17)18(20)21/h10-11,13-14H,2-9,12,15H2,1H3,(H,20,21)


name: Cefatrizine
cas: 51627-14-6
chebiid: CHEBI:131730
chemspiderid: 4918615
dtxsid: DTXSID7022752
formula: C18H18N6O5S2
inchikey: UOCJDOLVGGIYIQ-PBFPGSCMSA-N
norman_susdat_id: NS00011579
pubchem_cid: 6410758
smiles: c1cc(ccc1[C@H](C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)CSc4cnn[nH]4)C(=O)O)N)O
inchi:
InChI=1S/C18H18N6O5S2/c19-12(8-1-3-10(25)4-2-8)15(26)21-13-16(27)24-14(18(28)29)9(7-31-17(13)24)6-30-11-5-20-23-22-11/h1-5,12-13,17,25H,6-7,19H2,(H,21,26)(H,28,29)(H,20,22,23)/t12-,13-,17-/m1/s1


name: Cefaparole
cas: 51627-20-4
chemspiderid: 8588813
formula: C19H19N5O5S3
inchikey: SBUCDZYLTRYMFG-PBFPGSCMSA-N
norman_susdat_id: NS00011585
pubchem_cid: 10413379
smiles: CC1=NN=C(S1)SCC2=C(N3[C@@H]([C@@H](C3=O)NC(=O)[C@@H](C4=CC=C(C=C4)O)N)SC2)C(=O)O
inchi:
InChI=1S/C19H19N5O5S3/c1-8-22-23-19(32-8)31-7-10-6-30-17-13(16(27)24(17)14(10)18(28)29)21-15(26)12(20)9-2-4-11(25)5-3-9/h2-5,12-13,17,25H,6-7,20H2,1H3,(H,21,26)(H,28,29)/t12-,13-,17-/m1/s1


name: Fenvalerate
cas: 51630-58-1
chebiid: CHEBI:5014
chemspiderid: 3230
dtxsid: DTXSID3020621
formula: C25H22ClNO3
inchikey: NYPJDWWKZLNGGM-UHFFFAOYSA-N
norman_susdat_id: NS00099445
pubchem_cid: 3347
smiles: CC(C)C(c1ccc(cc1)Cl)C(=O)OC(C#N)c2cccc(c2)Oc3ccccc3
inchi:
InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3


name: Fluoresceinamine isomer II
cas: 51649-83-3
chemspiderid: 93827
dtxsid: DTXSID40199588
formula: C20H13N1O5
inchikey: YOAWSYSKQHLFPM-UHFFFAOYSA-N
norman_susdat_id: NS00006382
pubchem_cid: 103924
smiles: Nc1ccc2C(=O)OC3(c2c1)c1ccc(O)cc1Oc1cc(O)ccc31
inchi:
InChI=1S/C20H13NO5/c21-10-1-4-13-16(7-10)20(26-19(13)24)14-5-2-11(22)8-17(14)25-18-9-12(23)3-6-15(18)20/h1-9,22-23H,21H2


name: Sodium [3-(4-benzamido-6-methoxy-m-tolyl)-1-methyl-2-triazeno]acetate
cas: 5165-79-7
formula: C18H20N4O4.Na
inchikey: YHKSAWBGZZDDEA-UHFFFAOYSA-M
norman_susdat_id: NS00081788
smiles: COc1cc(NC(=O)c2ccccc2)c(cc1C)N=NN(C)CC(=O)O[Na]
inchi:
InChI=1/C18H20N4O4.Na/c1-12-9-15(20-21-22(2)11-17(23)24)14(10-16(12)26-3)19-18(25)13-7-5-4-6-8-13;/h4-10H,11H2,1-3H3,(H,19,25)(H,23,24);/q;+1/p-1


name: 2-Naphthalenecarboxamide, N-(4-chloro-2-methoxy-5-methylphenyl)-3-hydroxy-
cas: 5165-81-1
chemspiderid: 71179
dtxsid: DTXSID1063724
formula: C19H16Cl1N1O3
inchikey: COXPEQKIFMVQIO-UHFFFAOYSA-N
norman_susdat_id: NS00021186
pubchem_cid: 78844
smiles: COc1cc(Cl)c(C)cc1NC(=O)c1c(O)cc2ccccc2c1
inchi:
InChI=1S/C19H16ClNO3/c1-11-7-16(18(24-2)10-15(11)20)21-19(23)14-8-12-5-3-4-6-13(12)9-17(14)22/h3-10,22H,1-2H3,(H,21,23)


name: Sodium 2-[3-(4-benzamido-2,5-diethoxyphenyl)-1-methyl-2-triazen-]ethanesulphonate
cas: 5165-82-2
formula: C20H26N4O6S.Na
inchikey: INWDFEATIPCINK-UHFFFAOYSA-M
norman_susdat_id: NS00081789
smiles: CCOc1cc(N=NN(C)CCS(=O)(=O)O[Na])c(OCC)cc1NC(=O)c2ccccc2
inchi:
InChI=1/C20H26N4O6S.Na/c1-4-29-18-14-17(22-23-24(3)11-12-31(26,27)28)19(30-5-2)13-16(18)21-20(25)15-9-7-6-8-10-15;/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,21,25)(H,26,27,28);/q;+1/p-1/rC20H25N4NaO6S/c1-4-29-18-14-17(22-23-24(3)11-12-32(27,28)31-25)19(30-5-2)13-16(18)21-20(26)15-9-7-6-8-10-15/h6-10,13-14H,4-5,11-12H2,1-3H3,(H,21,26)


name: Phenol, 2-[(2-nitrophenyl)azo]-4-(1,1,3,3-tetramethylbutyl)-
cas: 51656-57-6
chemspiderid: 5004801
dtxsid: DTXSID5068657
formula: C20H25N3O3
inchikey: HOWCUYQDKCPWDV-UHFFFAOYSA-N
norman_susdat_id: NS00032319
pubchem_cid: NA
smiles: CC(C)(C)CC(C)(C)C1=C/C(=N/Nc2ccccc2[N+](=O)[O-])/C(=O)C=C1
inchi:
InChI=1S/C20H25N3O3/c1-19(2,3)13-20(4,5)14-10-11-18(24)16(12-14)22-21-15-8-6-7-9-17(15)23(25)26/h6-12,21H,13H2,1-5H3/b22-16-


name: 2,4,6-Tris((bis(2-hydroxyethyl)amino)methyl)phenol
cas: 51658-22-1
chemspiderid: 93830
dtxsid: DTXSID30199597
formula: C21H39N3O7
inchikey: XWRUCIJUEHCQDD-UHFFFAOYSA-N
norman_susdat_id: NS00032320
pubchem_cid: 103928
smiles: OCCN(CCO)Cc1cc(CN(CCO)CCO)c(O)c(CN(CCO)CCO)c1
inchi:
InChI=1S/C21H39N3O7/c25-7-1-22(2-8-26)15-18-13-19(16-23(3-9-27)4-10-28)21(31)20(14-18)17-24(5-11-29)6-12-30/h13-14,25-31H,1-12,15-17H2


name: 2,4,6-tris[[bis(2-hydroxypropyl)amino]methyl]phenol
cas: 51658-23-2
dtxsid: DTXSID70965950
formula: C27H51N3O7
inchikey: BWRQCLMICTXBSB-UHFFFAOYSA-N
norman_susdat_id: NS00057300
pubchem_cid: 103505
smiles: OC=1C(=CC(=CC1CN(CC(O)C)CC(O)C)CN(CC(O)C)CC(O)C)CN(CC(O)C)CC(O)C
inchi:
InChI=1/C27H51N3O7/c1-18(31)9-28(10-19(2)32)15-24-7-25(16-29(11-20(3)33)12-21(4)34)27(37)26(8-24)17-30(13-22(5)35)14-23(6)36/h7-8,18-23,31-37H,9-17H2,1-6H3


name: (Z)-octadec-9-enyl isovalerate
cas: 51677-68-0
formula: C23H44O2
inchikey: LOCNAPVACGRDIV-QXMHVHEDSA-N
norman_susdat_id: NS00058144
pubchem_cid: 6437025
smiles: O=C(OCCCCCCCCC=CCCCCCCCC)CC(C)C
inchi:
InChI=1/C23H44O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-23(24)21-22(2)3/h11-12,22H,4-10,13-21H2,1-3H3


cas: 51689-20-4
formula: C20H23AlN2O6S3
inchikey: BVKOWUFCEWJTEF-UHFFFAOYSA-M
norman_susdat_id: NS00088756
smiles: CC1(C)C2CCC1(CS(=O)(=O)O[Al](ON3C=CC=CC3=S)ON4C=CC=CC4=S)C(=O)C2
name:
(7,7-dimethyl-2-oxobicyclo[2.2.1]heptane-1-methanesulphonato-O1)bis(1-hydroxy-1H-pyridine-2-thionato-O,S)aluminium

inchi:
InChI=1/C10H16O4S.2C5H4NOS.Al/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;2*7-6-4-2-1-3-5(6)8;/h7H,3-6H2,1-2H3,(H,12,13,14);2*1-4H;/q;2*-1;+3/p-1/rC20H23AlN2O6S3/c1-19(2)15-9-10-20(19,16(24)13-15)14-32(25,26)29-21(27-22-11-5-3-7-17(22)30)28-23-12-6-4-8-18(23)31/h3-8,11-12,15H,9-10,13-14H2,1-2H3


name: 3,6-dihydroxynaphthalene-2,7-disulphonic acid, sodium salt
cas: 51690-40-5
formula: C10H8O8S2.xNa
inchikey: RBOYAXSCIXMVOY-UHFFFAOYSA-M
norman_susdat_id: NS00089232
smiles: Oc1cc2cc(O)c(cc2cc1S(=O)(=O)O)S(=O)(=O)O[Na]
inchi:
InChI=1/C10H8O8S2.Na/c11-7-1-5-2-8(12)10(20(16,17)18)4-6(5)3-9(7)19(13,14)15;/h1-4,11-12H,(H,13,14,15)(H,16,17,18);/q;+1/p-1/rC10H7NaO8S2/c11-19-21(17,18)10-4-6-3-9(20(14,15)16)7(12)1-5(6)2-8(10)13/h1-4,12-13H,(H,14,15,16)


name: Equilenin
cas: 517-09-9
chemspiderid: 10152
dtxsid: DTXSID2052156
formula: C18H18O2
inchikey: PDRGHUMCVRDZLQ-UHFFFAOYSA-N
norman_susdat_id: NS00002296
pubchem_cid: 10597
smiles: CC12CCc3c(ccc4cc(O)ccc34)C1CCC2=O
inchi:
InChI=1S/C18H18O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h2-5,10,16,19H,6-9H2,1H3


name: N-(ethylmercurio)toluene-4-sulphonanilide
cas: 517-16-8
formula: C15H17HgNO2S
inchikey: XAGAASDWSFGQEC-UHFFFAOYSA-N
norman_susdat_id: NS00080527
smiles: CC[Hg]N(c1ccccc1)S(=O)(=O)c2ccc(C)cc2
inchi:
InChI=1/C13H12NO2S.C2H5.Hg/c1-11-7-9-13(10-8-11)17(15,16)14-12-5-3-2-4-6-12;1-2;/h2-10H,1H3;1H2,2H3;/q-1;;+1/rC15H17HgNO2S/c1-3-16-17(14-7-5-4-6-8-14)20(18,19)15-11-9-13(2)10-12-15/h4-12H,3H2,1-2H3


name: Methallenestril
cas: 517-18-0
chemspiderid: 10154
dtxsid: DTXSID7023275
formula: C18H22O3
inchikey: KHLJKRBMZVNZOC-UHFFFAOYNA-N
norman_susdat_id: NS00032326
pubchem_cid: NA
smiles: CCC(c1cc2ccc(OC)cc2cc1)C(C)(C)C(=O)O
inchi:
InChI=1S/C18H22O3/c1-5-16(18(2,3)17(19)20)14-7-6-13-11-15(21-4)9-8-12(13)10-14/h6-11,16H,5H2,1-4H3,(H,19,20)/t16-/m1/s1


name: Hematoxylin
cas: 517-28-2
chemspiderid: 284102
dtxsid: DTXSID8020678
formula: C16H14O6
inchikey: WZUVPPKBWHMQCE-VYIIXAMBSA-N
norman_susdat_id: NS00015351
pubchem_cid: 45029742
smiles: C1C2=CC(=C(C=C2C3C1(COC4=C3C=CC(=C4O)O)O)O)O
inchi:
InChI=1S/C16H14O6/c17-10-2-1-8-13-9-4-12(19)11(18)3-7(9)5-16(13,21)6-22-15(8)14(10)20/h1-4,13,17-21H,5-6H2/t13?,16-/m0/s1


name: 9-(9H-Xanthen-9-ylidene)-9H-xanthene
cas: 517-45-3
chemspiderid: 61509
dtxsid: DTXSID80199648
formula: C26H16O2
inchikey: SXXWAWNPJCEOGD-UHFFFAOYSA-N
norman_susdat_id: NS00032329
pubchem_cid: 68202
smiles: O1c2c(cccc2)C(=C2c3c(Oc4c2cccc4)cccc3)c2c1cccc2
inchi:
InChI=1S/C26H16O2/c1-5-13-21-17(9-1)25(18-10-2-6-14-22(18)27-21)26-19-11-3-7-15-23(19)28-24-16-8-4-12-20(24)26/h1-16H


name: Naphthacene, 5,6,11,12-tetraphenyl-
cas: 517-51-1
chemspiderid: 61510
dtxsid: DTXSID8060161
formula: C42H28
inchikey: YYMBJDOZVAITBP-UHFFFAOYSA-N
norman_susdat_id: NS00032333
pubchem_cid: 68203
smiles: c1ccc(cc1)c1c2c(c3ccccc3)c3ccccc3c(c3ccccc3)c2c(c2ccccc2)c2ccccc12
inchi:
InChI=1S/C42H28/c1-5-17-29(18-6-1)37-33-25-13-14-26-34(33)39(31-21-9-3-10-22-31)42-40(32-23-11-4-12-24-32)36-28-16-15-27-35(36)38(41(37)42)30-19-7-2-8-20-30/h1-28H


name: Corytuberine
cas: 517-56-6
chebiid: CHEBI:81200
chemspiderid: 141039
dtxsid: DTXSID40199649
formula: C19H21NO4
inchikey: WHFUDAOCYRYAKQ-LBPRGKRZSA-N
norman_susdat_id: NS00094702
pubchem_cid: 160500
smiles: COC1=C(O)C2=C(C[C@@H]3N(C)CCC4=CC(OC)=C(O)C2=C34)C=C1
inchi:
InChI=1S/C19H21NO4/c1-20-7-6-11-9-14(24-3)19(22)17-15(11)12(20)8-10-4-5-13(23-2)18(21)16(10)17/h4-5,9,12,21-22H,6-8H2,1-3H3/t12-/m0/s1


name: Mellitic acid
cas: 517-60-2
chebiid: CHEBI:41089
chemspiderid: 2244
dtxsid: DTXSID50199650
formula: C12H6O12
inchikey: YDSWCNNOKPMOTP-UHFFFAOYSA-N
norman_susdat_id: NS00032334
pubchem_cid: 2334
smiles: OC(=O)c1c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O
inchi:
InChI=1S/C12H6O12/c13-7(14)1-2(8(15)16)4(10(19)20)6(12(23)24)5(11(21)22)3(1)9(17)18/h(H,13,14)(H,15,16)(H,17,18)(H,19,20)(H,21,22)(H,23,24)


name: Dicentrine
cas: 517-66-8
chebiid: CHEBI:81079
chemspiderid: 91532
dtxsid: DTXSID10199651
formula: C20H21NO4
inchikey: YJWBWQWUHVXPNC-AWEZNQCLSA-N
norman_susdat_id: NS00094624
pubchem_cid: 101300
smiles: COC1=C(OC)C=C2C(C[C@@H]3N(C)CCC4=CC5=C(OCO5)C2=C34)=C1
inchi:
InChI=1S/C20H21NO4/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19/h7-9,14H,4-6,10H2,1-3H3/t14-/m0/s1


name: 9(10H)-Acridinone, 1,2,3,4-tetramethoxy-10-methyl-
cas: 517-73-7
chebiid: CHEBI:6734
chemspiderid: 91488
dtxsid: DTXSID2075429
formula: C18H19N1O5
inchikey: URPVDDXMEZAEJY-UHFFFAOYSA-N
norman_susdat_id: NS00032342
pubchem_cid: 101253
smiles: COc1c(OC)c(OC)c2c(=O)c3c(cccc3)n(C)c2c1OC
inchi:
InChI=1S/C18H19NO5/c1-19-11-9-7-6-8-10(11)14(20)12-13(19)16(22-3)18(24-5)17(23-4)15(12)21-2/h6-9H,1-5H3


name: (S)-5,8-dihydroxy-2-(1-hydroxy-4-methylpent-3-enyl)-1,4-naphthoquinone
cas: 517-88-4
chebiid: CHEBI:2578
formula: C16H16O5
inchikey: NEZONWMXZKDMKF-JTQLQIEISA-N
norman_susdat_id: NS00080494
smiles: CC(=CC[C@H](O)C1=CC(=O)c2c(O)ccc(O)c2C1=O)C
inchi:
InChI=1/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3


name: (+)-Shikonin
cas: 517-89-5
chebiid: CHEBI:81068
chemspiderid: 5019
dtxsid: DTXSID30199653
formula: C16H16O5
inchikey: NEZONWMXZKDMKF-SNVBAGLBSA-N
norman_susdat_id: NS00018361
pubchem_cid: 479503
smiles: CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)O)C
inchi:
InChI=1S/C16H16O5/c1-8(2)3-4-10(17)9-7-13(20)14-11(18)5-6-12(19)15(14)16(9)21/h3,5-7,10,17-19H,4H2,1-2H3/t10-/m1/s1


name: Chrysamminic acid
cas: 517-92-0
chemspiderid: 3159834
dtxsid: DTXSID50199655
formula: C14H4N4O12
inchikey: YYOOOMNEONKALI-UHFFFAOYSA-N
norman_susdat_id: NS00032346
pubchem_cid: 3938245
smiles: Oc1c2C(=O)c3c(C(=O)c2c(cc1[N+](=O)[O-])[N+](=O)[O-])c(cc(c3O)[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C14H4N4O12/c19-11-5(17(27)28)1-3(15(23)24)7-9(11)14(22)10-8(13(7)21)4(16(25)26)2-6(12(10)20)18(29)30/h1-2,19-20H


name: 1,2-diphenyl-2-[(tetrahydro-2H-pyran-2-yl)oxy]ethan-1-one
cas: 51706-34-4
dtxsid: DTXSID30885968
formula: C19H20O3
inchikey: DNNDHIKCLIZHBH-UHFFFAOYSA-N
norman_susdat_id: NS00057301
pubchem_cid: 103509
smiles: O=C(C=1C=CC=CC1)C(OC2OCCCC2)C=3C=CC=CC3
inchi:
InChI=1/C19H20O3/c20-18(15-9-3-1-4-10-15)19(16-11-5-2-6-12-16)22-17-13-7-8-14-21-17/h1-6,9-12,17,19H,7-8,13-14H2


name: 4-[2-hydroxy-3-[(isopropyl)amino]propoxy]phenylacetamide hydrochloride
cas: 51706-40-2
formula: C14H22N2O3.ClH
inchikey: FFDDLJYKJQGSPW-UHFFFAOYSA-N
norman_susdat_id: NS00088795
smiles: Cl.CC(C)NCC(O)COc1ccc(CC(=O)N)cc1
inchi:
InChI=1/C14H22N2O3.ClH/c1-10(2)16-8-12(17)9-19-13-5-3-11(4-6-13)7-14(15)18;/h3-6,10,12,16-17H,7-9H2,1-2H3,(H2,15,18);1H


name: 3-amino-7-(diethylamino)-2-methylphenoxazin-5-ium tetrachlorozincate (2:1)
cas: 51716-96-2
chebiid: CHEBI:88168
formula: C17H20N3O.1/2Cl4Zn
inchikey: SIHASHFMDFXGSX-UHFFFAOYSA-J
norman_susdat_id: NS00088306
smiles: CCN(CC)c1ccc2nc3cc(C)c(N)cc3[o+]c2c1.CCN(CC)c4ccc5nc6cc(C)c(N)cc6[o+]c5c4.Cl[Zn-2](Cl)(Cl)Cl
inchi:
InChI=1/2C17H20N3O.4ClH.Zn/c2*1-4-20(5-2)12-6-7-14-16(9-12)21-17-10-13(18)11(3)8-15(17)19-14;;;;;/h2*6-10H,4-5,18H2,1-3H3;4*1H;/q2*+1;;;;;+2/p-4/r2C17H20N3O.Cl4Zn/c2*1-4-20(5-2)12-6-7-14-16(9-12)21-17-10-13(18)11(3)8-15(17)19-14;1-5(2,3)4/h2*6-10H,4-5,18H2,1-3H3;/q2*+1;-2


name: Cyclamiretin A
cas: 5172-34-9
chemspiderid: 12305336
formula: C30H48O4
inchikey: UBWMMEPLQFWYCH-GFRLSDCRSA-N
norman_susdat_id: NS00093729
pubchem_cid: 10264479
smiles:
C[C@@]1(CC[C@@]23CO[C@]4([C@@H]2C1)CC[C@@H]5[C@]6(CC[C@@H](C([C@@H]6CC[C@]5([C@@]4(C[C@H]3O)C)C)(C)C)O)C)C=O


cas: 51728-26-8
norman_susdat_id: NS00075860
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-[(1-oxo-2-propen-1-yl)oxy]-, ether with 2,2-bis(hydroxymethyl)-1,3-propanediol (4:1)


name: N4-Glycolyl-sulfamethoxazole (N4-Hydroxyacetyl-sulfamethoxazole)
cas: 51729-63-6
chemspiderid: NA
formula: C12H13N3O5S1
inchikey: ANSXKGJTRLIWST-UHFFFAOYSA-N
norman_susdat_id: NS00004993
pubchem_cid: NA
smiles: Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CO)cc2)no1
inchi:
InChI=1S/C12H13N3O5S/c1-8-6-11(14-20-8)15-21(18,19)10-4-2-9(3-5-10)13-12(17)7-16/h2-6,16H,7H2,1H3,(H,13,17)(H,14,15)


name: Octadecanoic acid, zinc salt, basic
cas: 51731-04-5
formula: -
inchikey: XYQFLAWRGBDQCI-UHFFFAOYSA-M
norman_susdat_id: NS00088309
smiles: [Zn+2].CCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H36O2.Zn/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;+2/p-1


name: Acetamide, N-[3-(dipropylamino)phenyl]-
cas: 51732-34-4
chemspiderid: 72416
dtxsid: DTXSID9068663
formula: C14H22N2O1
inchikey: XGXZHDLFQSBZQU-UHFFFAOYSA-N
norman_susdat_id: NS00032328
pubchem_cid: 103944
smiles: CCCN(CCC)c1cc(NC(=O)C)ccc1
inchi:
InChI=1S/C14H22N2O/c1-4-9-16(10-5-2)14-8-6-7-13(11-14)15-12(3)17/h6-8,11H,4-5,9-10H2,1-3H3,(H,15,17)


cas: 51740-66-0
dtxsid: DTXSID70966043
formula: C43H68O14
inchikey: UWAXBYUBRNIUHJ-UHFFFAOYSA-N
norman_susdat_id: NS00056371
pubchem_cid: NA
name:
Card-20(22)-enolide, 3-[(O-2,6-dideoxy-3,4-di-O-methyl-ß-d-ribo-hexopyranosyl-(1<U+2192>4)-O-2,6-dideoxy-ß-d-ribo-hexopyranosyl-(1<U+2192>4)-2,6-dideoxy-ß-d-ribo-hexopyranosyl)oxy]-12,14-dihydroxy-, (3ß,5ß,12ß)-

inchi:
InChI=1/C43H68O14/c1-21-38(50-7)30(44)17-35(52-21)56-39-22(2)53-36(18-31(39)45)57-40-23(3)54-37(19-32(40)49-6)55-26-10-12-41(4)25(15-26)8-9-28-29(41)16-33(46)42(5)27(11-13-43(28,42)48)24-14-34(47)51-20-24/h14,21-23,25-33,35-40,44-46,48H,8-13,15-20H2,1-7H3

smiles:
O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(C)C(OC7OC(C)C(OC8OC(C)C(OC)C(O)C8)C(O)C7)C(OC)C6)CCC5(C)C4CC(O)C23C


cas: 51740-69-3
dtxsid: DTXSID30966044
formula: C44H68O15
inchikey: TYDWQEDMABFJDJ-UHFFFAOYSA-N
norman_susdat_id: NS00056792
pubchem_cid: 103530
name:
Card-20(22)-enolide, 12-(acetyloxy)-3-[(O-2,6-dideoxy-4-O-methyl-ß-d-ribo-hexopyranosyl-(1<U+2192>4)-O-2,6-dideoxy-ß-d-ribo-hexopyranosyl-(1<U+2192>4)-2,6-dideoxy-ß-d-ribo-hexopyranosyl)oxy]-14-hydroxy-, (3ß,5ß,12ß)-

inchi:
InChI=1/C44H68O15/c1-21-39(51-7)31(46)17-37(53-21)58-41-23(3)55-38(19-33(41)48)59-40-22(2)54-36(18-32(40)47)57-27-10-12-42(5)26(15-27)8-9-29-30(42)16-34(56-24(4)45)43(6)28(11-13-44(29,43)50)25-14-35(49)52-20-25/h14,21-23,26-34,36-41,46-48,50H,8-13,15-20H2,1-7H3

smiles:
O=C1OCC(=C1)C2CCC3(O)C4CCC5CC(OC6OC(C)C(OC7OC(C)C(OC8OC(C)C(OC)C(O)C8)C(O)C7)C(O)C6)CCC5(C)C4CC(OC(=O)C)C23C


name: (24<U+03BE>)-ergosta-5,22(Z)-dien-3ß-ol
cas: 51744-68-4
formula: C28H46O
inchikey: JYNLSCLNQXLETI-UHFFFAOYSA-N
norman_susdat_id: NS00056893
pubchem_cid: NA
smiles: OC1C=C2CCC3C(CCC4(C)C(CCC34)C(C=CC(C)C(C)C)C)C2(C)CC1
inchi:
InChI=1/C28H46O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h7-8,17-20,22-26,29H,9-16H2,1-6H3


name: (E,E,E)-(±)-1-(8-hydroxy-6-methyl-1-oxododeca-2,4,6-trienyl)pyrrolidin-2-one
cas: 51744-78-6
formula: C17H25NO3
inchikey: ZYPGADGCNXOUJP-UHFFFAOYSA-N
norman_susdat_id: NS00088994
smiles: CCCCC(O)C=C(C)C=CC=CC(=O)N1CCCC1=O
inchi:
InChI=1/C17H25NO3/c1-3-4-9-15(19)13-14(2)8-5-6-10-16(20)18-12-7-11-17(18)21/h5-6,8,10,13,15,19H,3-4,7,9,11-12H2,1-2H3


name: Spiro[1H-isoindole-1,9'-[9H]xanthen]-3(2H)-one, 2-(2-chlorophenyl)-3',6'-bis(diethylamino)-
cas: 51750-84-6
chemspiderid: 71013
dtxsid: DTXSID9068665
formula: C34H34Cl1N3O2
inchikey: NWIBNQGTUBWBJE-UHFFFAOYSA-N
norman_susdat_id: NS00032332
pubchem_cid: 103951
smiles: CCN(CC)c1cc2c(cc1)C1(N(C(=O)c3c1cccc3)c1ccccc1Cl)c1ccc(cc1O2)N(CC)CC
inchi:
InChI=1S/C34H34ClN3O2/c1-5-36(6-2)23-17-19-27-31(21-23)40-32-22-24(37(7-3)8-4)18-20-28(32)34(27)26-14-10-9-13-25(26)33(39)38(34)30-16-12-11-15-29(30)35/h9-22H,5-8H2,1-4H3


name: Phenazepam
cas: 51753-57-2
chemspiderid: 36657
dtxsid: DTXSID00199685
formula: C15H10Br1Cl1N2O1
inchikey: CGMJQQJSWIRRRL-UHFFFAOYSA-N
norman_susdat_id: NS00010459
pubchem_cid: 40113
smiles: c1ccc(c(c1)C2=NCC(=O)Nc3c2cc(cc3)Br)Cl
inchi:
InChI=1S/C15H10BrClN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)


cas: 51759-76-3
formula: C31H41N7O6
inchikey: CBJWBVHEULLOMM-UHFFFAOYSA-N
norman_susdat_id: NS00056373
pubchem_cid: NA
smiles: O=CC(N(C(=O)CNC(=O)NC(C(=O)O)CC=1C=CC=CC1)C(C(=O)N)(CC(C)C)C2N=C(N)NCC2)CC=3C=CC=CC3
name:
L-2-(2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl)-N-[[(a-carboxyphenethyl)amino]carbonyl]glycyl-N-(a-formylphenethyl)-L-leucinamide, stereoisomer

inchi:
InChI=1/C31H41N7O6/c1-20(2)17-31(28(32)43,25-13-14-34-29(33)37-25)38(23(19-39)15-21-9-5-3-6-10-21)26(40)18-35-30(44)36-24(27(41)42)16-22-11-7-4-8-12-22/h3-12,19-20,23-25H,13-18H2,1-2H3,(H2,32,43)(H,41,42)(H3,33,34,37)(H2,35,36,44)


cas: 51759-77-4
dtxsid: DTXSID10966062
formula: C30H39N7O6
inchikey: BHUOMNOHBBYDEL-UHFFFAOYSA-N
norman_susdat_id: NS00057691
pubchem_cid: NA
smiles: O=CC(N(C(=O)CNC(=O)NC(C(=O)O)CC=1C=CC=CC1)C(C(=O)N)(C2N=C(N)NCC2)C(C)C)CC=3C=CC=CC3
name:
L-2-(2-amino-1,4,5,6-tetrahydro-4-pyridyl)-N-[[(1-carboxyphenethyl)amino]carbonyl]glycyl-N-(1-formylphenethyl)-L-valinamide, stereoisomer

inchi:
InChI=1/C30H39N7O6/c1-19(2)30(27(31)42,24-13-14-33-28(32)36-24)37(22(18-38)15-20-9-5-3-6-10-20)25(39)17-34-29(43)35-23(26(40)41)16-21-11-7-4-8-12-21/h3-12,18-19,22-24H,13-17H2,1-2H3,(H2,31,42)(H,40,41)(H3,32,33,36)(H2,34,35,43)


cas: 51759-78-5
dtxsid: DTXSID70966063
formula: C31H41N7O6
inchikey: KBIWQUXOUIKVCQ-UHFFFAOYSA-N
norman_susdat_id: NS00056374
pubchem_cid: NA
smiles: O=CC(N(C(=O)CNC(=O)NC(C(=O)O)CC=1C=CC=CC1)C(C(=O)N)(C2N=C(N)NCC2)C(C)CC)CC=3C=CC=CC3
name:
L-2-(2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl)-N-[[(a-carboxyphenethyl)amino]carbonyl]glycyl-N-(a-formylphenethyl)-L-isoleucinamide, stereoisomer

inchi:
InChI=1/C31H41N7O6/c1-3-20(2)31(28(32)43,25-14-15-34-29(33)37-25)38(23(19-39)16-21-10-6-4-7-11-21)26(40)18-35-30(44)36-24(27(41)42)17-22-12-8-5-9-13-22/h4-13,19-20,23-25H,3,14-18H2,1-2H3,(H2,32,43)(H,41,42)(H3,33,34,37)(H2,35,36,44)


name: Cefroxadine
cas: 51762-05-1
chebiid: CHEBI:31379
chemspiderid: 4447587
dtxsid: DTXSID1022768
formula: C16H19N3O5S1
inchikey: RDMOROXKXONCAL-UEKVPHQBSA-N
norman_susdat_id: NS00011580
pubchem_cid: 5284529
smiles: COC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)SC1)C(=O)O
inchi:
InChI=1S/C16H19N3O5S/c1-24-9-7-25-15-11(14(21)19(15)12(9)16(22)23)18-13(20)10(17)8-5-3-2-4-6-8/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23)/t10-,11-,15-/m1/s1


name: Doxantrazole
cas: 51762-95-9
chemspiderid: 36663
dtxsid: DTXSID70199692
formula: C14H8N4O3S1
inchikey: VIDCTSLIEZMQRF-UHFFFAOYSA-N
norman_susdat_id: NS00032339
pubchem_cid: 40119
smiles: O=C1c2c(cccc2)S(=O)(=O)c2c1ccc(c2)c1n[nH]nn1
inchi:
InChI=1S/C14H8N4O3S/c19-13-9-3-1-2-4-11(9)22(20,21)12-7-8(5-6-10(12)13)14-15-17-18-16-14/h1-7H,(H,15,16,17,18)


cas: 51764-33-1
formula: C26H26I6N2O10
inchikey: LNBGFESBSAEKAE-VRWDCWMNSA-N
norman_susdat_id: NS00056396
pubchem_cid: 23620848
name:
Bis[1-deoxy-1-(methylamino)-D-glucitol] 3,3'-[(1,16-dioxo-4,7,10,13-tetraoxahexadecane-1,16-diyl)diimino]bis[2,4,6-triiodobenzoate]

inchi:
InChI=1/C26H26I6N2O10.2C7H17NO5/c27-13-11-15(29)23(21(31)19(13)25(37)38)33-17(35)1-3-41-5-7-43-9-10-44-8-6-42-4-2-18(36)34-24-16(30)12-14(28)20(22(24)32)26(39)40;2*1-8-2-4(10)6(12)7(13)5(11)3-9/h11-12H,1-10H2,(H,33,35)(H,34,36)(H,37,38)(H,39,40);2*4-13H,2-3H2,1H3

smiles:
O=C(O)C=1C(I)=CC(I)=C(NC(=O)CCOCCOCCOCCOCCC(=O)NC2=C(I)C=C(I)C(C(=O)O)=C2I)C1I.OCC(O)C(O)C(O)C(O)CNC.OCC(O)C(O)C(O)C(O)CNC


name: Naphthalene-2,6-disulphonic acid, sodium salt
cas: 51770-80-0
formula: C10H8O6S2.xNa
inchikey: KIGTZFJYHJWZRL-UHFFFAOYSA-M
norman_susdat_id: NS00089031
smiles: [Na+].OS(=O)(=O)c1ccc2cc(ccc2c1)S(=O)(=O)[O-]
inchi:
InChI=1/C10H8O6S2.Na/c11-17(12,13)9-3-1-7-5-10(18(14,15)16)4-2-8(7)6-9;/h1-6H,(H,11,12,13)(H,14,15,16);/q;+1/p-1


name: Naphthalene-2,7-disulphonic acid, sodium salt
cas: 51770-81-1
formula: C10H8O6S2.xNa
inchikey: PVDQDEYXGXTPBP-UHFFFAOYSA-M
norman_susdat_id: NS00088348
smiles: [Na+].OS(=O)(=O)c1ccc2ccc(cc2c1)S(=O)(=O)[O-]
inchi:
InChI=1/C10H8O6S2.Na/c11-17(12,13)9-3-1-7-2-4-10(18(14,15)16)6-8(7)5-9;/h1-6H,(H,11,12,13)(H,14,15,16);/q;+1/p-1


name: 1-Naphthalenamine, N-[(1,1,3,3-tetramethylbutyl)phenyl]-
cas: 51772-35-1
chemspiderid: 36667
dtxsid: DTXSID80894707
formula: C24H29N1
inchikey: SNWVRVDHQRBBFG-UHFFFAOYSA-N
norman_susdat_id: NS00003232
pubchem_cid: 40123
smiles: CC(C)(C)CC(C)(C)N(c1ccccc1)c1cccc2ccccc12
inchi:
InChI=1S/C24H29N/c1-23(2,3)18-24(4,5)25(20-14-7-6-8-15-20)22-17-11-13-19-12-9-10-16-21(19)22/h6-17H,18H2,1-5H3


cas: 51773-47-8
dtxsid: DTXSID90966085
formula: C20H26O3
inchikey: ZXYHLOFRRMDJAQ-UHFFFAOYSA-N
norman_susdat_id: NS00057753
pubchem_cid: 103539
smiles: O=C1CCC(O)C1(CC=C2C3=CC=C(OC)C=C3CCC2)CC
name:
[2S-[2a(E),3ß]]-2-[2-(3,4-dihydro-6-methoxy-1(2H)-naphthylidene)ethyl]-2-ethyl-3-hydroxycyclopentan-1-one

inchi:
InChI=1/C20H26O3/c1-3-20(18(21)9-10-19(20)22)12-11-14-5-4-6-15-13-16(23-2)7-8-17(14)15/h7-8,11,13,18,21H,3-6,9-10,12H2,1-2H3


name: Jagilonic acid
cas: 51776-39-7
chemspiderid: 99610
formula: C30H46O7
inchikey: OWODMVTTWPVWQA-COFJZONBSA-N
norman_susdat_id: NS00093733
pubchem_cid: 89994
smiles:
C[C@@]1(CC[C@@]2(CC[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(C[C@@H]([C@@H]([C@@]5(C)CO)O)O)C)C)[C@@H]2C1)C)C(=O)O)C(=O)O


name: Carteolol
cas: 51781-06-7
chebiid: CHEBI:3437
chemspiderid: 2485
dtxsid: DTXSID3022746
formula: C16H24N2O3
inchikey: LWAFSWPYPHEXKX-UHFFFAOYSA-N
norman_susdat_id: NS00007545
pubchem_cid: 2583
smiles: CC(C)(C)NCC(O)COc1cccc2NC(=O)CCc12
inchi:
InChI=1S/C16H24N2O3/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20)


name: 5-[3-[(tert-butyl)amino]-2-hydroxypropoxy]-3,4-dihydro-2-quinolone monohydrochloride
cas: 51781-21-6
chebiid: CHEBI:3438
formula: C16H24N2O3.ClH
inchikey: FYBXRCFPOTXTJF-UHFFFAOYSA-N
norman_susdat_id: NS00089033
smiles: Cl.CC(C)(C)NCC(O)COc1cccc2NC(=O)CCc12
inchi:
InChI=1/C16H24N2O3.ClH/c1-16(2,3)17-9-11(19)10-21-14-6-4-5-13-12(14)7-8-15(20)18-13;/h4-6,11,17,19H,7-10H2,1-3H3,(H,18,20);1H


cas: 51798-33-5
dtxsid: DTXSID10897665
norman_susdat_id: NS00109478
name:
Poly[oxy[trifluoro(trifluoromethyl)-1,2-ethanediyl]], α-(1-carboxy-1,2,2,2-tetrafluoroethyl)-ω-[tetrafluoro(trifluoromethyl)ethoxy]-


cas: 51798-45-9
dtxsid: DTXSID60966118
formula: C21H36N8O7
inchikey: LFSCJWGKBOSDAO-UHFFFAOYSA-N
norman_susdat_id: NS00056459
pubchem_cid: 57112072
smiles: O=CC(NC(=O)C(NC(=O)CNC(=O)NC(C(=O)O)CC(C)C)(CCC(=O)N)C1N=C(N)NCC1)C
name:
L-2-(2-amino-1,4,5,6-tetrahydro-4-pyrimidinyl)-N-[[(1-carboxy-3-methylbutyl)amino]carbonyl]glycyl-N1-(1-methyl-2-oxoethyl)-L-glutamamide, stereoisomer

inchi:
InChI=1/C21H36N8O7/c1-11(2)8-13(17(33)34)27-20(36)25-9-16(32)29-21(6-4-15(22)31,18(35)26-12(3)10-30)14-5-7-24-19(23)28-14/h10-14H,4-9H2,1-3H3,(H2,22,31)(H,26,35)(H,29,32)(H,33,34)(H3,23,24,28)(H2,25,27,36)


cas: 51799-69-0
formula: C26H31N2Se2.Br
inchi: -
inchikey: AFDYKXLSOHPOJQ-UHFFFAOYSA-M
norman_susdat_id: NS00088582
smiles: [Br-].CC[n+]3c4cc(C)c(C)cc4[se]c3C=C(C)C=C2[Se]c1cc(C)c(C)cc1N2CC
name:
3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-3H-benzoselenazol-2-ylidene)-2-methylprop-1-enyl]-5,6-dimethylbenzoselenazolium bromide


name: (+)-Evodiamine
cas: 518-17-2
chebiid: CHEBI:4948
chemspiderid: 133343
formula: C19H17N3O1
inchikey: TXDUTHBFYKGSAH-SFHVURJKSA-N
norman_susdat_id: NS00018360
pubchem_cid: 442088
smiles: CN1C2C3=C(CCN2C(=O)C4=CC=CC=C41)C5=CC=CC=C5N3
inchi:
InChI=1S/C19H17N3O/c1-21-16-9-5-3-7-14(16)19(23)22-11-10-13-12-6-2-4-8-15(12)20-17(13)18(21)22/h2-9,18,20H,10-11H2,1H3/t18-/m0/s1


name: 3,4-dihydro-2-methoxy-2-methyl-4-phenylpyrano[3,2-c]chromen-5-one
cas: 518-20-7
chebiid: CHEBI:135368
dtxsid: DTXSID60862101
formula: C20H18O4
inchikey: ZGFASEKBKWVCGP-UHFFFAOYSA-N
norman_susdat_id: NS00044150
pubchem_cid: 10606
smiles: O=C1OC=2C=CC=CC2C=3OC(OC)(C)CC(C=4C=CC=CC4)C13
inchi:
InChI=1/C20H18O4/c1-20(22-2)12-15(13-8-4-3-5-9-13)17-18(24-20)14-10-6-7-11-16(14)23-19(17)21/h3-11,15H,12H2,1-2H3


name: Podofilox
cas: 518-28-5
chebiid: CHEBI:50305
chemspiderid: 10162
dtxsid: DTXSID3045645
formula: C22H22O8
inchikey: YJGVMLPVUAXIQN-XVVDYKMHSA-N
norman_susdat_id: NS00094687
pubchem_cid: 10607
smiles: COC1=CC(=CC(OC)=C1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)C2=CC3=C(OCO3)C=C12
inchi:
InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1


name: beta-Peltatin
cas: 518-29-6
chebiid: CHEBI:74867
chemspiderid: 83168
dtxsid: DTXSID10199732
formula: C22H22O8
inchikey: HLBPOYVRLSXWJJ-PDSMFRHLSA-N
norman_susdat_id: NS00094625
pubchem_cid: 92122
smiles: COC1=CC(=CC(OC)=C1OC)[C@H]1[C@@H]2[C@H](COC2=O)CC2=C(O)C3=C(OCO3)C=C12
inchi:
InChI=1S/C22H22O8/c1-25-14-5-10(6-15(26-2)20(14)27-3)17-12-7-16-21(30-9-29-16)19(23)13(12)4-11-8-28-22(24)18(11)17/h5-7,11,17-18,23H,4,8-9H2,1-3H3/t11-,17+,18-/m0/s1


name: Tetrandrine
cas: 518-34-3
chebiid: CHEBI:49
dtxsid: DTXSID10178062
formula: C38H42N2O6
inchikey: WVTKBKWTSCPRNU-KYJUHHDHSA-N
norman_susdat_id: NS00071807
pubchem_cid: 73078
smiles: COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3
inchi:
InChI=1S/C38H42N2O6/c1-39-15-13-25-20-32(42-4)34-22-28(25)29(39)17-23-7-10-27(11-8-23)45-33-19-24(9-12-31(33)41-3)18-30-36-26(14-16-40(30)2)21-35(43-5)37(44-6)38(36)46-34/h7-12,19-22,29-30H,13-18H2,1-6H3/t29-,30-/m0/s1


name: Benzoic acid, 2-(3,6-dihydroxy-9H-xanthen-9-yl)-
cas: 518-44-5
chebiid: CHEBI:42492
chemspiderid: 61512
dtxsid: DTXSID1075430
formula: C20H14O5
inchikey: MURGITYSBWUQTI-UHFFFAOYSA-N
norman_susdat_id: NS00020659
pubchem_cid: 68205
smiles: OC(=O)c1ccccc1C1c2ccc(O)cc2Oc2c1ccc(O)c2
inchi:
InChI=1S/C20H14O5/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24/h1-10,19,21-22H,(H,23,24)


name: Fluorescein sodium
cas: 518-47-8
chebiid: CHEBI:172923
chemspiderid: 3266
dtxsid: DTXSID9025328
formula: C20H12O5
inchikey: YKGGGCXBWXHKIZ-UHFFFAOYSA-N
norman_susdat_id: NS00013513
pubchem_cid: 3383
smiles: [Na+].[Na+].[O-]C(=O)c1ccccc1C2=C3C=CC(=O)C=C3Oc4cc([O-])ccc24
inchi:
InChI=1S/C20H12O5.2Na/c21-11-5-7-15-17(9-11)25-18-10-12(22)6-8-16(18)19(15)13-3-1-2-4-14(13)20(23)24;;/h1-10,21H,(H,23,24);;/q;2*+1/p-2


name: Phenolphthalein sodium
cas: 518-51-4
dtxsid: DTXSID3060162
formula: C20H14O4
inchikey: HAWFSFZXNWBZRU-UHFFFAOYSA-L
norman_susdat_id: NS00043659
pubchem_cid: 2735117
smiles: [Na+].[Na+].O=C1C=CC(C=C1)=C(C2=CC=C([O-])C=C2)C=3C=CC=CC3C(=O)[O-]
inchi:
InChI=1/C20H14O4.2Na/c21-15-9-5-13(6-10-15)19(14-7-11-16(22)12-8-14)17-3-1-2-4-18(17)20(23)24;;/h1-12,21H,(H,23,24);;/q;2*+1/p-2


name: Dimethoxanate hydrochloride
cas: 518-63-8
formula: C19H22N2O3S.ClH
inchikey: ZJRHNNNACBPWEB-UHFFFAOYSA-N
norman_susdat_id: NS00080528
smiles: Cl.CN(C)CCOCCOC(=O)N1c2ccccc2Sc3ccccc13
inchi:
InChI=1/C19H22N2O3S.ClH/c1-20(2)11-12-23-13-14-24-19(22)21-15-7-3-5-9-17(15)25-18-10-6-4-8-16(18)21;/h3-10H,11-14H2,1-2H3;1H


name: Dimidium
cas: 518-67-2
chemspiderid: 61514
formula: C20H18N3
inchikey: MRYUEHRAIMRPNB-UHFFFAOYSA-O
norman_susdat_id: NS00015405
pubchem_cid: NA
smiles: C[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N
inchi:
InChI=1S/C20H17N3/c1-23-19-12-15(22)8-10-17(19)16-9-7-14(21)11-18(16)20(23)13-5-3-2-4-6-13/h2-12,22H,21H2,1H3/p+1


name: Corydaline
cas: 518-69-4
chebiid: CHEBI:14027
chemspiderid: 91533
dtxsid: DTXSID90199735
formula: C22H27NO4
inchikey: VRSRXLJTYQVOHC-YEJXKQKISA-N
norman_susdat_id: NS00094840
pubchem_cid: 101301
smiles: COC1=C(OC)C=C2[C@H]3[C@@H](C)C4=C(CN3CCC2=C1)C(OC)=C(OC)C=C4
inchi:
InChI=1S/C22H27NO4/c1-13-15-6-7-18(24-2)22(27-5)17(15)12-23-9-8-14-10-19(25-3)20(26-4)11-16(14)21(13)23/h6-7,10-11,13,21H,8-9,12H2,1-5H3/t13-,21+/m0/s1


name: Citrinin
cas: 518-75-2
chebiid: CHEBI:48712
chemspiderid: 10166
dtxsid: DTXSID8020333
formula: C13H14O5
inchikey: CQIUKKVOEOPUDV-FSPLSTOPSA-N
norman_susdat_id: NS00032365
pubchem_cid: NA
smiles: C[C@H]1OC=C2C(=O)C(=C(O)O)C(=O)C(=C2[C@@H]1C)C
inchi:
InChI=1S/C13H14O5/c1-5-7(3)18-4-8-9(5)6(2)11(14)10(12(8)15)13(16)17/h4-5,7,16-17H,1-3H3/t5-,7-/m1/s1


name: 2,2',4,4',6,6'-Hexanitrodibenzyl
cas: 5180-53-0
chemspiderid: 122051
dtxsid: DTXSID60199742
formula: C14H8N6O12
inchikey: VCAOQUOHRYQAPU-UHFFFAOYSA-N
norman_susdat_id: NS00032347
pubchem_cid: 138431
inchi:
InChI=1S/C14H8N6O12/c21-15(22)7-3-11(17(25)26)9(12(4-7)18(27)28)1-2-10-13(19(29)30)5-8(16(23)24)6-14(10)20(31)32/h3-6H,1-2H2

smiles:
[O-][N+](=O)c1cc(c(CCc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])c(c1)[N+](=O)[O-])[N+](=O)[O-]


name: (1R)-3-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
cas: 51800-99-8
formula: C14H15F7O2
inchikey: PEWOESYEGLBLNR-OGIFLDNPSA-N
norman_susdat_id: NS00089035
smiles: CC1(C)C2CC[C@@]1(C)C(=O)C2C(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C14H15F7O2/c1-10(2)6-4-5-11(10,3)8(22)7(6)9(23)12(15,16)13(17,18)14(19,20)21/h6-7H,4-5H2,1-3H3


cas: 518045-14-2
dtxsid: DTXSID80882785
norman_susdat_id: NS00111671
name:
2-Propenoic acid, 2-methyl-, cyclohexyl ester, polymers with maleic anhydride, .gamma.- .omega.-perfluoro-C8-20-alkyl acrylate and 2,4,6-tris(2-propenyloxy)-1,3,5-triazine


cas: 518048-02-7
chemspiderid: 21168801
dtxsid: DTXSID80716298
formula: C24H25F1N4O5
inchikey: YSQDMQRPJOGQNV-UHFFFAOYSA-N
norman_susdat_id: NS00020829
pubchem_cid: 54725153
smiles: Cn1c(=O)c(O)c(nc1C(C)(C)NC(=O)OCc1ccccc1)C(=O)NCc1ccc(F)cc1
name:
Benzyl [2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)propan-2-yl]carbamate

inchi:
InChI=1S/C24H25FN4O5/c1-24(2,28-23(33)34-14-16-7-5-4-6-8-16)22-27-18(19(30)21(32)29(22)3)20(31)26-13-15-9-11-17(25)12-10-15/h4-12,30H,13-14H2,1-3H3,(H,26,31)(H,28,33)


cas: 518048-03-8
chemspiderid: 19932018
dtxsid: DTXSID50716265
formula: C16H19F1N4O3
inchikey: AQLZTHZLYFFVIJ-UHFFFAOYSA-N
norman_susdat_id: NS00002534
pubchem_cid: 54721880
smiles: Cn1c(nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O)C(C)(C)N
name:
2-(2-Aminopropan-2-yl)-N-[(4-fluorophenyl)methyl]-5-hydroxy-1-methyl-6-oxo-1,6-dihydropyrimidine-4-carboxamide

inchi:
InChI=1S/C16H19FN4O3/c1-16(2,18)15-20-11(12(22)14(24)21(15)3)13(23)19-8-9-4-6-10(17)7-5-9/h4-7,22H,8,18H2,1-3H3,(H,19,23)


name: Raltegravir
cas: 518048-05-0
chebiid: CHEBI:82960
chemspiderid: 16445111
dtxsid: DTXSID2048660
formula: C20H21F1N6O5
inchikey: CZFFBEXEKNGXKS-UHFFFAOYSA-N
norman_susdat_id: NS00015450
pubchem_cid: 54671008
smiles: CC1=NN=C(O1)C(=O)NC(C)(C)C2=NC(=C(C(=O)N2C)O)C(=O)NCC3=CC=C(C=C3)F
inchi:
InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)


name: Dimethyl (3-oxo-2-pentylcyclopentyl)malonate
cas: 51806-23-6
chemspiderid: 93486
dtxsid: DTXSID7029372
formula: C15H24O5
inchikey: ROZSFNKSMIZYLM-UHFFFAOYNA-N
norman_susdat_id: NS00032348
pubchem_cid: NA
smiles: CCCCCC1C(CCC1=O)C(C(=O)OC)C(=O)OC
inchi:
InChI=1S/C15H24O5/c1-4-5-6-7-10-11(8-9-12(10)16)13(14(17)19-2)15(18)20-3/h10-11,13H,4-9H2,1-3H3/t10-,11+/m0/s1


name: 1-(14-Bromotetradecyl)isoquinoline
cas: 51808-87-8
chemspiderid: 57514130
dtxsid: DTXSID70700863
formula: C23H34Br1N1
inchikey: QLTOJRNGCSPKGG-UHFFFAOYSA-N
norman_susdat_id: NS00005217
pubchem_cid: 53436147
smiles: BrCCCCCCCCCCCCCCc1nccc2ccccc12
inchi:
InChI=1S/C23H34BrN/c24-19-14-10-8-6-4-2-1-3-5-7-9-11-17-23-22-16-13-12-15-21(22)18-20-25-23/h12-13,15-16,18,20H,1-11,14,17,19H2


name: N-[3-(dimethylamino)propyl]-D-gluconamide
cas: 51812-79-4
formula: C11H24N2O6
inchikey: ZRQLLXVNSJXTAP-DOLQZWNJSA-N
norman_susdat_id: NS00056460
pubchem_cid: 103977
smiles: O=C(NCCCN(C)C)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1/C11H24N2O6/c1-13(2)5-3-4-12-11(19)10(18)9(17)8(16)7(15)6-14/h7-10,14-18H,3-6H2,1-2H3,(H,12,19)


name: QUATERNIUM-22
cas: 51812-80-7
chemspiderid: 36682
formula: C13H29N2O7
inchikey: GXXUNNMUTUOPQS-UHFFFAOYSA-O
norman_susdat_id: NS00014027
pubchem_cid: 21960604
smiles: [Cl-].C[N+](C)(CCO)CCCNC(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
inchi:
InChI=1S/C13H28N2O7.ClH/c1-15(2,6-7-16)5-3-4-14-13(22)12(21)11(20)10(19)9(18)8-17;/h9-12,16-21H,3-8H2,1-2H3;1H/t9-,10-,11+,12-;/m1./s1


name: N-(2-Ethylphenyl)-2,2,3,3,4,4,4-heptafluorobutanamide
cas: 51814-65-4
dtxsid: DTXSID80896100
formula: C12H10F7NO
inchikey: WSXDNDBZYMSYLA-UHFFFAOYSA-N
norman_susdat_id: NS00111787
smiles: CCc1ccccc1NC(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H10F7NO/c1-2-7-5-3-4-6-8(7)20-9(21)10(13,14)11(15,16)12(17,18)19/h3-6H,2H2,1H3,(H,20,21)


cas: 51815-14-6
formula: C40H66O12Sn
inchikey: TWRHTSNKOKOGCZ-WFTKVDHJSA-K
norman_susdat_id: NS00056461
pubchem_cid: 53437863
smiles: O=C(OCCCCCCCC)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OCCCCCCCC)(OC(=O)C=CC(=O)OCCCCCCCC)CCCC
name:
Octyl (Z,Z,Z)-6-butyl-6-[[4-(octyloxy)-1,4-dioxobut-2-enyl]oxy]-4,8,11-trioxo-5,7,12-trioxa-6-stannaicosa-2,9-dienoate

inchi:
InChI=1/3C12H20O4.C4H9.Sn/c3*1-2-3-4-5-6-7-10-16-12(15)9-8-11(13)14;1-3-4-2;/h3*8-9H,2-7,10H2,1H3,(H,13,14);1,3-4H2,2H3;/q;;;;+3/p-3/rC40H66O12Sn/c1-5-9-13-16-19-22-31-47-35(41)25-28-38(44)50-53(34-12-8-4,51-39(45)29-26-36(42)48-32-23-20-17-14-10-6-2)52-40(46)30-27-37(43)49-33-24-21-18-15-11-7-3/h25-30H,5-24,31-34H2,1-4H3


name: 1-Amino-2-bromo-4-((3-(dimethylamino)propyl)amino)anthraquinone
cas: 51818-35-0
chemspiderid: 83354
dtxsid: DTXSID80199769
formula: C19H20Br1N3O2
inchikey: PYNSDZJYUOHMQC-UHFFFAOYSA-N
norman_susdat_id: NS00032351
pubchem_cid: 103980
smiles: CN(C)CCCNc1c2C(=O)c3c(cccc3)C(=O)c2c(N)c(Br)c1
inchi:
InChI=1S/C19H20BrN3O2/c1-23(2)9-5-8-22-14-10-13(20)17(21)16-15(14)18(24)11-6-3-4-7-12(11)19(16)25/h3-4,6-7,10,22H,5,8-9,21H2,1-2H3


name: Trisodium naphthalene-1,3,6-trisulphonate
cas: 5182-30-9
formula: C10H8O9S3.3Na
inchikey: NJPKYOIXTSGVAN-UHFFFAOYSA-K
norman_susdat_id: NS00081538
smiles: [Na+].[Na+].[Na+].[O-]S(=O)(=O)c1ccc2c(cc(cc2c1)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H8O9S3.3Na/c11-20(12,13)7-1-2-9-6(3-7)4-8(21(14,15)16)5-10(9)22(17,18)19;;;/h1-5H,(H,11,12,13)(H,14,15,16)(H,17,18,19);;;/q;3*+1/p-3


name: Disodium hydrogen sulphonatophthalate
cas: 51821-29-5
formula: C8H6O7S.2Na
inchikey: BCGXFGYEIOZHET-UHFFFAOYSA-K
norman_susdat_id: NS00088584
smiles: [Na+].[Na+].[O-]C(=O)c1cccc(c1C(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C8H6O7S.2Na/c9-7(10)4-2-1-3-5(16(13,14)15)6(4)8(11)12;;/h1-3H,(H,9,10)(H,11,12)(H,13,14,15);;/q;2*+1/p-3


name: Sodium (Z)-N-methyl-N-9-octadecenylaminoacetate
cas: 51821-82-0
formula: C21H41NO2.Na
inchikey: CRUUTKINBOXHMH-UHFFFAOYSA-M
norman_susdat_id: NS00088620
smiles: CCCCCCCCC=CCCCCCCCCN(C)CC(=O)O[Na]
inchi:
InChI=1/C21H41NO2.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(2)20-21(23)24;/h10-11H,3-9,12-20H2,1-2H3,(H,23,24);/q;+1/p-1


name: 5-oxo-2'-salicyloyl-L-prolinohydrazide
cas: 51822-63-0
dtxsid: DTXSID40966156
formula: C12H13N3O4
inchikey: GSJXNPYYEXPWOH-UHFFFAOYSA-N
norman_susdat_id: NS00056908
pubchem_cid: 103549
smiles: O=C(NNC(=O)C1NC(=O)CC1)C=2C=CC=CC2O
inchi:
InChI=1/C12H13N3O4/c16-9-4-2-1-3-7(9)11(18)14-15-12(19)8-5-6-10(17)13-8/h1-4,8,16H,5-6H2,(H,13,17)(H,14,18)(H,15,19)


name: Calcium 3-methyl-2-oxobutyrate (1:2)
cas: 51828-94-5
formula: C5H8O3.1/2Ca
inchikey: BTKIGVWWAUAIOG-UHFFFAOYSA-L
norman_susdat_id: NS00088650
smiles: [CaH2].CC(C)C(=O)C(=O)[O-].CC(C)C(=O)C(=O)[O-]
inchi:
InChI=1/2C5H8O3.Ca.2H/c2*1-3(2)4(6)5(7)8;;;/h2*3H,1-2H3,(H,7,8);;;/q;;+2;;/p-2/r2C5H8O3.CaH2/c2*1-3(2)4(6)5(7)8;/h2*3H,1-2H3,(H,7,8);1H2/q;;+2/p-2


cas: 51829-30-2
dtxsid: DTXSID30966160
formula: C31H36Cl4N4O4
inchikey: PJAJBVFEORAXEN-UHFFFAOYSA-N
norman_susdat_id: NS00056502
pubchem_cid: 3016700
smiles: [I-].O=C(OCCCN1C2=CC(Cl)=C(Cl)C=C2N(C1=CC=CC3N(C4=CC(Cl)=C(Cl)C=C4[NH+]3CCCOC(=O)C)CC)CC)C
name:
1-[3-(acetoxy)propyl]-2-[3-[1-[3-(acetoxy)propyl]-5,6-dichloro-3-ethyl-1,3-dihydro-2H-benzimidazol-2-ylidene]-1-propenyl]-5,6-dichloro-3-ethyl-1H-benzimidazolium iodide

inchi:
InChI=1/C31H36Cl4N4O4.HI/c1-5-36-26-16-22(32)24(34)18-28(26)38(12-8-14-42-20(3)40)30(36)10-7-11-31-37(6-2)27-17-23(33)25(35)19-29(27)39(31)13-9-15-43-21(4)41;/h7,10-11,16-19,30H,5-6,8-9,12-15H2,1-4H3;1H


name: Angiotensin (1-7)
cas: 51833-78-4
chebiid: CHEBI:58922
dtxsid: DTXSID80866222
formula: C41H62N12O11
inchikey: PVHLMTREZMEJCG-GDTLVBQBSA-N
norman_susdat_id: NS00073118
pubchem_cid: 123805
inchi:
InChI=1S/C41H62N12O11/c1-5-22(4)33(38(61)50-29(17-24-19-45-20-47-24)39(62)53-15-7-9-30(53)40(63)64)52-36(59)28(16-23-10-12-25(54)13-11-23)49-37(60)32(21(2)3)51-35(58)27(8-6-14-46-41(43)44)48-34(57)26(42)18-31(55)56/h10-13,19-22,26-30,32-33,54H,5-9,14-18,42H2,1-4H3,(H,45,47)(H,48,57)(H,49,60)(H,50,61)(H,51,58)(H,52,59)(H,55,56)(H,63,64)(H4,43,44,46)/t22-,26-,27-,28-,29-,30-,32-,33-/m0/s1

smiles:
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CC(=O)O)C(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(=O)O


name: Hexadecyl hydrogen phthalate
cas: 51834-16-3
chemspiderid: 93883
dtxsid: DTXSID50199796
formula: C24H38O4
inchikey: VCLGPSQEYABDHT-UHFFFAOYSA-N
norman_susdat_id: NS00032356
pubchem_cid: 103986
smiles: CCCCCCCCCCCCCCCCOC(=O)c1c(cccc1)C(=O)O
inchi:
InChI=1S/C24H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-28-24(27)22-19-16-15-18-21(22)23(25)26/h15-16,18-19H,2-14,17,20H2,1H3,(H,25,26)


name: N-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Pentadecafluorooctyl)-P,P-bis(pentafluorophenyl)phosphinous amide
cas: 518358-34-4
dtxsid: DTXSID00896728
formula: C20H3F25NP
inchikey: RPEOQCBWVUKKRF-UHFFFAOYSA-N
norman_susdat_id: NS00109084
smiles: Fc1c(F)c(F)c(P(NCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
inchi:
InChI=1S/C20H3F25NP/c21-2-4(23)8(27)12(9(28)5(2)24)47(13-10(29)6(25)3(22)7(26)11(13)30)46-1-14(31,32)15(33,34)16(35,36)17(37,38)18(39,40)19(41,42)20(43,44)45/h46H,1H2


name: 4-hydroxy-3-[(4-methoxy-2-sulphophenyl)azo]-7-(methylamino)naphthalene-2-sulphonic acid
cas: 51838-10-9
dtxsid: DTXSID8068674
formula: C18H17N3O8S2
inchikey: QGFCDQHZQAEFLA-UHFFFAOYSA-N
norman_susdat_id: NS00057827
pubchem_cid: 103987
smiles: O=S(=O)(O)C1=CC(OC)=CC=C1N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)O)NC
inchi:
InChI=1/C18H17N3O8S2/c1-19-11-3-5-13-10(7-11)8-16(31(26,27)28)17(18(13)22)21-20-14-6-4-12(29-2)9-15(14)30(23,24)25/h3-9,19,22H,1-2H3,(H,23,24,25)(H,26,27,28)


name: Allamandicin
cas: 51838-83-6
chemspiderid: 281325
dtxsid: DTXSID50966167
formula: C15H16O7
inchikey: RMYLCIMGXGYTTK-UHFFFAOYSA-N
norman_susdat_id: NS00067902
pubchem_cid: 317838
inchi:
InChI=1S/C15H16O7/c1-6(16)9-11-15(22-13(9)18)4-3-7-8(12(17)19-2)5-20-14(21-11)10(7)15/h3-7,9-11,14,16H,1-2H3


name: Triethoxy(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silane
cas: 51851-37-7
dtxsid: DTXSID1074915
formula: C14H19F13O3Si
inchikey: AVYKQOAMZCAHRG-UHFFFAOYSA-N
norman_susdat_id: NS00056503
pubchem_cid: 103991
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Si](OCC)(OCC)OCC
inchi:
InChI=1/C14H19F13O3Si/c1-4-28-31(29-5-2,30-6-3)8-7-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h4-8H2,1-3H3


cas: 51858-17-4
dtxsid: DTXSID00889756
formula: C25H18N4O12S2
inchikey: JQARXPHCHCHRBV-UHFFFAOYSA-L
norman_susdat_id: NS00057841
pubchem_cid: NA
name:
Dipotassium dihydrogen 4-[5-[3-carboxylato-5-hydroxy-1-(4-sulphonatophenyl)-1H-pyrazol-4-yl]penta-2,4-dienylidene]-4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C25H18N4O12S2.2K.2H2/c30-22-18(20(24(32)33)26-28(22)14-6-10-16(11-7-14)42(36,37)38)4-2-1-3-5-19-21(25(34)35)27-29(23(19)31)15-8-12-17(13-9-15)43(39,40)41;;;;/h1-13,30H,(H,32,33)(H,34,35)(H,36,37,38)(H,39,40,41);;;2*1H/q;4*+1/p-4

smiles:
[H+].[H+].[K+].[K+].O=C([O-])C1=NN(C(=O)C1=CC=CC=CC=2C(=NN(C3=CC=C(C=C3)S(=O)(=O)[O-])C2O)C(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-]


name: Diethyl N-[4-(methylamino)benzoyl]-D-glutamate
cas: 51865-66-8
formula: C17H24N2O5
inchikey: WBYNXAAEBPJETG-CQSZACIVSA-N
norman_susdat_id: NS00088651
smiles: CCOC(=O)CC[C@@H](NC(=O)c1ccc(NC)cc1)C(=O)OCC
inchi:
InChI=1/C17H24N2O5/c1-4-23-15(20)11-10-14(17(22)24-5-2)19-16(21)12-6-8-13(18-3)9-7-12/h6-9,14,18H,4-5,10-11H2,1-3H3,(H,19,21)


name: D-(-)-N-(2,4-diamino-6-pteridinyl(dimethylamino)benzoyl)glutamic acid
cas: 51865-79-3
formula: C20H22N8O5
inchikey: JTYSJAIRKDCCLN-SNVBAGLBSA-N
norman_susdat_id: NS00057003
pubchem_cid: NA
smiles: O=C(O)CCC(NC(=O)C1=CC=CC(=C1C=2N=C3C(=NC2)N=C(N=C3N)N)N(C)C)C(=O)O
inchi:
InChI=1/C20H22N8O5/c1-28(2)12-5-3-4-9(18(31)25-10(19(32)33)6-7-13(29)30)14(12)11-8-23-17-15(24-11)16(21)26-20(22)27-17/h3-5,8,10H,6-7H2,1-2H3,(H,25,31)(H,29,30)(H,32,33)(H4,21,22,23,26,27)


name: 4-[(9,10-dihydro-9,10-dioxo-1-anthryl)azo]-3-hydroxy-2-naphthoic acid
cas: 51867-75-5
formula: C25H14N2O5
inchikey: FEIBQPLJMHRFMO-UHFFFAOYSA-N
norman_susdat_id: NS00056923
pubchem_cid: 103994
smiles: O=C(O)C1=CC=2C=CC=CC2C(N=NC3=CC=CC=4C(=O)C=5C=CC=CC5C(=O)C34)=C1O
inchi:
InChI=1/C25H14N2O5/c28-22-15-8-3-4-9-16(15)23(29)20-17(22)10-5-11-19(20)26-27-21-14-7-2-1-6-13(14)12-18(24(21)30)25(31)32/h1-12,30H,(H,31,32)


name: 4-[(2,5-dichlorophenyl)azo]-3-hydroxy-2-naphthoic acid
cas: 51867-77-7
dtxsid: DTXSID3068677
formula: C17H10Cl2N2O3
inchikey: RZUULGTVQSQSES-UHFFFAOYSA-N
norman_susdat_id: NS00056924
pubchem_cid: 103995
smiles: O=C(O)C1=CC=2C=CC=CC2C(N=NC3=CC(Cl)=CC=C3Cl)=C1O
inchi:
InChI=1/C17H10Cl2N2O3/c18-10-5-6-13(19)14(8-10)20-21-15-11-4-2-1-3-9(11)7-12(16(15)22)17(23)24/h1-8,22H,(H,23,24)


name: N-[2-[2-(2-Bromo-4,6-dinitrophenyl)diazenyl]-5-(di-2-propen-1-ylamino)-4-methoxyphenyl]acetamide
cas: 51868-46-3
chemspiderid: 71034
dtxsid: DTXSID8068678
formula: C21H21Br1N6O6
inchikey: WXDXQSMFRITTEJ-UHFFFAOYSA-N
norman_susdat_id: NS00019997
pubchem_cid: 103997
smiles: COc1c(cc(NC(=O)C)c(c1)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-])N(CC=C)CC=C
inchi:
InChI=1S/C21H21BrN6O6/c1-5-7-26(8-6-2)18-11-16(23-13(3)29)17(12-20(18)34-4)24-25-21-15(22)9-14(27(30)31)10-19(21)28(32)33/h5-6,9-12H,1-2,7-8H2,3-4H3,(H,23,29)/b25-24+


name: Ioseric acid
cas: 51876-99-4
formula: C15H16I3N3O7
inchikey: NPCYYZYVQAQDBM-UHFFFAOYSA-N
norman_susdat_id: NS00056925
pubchem_cid: 65444
smiles: O=C(O)C1=C(I)C(NC(=O)COC)=C(I)C(C(=O)NC(C(=O)NC)CO)=C1I
inchi:
InChI=1/C15H16I3N3O7/c1-19-13(24)5(3-22)20-14(25)7-9(16)8(15(26)27)11(18)12(10(7)17)21-6(23)4-28-2/h5,22H,3-4H2,1-2H3,(H,19,24)(H,20,25)(H,21,23)(H,26,27)


name: N,N',N''-phosphoryltris[N-phenylpropane-2-sulphenamide]
cas: 51877-44-2
dtxsid: DTXSID2068680
formula: C27H36N3OPS3
inchikey: GGYCZPMPPFOWSU-UHFFFAOYSA-N
norman_susdat_id: NS00056524
pubchem_cid: 104000
smiles: O=P(N(SC(C)C)C=1C=CC=CC1)(N(SC(C)C)C=2C=CC=CC2)N(SC(C)C)C=3C=CC=CC3
inchi:
InChI=1/C27H36N3OPS3/c1-22(2)33-28(25-16-10-7-11-17-25)32(31,29(34-23(3)4)26-18-12-8-13-19-26)30(35-24(5)6)27-20-14-9-15-21-27/h7-24H,1-6H3


name: (1R)-trans-Permethrin
cas: 51877-74-8
chemspiderid: 39931
dtxsid: DTXSID8058116
formula: C21H20Cl2O3
inchikey: RLLPVAHGXHCWKJ-MJGOQNOKSA-N
norman_susdat_id: NS00073897
pubchem_cid: 43859
smiles: CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)OCC1=CC=CC(OC2=CC=CC=C2)=C1
inchi:
InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19+/m1/s1


name: 2-chloro-10-[3-(4-methyl-1-piperazinyl)propyl]-10H-phenothiazine dimethanesulphonate
cas: 51888-09-6
chebiid: CHEBI:34932
formula: C20H24ClN3S.2CH4O3S
inchikey: BTOOUKJFDLARFG-UHFFFAOYSA-N
norman_susdat_id: NS00088363
smiles: CN1CCN(CCCN2c3ccccc3Sc4ccc(Cl)cc24)CC1.CS(=O)(=O)O.CS(=O)(=O)O
inchi:
InChI=1/C20H24ClN3S.2CH4O3S/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;2*1-5(2,3)4/h2-3,5-8,15H,4,9-14H2,1H3;2*1H3,(H,2,3,4)


name: 9,10-Anthracenedione, 1-amino-5-[(2,4-dibromophenyl)amino]-4,8-dihydroxy-
cas: 51889-17-9
chemspiderid: 93895
dtxsid: DTXSID7068681
formula: C20H12Br2N2O4
inchikey: ROMDDSWHQOFEBB-UHFFFAOYSA-N
norman_susdat_id: NS00032367
pubchem_cid: 104002
smiles: Nc1ccc(O)c2c1C(=O)c1c(O)ccc(Nc3ccc(Br)cc3Br)c1C2=O
inchi:
InChI=1S/C20H12Br2N2O4/c21-8-1-3-11(9(22)7-8)24-12-4-6-14(26)18-16(12)20(28)17-13(25)5-2-10(23)15(17)19(18)27/h1-7,24-26H,23H2


name: Cyclofenil diphenol
cas: 5189-40-2
chemspiderid: 2795
dtxsid: DTXSID80199845
formula: C19H20O2
inchikey: POEZOFHZEJTFHF-UHFFFAOYSA-N
norman_susdat_id: NS00019375
pubchem_cid: 21260
smiles: OC1=CC=C(C=C1)C(=C1CCCCC1)C1=CC=C(O)C=C1
inchi:
InChI=1S/C19H20O2/c20-17-10-6-15(7-11-17)19(14-4-2-1-3-5-14)16-8-12-18(21)13-9-16/h6-13,20-21H,1-5H2


name: Solanid-5-en-3-ol, hydrochloride, (3ß)-
cas: 5189-62-8
formula: C27H43NO.ClH
inchikey: GFSDTBOYJKNJHE-QQGZXNMISA-N
norman_susdat_id: NS00081540
smiles: Cl.C[C@H]1CC[C@@H]2[C@@H](C)[C@H]3[C@H](C[C@H]4[C@@H]5CC=C6C[C@@H](O)CC[C@]6(C)[C@H]5CC[C@]34C)N2C1
inchi:
InChI=1/C27H43NO.ClH/c1-16-5-8-23-17(2)25-24(28(23)15-16)14-22-20-7-6-18-13-19(29)9-11-26(18,3)21(20)10-12-27(22,25)4;/h6,16-17,19-25,29H,5,7-15H2,1-4H3;1H


cas: 51898-34-1
formula: C35H53NO3
inchikey: MSCCTZZBYHQMQJ-UHFFFAOYSA-N
norman_susdat_id: NS00088172
smiles: CC(C)CCCC(C)CCCC(C)CCCC1(C)CCc2c(C)c(OC(=O)c3cccnc3)c(C)c(C)c2O1
name:
[2R*(4R*,8R*)]-(±)-3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-2H-1-benzopyran-6-yl nicotinate

inchi:
InChI=1/C35H53NO3/c1-24(2)13-9-14-25(3)15-10-16-26(4)17-11-20-35(8)21-19-31-29(7)32(27(5)28(6)33(31)39-35)38-34(37)30-18-12-22-36-23-30/h12,18,22-26H,9-11,13-17,19-21H2,1-8H3


name: 6-methylergolin-8ß-amine
cas: 51898-44-3
dtxsid: DTXSID30966221
formula: C15H19N3
inchikey: KGUBZNRUCSWDAU-MPKXVKKWSA-N
norman_susdat_id: NS00057374
pubchem_cid: 20841698
smiles: NC1CN(C)C2CC3=CNC4=CC=CC(=C43)C2C1
inchi:
InChI=1/C15H19N3/c1-18-8-10(16)6-12-11-3-2-4-13-15(11)9(7-17-13)5-14(12)18/h2-4,7,10,12,14,17H,5-6,8,16H2,1H3


name: Matrine
cas: 519-02-8
chebiid: CHEBI:6700
chemspiderid: 82591
dtxsid: DTXSID00274188
formula: C15H24N2O
inchikey: ZSBXGIUJOOQZMP-JLNYLFASSA-N
norman_susdat_id: NS00066991
pubchem_cid: 91466
smiles: C1C[C@@H]2[C@H]3CCCN4[C@H]3[C@@H](CCC4)CN2C(=O)C1
inchi:
InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-/m0/s1


name: Benzoylecgonine
cas: 519-09-5
chemspiderid: 2250
dtxsid: DTXSID7046758
formula: C16H19N1O4
inchikey: GVGYEFKIHJTNQZ-UHFFFAOYSA-N
norman_susdat_id: NS00000407
pubchem_cid: 2340
smiles: CN1C2CCC1C(C(C2)OC(=O)C3=CC=CC=C3)C(=O)O
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)


name: Iothalamate meglumine
cas: 519-25-5
dtxsid: DTXSID90199856
formula: C18H26I3N3O9
inchikey: VLHUSFYMPUDOEL-RXKSVALXSA-N
norman_susdat_id: NS00076443
smiles: CNC[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)CO.CNC(=O)C1=C(I)C(C(O)=O)=C(I)C(NC(C)=O)=C1I
inchi:
InChI=1S/C11H9I3N2O4.C7H17NO5/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20;1-8-2-4(10)6(12)7(13)5(11)3-9/h1-2H3,(H,15,18)(H,16,17)(H,19,20);4-13H,2-3H2,1H3/t;4-,5+,6+,7+/m.1/s1


name: Disodium 1,4-dihydro-3,5-diiodo-1-methyl-4-oxopyridine-2,6-dicarboxylate
cas: 519-26-6
formula: C8H5I2NO5.2Na
inchikey: GMQNYSMZUWAAIN-UHFFFAOYSA-L
norman_susdat_id: NS00080529
smiles: [Na+].[Na+].CN1C(=C(I)C(=O)C(=C1C(=O)[O-])I)C(=O)[O-]
inchi:
InChI=1/C8H5I2NO5.2Na/c1-11-4(7(13)14)2(9)6(12)3(10)5(11)8(15)16;;/h1H3,(H,13,14)(H,15,16);;/q;2*+1/p-2


name: Sulochrin
cas: 519-57-3
chebiid: CHEBI:16159
chemspiderid: 141044
dtxsid: DTXSID80199860
formula: C17H16O7
inchikey: YJRLSCDUYLRBIZ-UHFFFAOYSA-N
norman_susdat_id: NS00011735
pubchem_cid: 160505
smiles: Cc1cc(c(c(c1)O)C(=O)c2c(cc(cc2OC)O)C(=O)OC)O
inchi:
InChI=1S/C17H16O7/c1-8-4-11(19)15(12(20)5-8)16(21)14-10(17(22)24-3)6-9(18)7-13(14)23-2/h4-7,18-20H,1-3H3


name: 2-DPMP
cas: 519-74-4
chemspiderid: 141045
formula: C18H21N1
inchikey: RWTNXJXZVGHMGI-UHFFFAOYSA-N
norman_susdat_id: NS00017679
pubchem_cid: 160506
smiles: C1CCNC(C1)C(C2=CC=CC=C2)C3=CC=CC=C3
inchi:
InChI=1S/C18H21N/c1-3-9-15(10-4-1)18(16-11-5-2-6-12-16)17-13-7-8-14-19-17/h1-6,9-12,17-19H,7-8,13-14H2


name: Ambucetamide
cas: 519-88-0
chebiid: CHEBI:135221
chemspiderid: 10171
dtxsid: DTXSID4057760
formula: C17H28N2O2
inchikey: WUSAVCGXMSWMQM-UHFFFAOYSA-N
norman_susdat_id: NS00001646
pubchem_cid: 10616
smiles: CCCCN(CCCC)C(C(N)=O)c1ccc(OC)cc1
inchi:
InChI=1S/C17H28N2O2/c1-4-6-12-19(13-7-5-2)16(17(18)20)14-8-10-15(21-3)11-9-14/h8-11,16H,4-7,12-13H2,1-3H3,(H2,18,20)


name: Florantyrone
cas: 519-95-9
chebiid: CHEBI:135279
chemspiderid: 10172
dtxsid: DTXSID3023055
formula: C20H14O3
inchikey: QOBAOSCOLAGPKI-UHFFFAOYSA-N
norman_susdat_id: NS00032399
pubchem_cid: 10617
smiles: OC(=O)CCC(=O)c1cc2c(cc1)c1cccc3cccc2c13
inchi:
InChI=1S/C20H14O3/c21-18(9-10-19(22)23)13-7-8-14-15-5-1-3-12-4-2-6-16(20(12)15)17(14)11-13/h1-8,11H,9-10H2,(H,22,23)


cas: 5190-63-6
chemspiderid: 9941
dtxsid: DTXSID0063733
formula: C23H23N3O1
inchikey: VANSFRDHZRBRTF-UHFFFAOYSA-N
norman_susdat_id: NS00032370
pubchem_cid: 111045
smiles: CN1c2ccccc2C(C)(C)/C/1=C/C=C/1C(=NN(C1=O)c1ccccc1)C
name:
3H-Pyrazol-3-one, 4-[(1,3-dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-2,4-dihydro-5-methyl-2-phenyl-

inchi:
InChI=1S/C23H23N3O/c1-16-18(22(27)26(24-16)17-10-6-5-7-11-17)14-15-21-23(2,3)19-12-8-9-13-20(19)25(21)4/h5-15H,1-4H3/b18-14+,21-15-


name: Ethyl 5-sulfanylidene-1,5-dihydro[1,2,3]triazolo[1,5-a]quinazoline-3-carboxylate
cas: 519056-58-7
chemspiderid: 2094715
dtxsid: DTXSID60384676
formula: C12H10N4O2S1
inchikey: GDDZTZMERREZGL-UHFFFAOYSA-N
norman_susdat_id: NS00017882
pubchem_cid: NA
smiles: CCOC(=O)c1c2nc(c3ccccc3n2nn1)S
inchi:
InChI=1S/C12H10N4O2S/c1-2-18-12(17)9-10-13-11(19)7-5-3-4-6-8(7)16(10)15-14-9/h3-6H,2H2,1H3,(H,13,19)


name: T-817
cas: 519187-23-6
formula: C16H21NO2S
inchikey: HQNACSFBDBYLJP-UHFFFAOYSA-N
norman_susdat_id: NS00069286
pubchem_cid: 9901946
smiles: OC1CN(CCCOCCc2ccc3sccc3c2)C1
inchi:
InChI=1S/C16H21NO2S/c18-15-11-17(12-15)6-1-7-19-8-4-13-2-3-16-14(10-13)5-9-20-16/h2-3,5,9-10,15,18H,1,4,6-8,11-12H2


cas: 51919-48-3
formula: C9H16N2O4
norman_susdat_id: NS00101536
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.'-[(4,4-dimethyl-2,5-dioxo-1,3-imidazolidinediyl)di-2,1-ethanediyl]bis[.omega.-hydroxy-


name: Trengestone
cas: 5192-84-7
formula: C21H25ClO2
inchikey: USXVMPAWZOOYDE-HGUQNLGYSA-N
norman_susdat_id: NS00045521
pubchem_cid: 20055054
smiles: O=C1C=CC2(C(=C1)C(Cl)=CC3C2CCC4(C)C(C(=O)C)CCC34)C
inchi:
InChI=1/C21H25ClO2/c1-12(23)15-4-5-16-14-11-19(22)18-10-13(24)6-8-21(18,3)17(14)7-9-20(15,16)2/h6,8,10-11,14-17H,4-5,7,9H2,1-3H3


cas: 51920-11-7
formula: C25H18ClN5O4
inchikey: KNJBSTFQRPCFFP-UHFFFAOYSA-N
norman_susdat_id: NS00057375
pubchem_cid: 104011
smiles: O=C1NC2=CC=C(C=C2N1)NC(=O)C3=CC=4C=CC=CC4C(N=NC5=CC=C(Cl)C=C5OC)=C3O
name:
4-[(4-chloro-2-methoxyphenyl)azo]-N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxynaphthalene-2-carboxamide

inchi:
InChI=1/C25H18ClN5O4/c1-35-21-11-14(26)6-8-19(21)30-31-22-16-5-3-2-4-13(16)10-17(23(22)32)24(33)27-15-7-9-18-20(12-15)29-25(34)28-18/h2-12,32H,1H3,(H,27,33)(H2,28,29,34)


cas: 51920-12-8
dtxsid: DTXSID2068686
formula: C27H24N6O6S
inchikey: YKGGTUUWVUHZIL-UHFFFAOYSA-N
norman_susdat_id: NS00056494
pubchem_cid: 104012
smiles: O=C1NC2=CC=C(C=C2N1)NC(=O)C3=CC=4C=CC=CC4C(N=NC=5C=C(C(=CC5OC)S(=O)(=O)NC)C)=C3O
name:
N-(2,3-dihydro-2-oxo-1H-benzimidazol-5-yl)-3-hydroxy-4-[[2-methoxy-5-methyl-4-[(methylamino)sulphonyl]phenyl]azo]naphthalene-2-carboxamide

inchi:
InChI=1/C27H24N6O6S/c1-14-10-21(22(39-3)13-23(14)40(37,38)28-2)32-33-24-17-7-5-4-6-15(17)11-18(25(24)34)26(35)29-16-8-9-19-20(12-16)31-27(36)30-19/h4-13,28,34H,1-3H3,(H,29,35)(H2,30,31,36)


name: N-docosyl-D-gluconamide
cas: 51920-48-0
formula: C28H57NO6
inchikey: DIYMKGLGMAHQBL-JVYGEBFASA-N
norman_susdat_id: NS00056495
pubchem_cid: 104013
smiles: O=C(NCCCCCCCCCCCCCCCCCCCCCC)C(O)C(O)C(O)C(O)CO
inchi:
InChI=1/C28H57NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29-28(35)27(34)26(33)25(32)24(31)23-30/h24-27,30-34H,2-23H2,1H3,(H,29,35)


name: 3-Amino-N-ethyl-4-phenoxy-N-phenylbenzenesulphonamide
cas: 51929-55-6
chemspiderid: 1581
dtxsid: DTXSID60199888
formula: C20H20N2O3S1
inchikey: GHUSPTPILIZGPQ-UHFFFAOYSA-N
norman_susdat_id: NS00032377
pubchem_cid: 1643
smiles: CCN(c1ccccc1)S(=O)(=O)c1cc(N)c(Oc2ccccc2)cc1
inchi:
InChI=1S/C20H20N2O3S/c1-2-22(16-9-5-3-6-10-16)26(23,24)18-13-14-20(19(21)15-18)25-17-11-7-4-8-12-17/h3-15H,2,21H2,1H3


name: 4-(3-heptadecyl-4,5-dihydro-4-methyl-5-oxo-1H-pyrazol-1-yl)benzenesulphonic acid
cas: 51929-92-1
dtxsid: DTXSID40966252
formula: C27H44N2O4S
inchikey: FYPRBIXLZLEHLW-UHFFFAOYSA-N
norman_susdat_id: NS00056068
pubchem_cid: 103556
smiles: O=C1N(N=C(CCCCCCCCCCCCCCCCC)C1C)C2=CC=C(C=C2)S(=O)(=O)O
inchi:
InChI=1/C27H44N2O4S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-23(2)27(30)29(28-26)24-19-21-25(22-20-24)34(31,32)33/h19-23H,3-18H2,1-2H3,(H,31,32,33)


name: N,N,N-trimethylanilinium toluene-p-sulphonate
cas: 51931-01-2
formula: C9H14N.C7H7O3S
inchikey: LNYAMYWNIGXAOL-UHFFFAOYSA-M
norman_susdat_id: NS00088173
smiles: Cc1ccc(cc1)S(=O)(=O)[O-].C[N+](C)(C)c2ccccc2
inchi:
InChI=1/C9H14N.C7H8O3S/c1-10(2,3)9-7-5-4-6-8-9;1-6-2-4-7(5-3-6)11(8,9)10/h4-8H,1-3H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1


name: 2,5-Diethyl-3,4-diphenylcyclopenta-2,4-dien-1-one
cas: 51932-77-5
chemspiderid: 93906
dtxsid: DTXSID30199890
formula: C21H20O1
inchikey: MTZCOHPDBKHNON-UHFFFAOYSA-N
norman_susdat_id: NS00032378
pubchem_cid: 104017
smiles: CCC1=C(C(=C(CC)C1=O)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C21H20O/c1-3-17-19(15-11-7-5-8-12-15)20(18(4-2)21(17)22)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3


name: Methyl N-(3-amino-2,4,6-triiodobenzoyl)-N-phenyl-ß-alaninate
cas: 51934-66-8
dtxsid: DTXSID40966257
formula: C17H15I3N2O3
inchikey: FXFJGDGAESIFGG-UHFFFAOYSA-N
norman_susdat_id: NS00056069
pubchem_cid: 104018
smiles: O=C(OC)CCN(C(=O)C=1C(I)=CC(I)=C(N)C1I)C=2C=CC=CC2
inchi:
InChI=1/C17H15I3N2O3/c1-25-13(23)7-8-22(10-5-3-2-4-6-10)17(24)14-11(18)9-12(19)16(21)15(14)20/h2-6,9H,7-8,21H2,1H3


name: N,N'-Bis(2,4,6-tribromophenyl)adipamide
cas: 51937-18-9
chemspiderid: 93908
dtxsid: DTXSID30199895
formula: C18H14Br6N2O2
inchikey: LOONXPZWUBCFHH-UHFFFAOYSA-N
norman_susdat_id: NS00032381
pubchem_cid: 104019
smiles: Brc1cc(Br)c(NC(=O)CCCCC(=O)Nc2c(Br)cc(Br)cc2Br)c(Br)c1
inchi:
InChI=1S/C18H14Br6N2O2/c19-9-5-11(21)17(12(22)6-9)25-15(27)3-1-2-4-16(28)26-18-13(23)7-10(20)8-14(18)24/h5-8H,1-4H2,(H,25,27)(H,26,28)


name: Pipemidic acid
cas: 51940-44-4
chebiid: CHEBI:75250
chemspiderid: 4665
dtxsid: DTXSID3023479
formula: C14H17N5O3
inchikey: JOHZPMXAZQZXHR-UHFFFAOYSA-N
norman_susdat_id: NS00000503
pubchem_cid: 6921791
smiles: O=C(O)C2=CN(c1nc(ncc1C2=O)N3CCNCC3)CC
inchi:
InChI=1S/C14H17N5O3/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19/h7-8,15H,2-6H2,1H3,(H,21,22)


name: 4-[3-(trifluoromethyl)phenyl]piperazine-1-ethyl 2-aminobenzoate
cas: 51941-08-3
dtxsid: DTXSID90966267
formula: C20H22F3N3O2
inchikey: LJCWCJMUWXDVKW-UHFFFAOYSA-N
norman_susdat_id: NS00056569
pubchem_cid: 104021
smiles: O=C(OCCN1CCN(C2=CC=CC(=C2)C(F)(F)F)CC1)C=3C=CC=CC3N
inchi:
InChI=1/C20H22F3N3O2/c21-20(22,23)15-4-3-5-16(14-15)26-10-8-25(9-11-26)12-13-28-19(27)17-6-1-2-7-18(17)24/h1-7,14H,8-13,24H2


name: 3-ethyl-2-[3-(3-ethyl-4-methyl-3H-thiazol-2-ylidene)prop-1-enyl]benzoxazolium iodide
cas: 51943-58-9
dtxsid: DTXSID00885975
formula: C18H21N2OS
inchikey: FBXXAHZNQDZBIF-UHFFFAOYSA-M
norman_susdat_id: NS00056570
pubchem_cid: NA
smiles: [I-].O1C=2C=CC=CC2[N+](=C1C=CC=C3SC=C(N3CC)C)CC
inchi:
InChI=1/C18H21N2OS.HI/c1-4-19-14(3)13-22-18(19)12-8-11-17-20(5-2)15-9-6-7-10-16(15)21-17;/h6-13H,4-5H2,1-3H3;1H/q+1;/p-1


name: Diethyl 2-[3-oxo-3-(2-oxocyclopentyl)propyl]-p-phenylene dicarbonate
cas: 51943-99-8
dtxsid: DTXSID80966271
formula: C16H16O8
inchikey: ABWZZHJXGUGDMT-UHFFFAOYSA-L
norman_susdat_id: NS00056588
pubchem_cid: NA
smiles: O=C([O-])OC1=CC=C(OC(=O)[O-])C(=C1)CCC(=O)C2C(=O)CCC2.CCCC
inchi:
InChI=1/C16H16O8.C4H10/c17-12-3-1-2-11(12)13(18)6-4-9-8-10(23-15(19)20)5-7-14(9)24-16(21)22;1-3-4-2/h5,7-8,11H,1-4,6H2,(H,19,20)(H,21,22);3-4H2,1-2H3/p-2


name: Octadecanamide, N,N'-[iminobis(2,1-ethanediylimino-2,1-ethanediyl)]bis-
cas: 51946-06-6
chemspiderid: 93912
dtxsid: DTXSID2068688
formula: C44H91N5O2
inchikey: WHUNDDWVZDKWHZ-UHFFFAOYSA-N
norman_susdat_id: NS00019905
pubchem_cid: 104023
smiles: CCCCCCCCCCCCCCCCCC(=O)NCCNCCNCCNCCNC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C44H91N5O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-43(50)48-41-39-46-37-35-45-36-38-47-40-42-49-44(51)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h45-47H,3-42H2,1-2H3,(H,48,50)(H,49,51)


name: 4-(Perfluoro(4-ethyl-3,4-dimethylhex-2-en-2-yl)oxy)benzene-1-sulfonyl chloride
cas: 51947-19-4
chemspiderid: 34998904
dtxsid: DTXSID7068689
formula: C16H4Cl1F19O3S1
inchikey: VOEFEIDNANPLSQ-BQYQJAHWSA-N
norman_susdat_id: NS00011145
pubchem_cid: 49791826
smiles: C1=CC(=CC=C1[S](Cl)(=O)=O)OC(C(F)(F)F)=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C16H4ClF19O3S/c17-40(37,38)6-3-1-5(2-4-6)39-8(11(21,22)23)7(10(18,19)20)9(14(28,29)30,12(24,25)15(31,32)33)13(26,27)16(34,35)36/h1-4H/b8-7+


name: 1-butyl-2,8,9-trioxa-5-aza-1-stannabicyclo[3.3.3]undecane
cas: 51952-23-9
dtxsid: DTXSID60199924
formula: C10H21NO3Sn
inchikey: KKTDQQOREFWRBZ-UHFFFAOYSA-N
norman_susdat_id: NS00056070
pubchem_cid: 16682841
smiles: O1CCN2CCO[Sn]1(OCC2)CCCC
inchi:
InChI=1/C6H12NO3.C4H9.Sn/c8-4-1-7(2-5-9)3-6-10;1-3-4-2;/h1-6H2;1,3-4H2,2H3;/q-3;;+3/rC10H21NO3Sn/c1-2-3-10-15-12-7-4-11(5-8-13-15)6-9-14-15/h2-10H2,1H3


name: Doxaprost
cas: 51953-95-8
chemspiderid: 16736949
formula: C21H36O4
inchikey: KTEHTTNELUAQFC-WJGHPKKGSA-N
norman_susdat_id: NS00010336
pubchem_cid: 20055478
smiles: OC(C)(/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(O)=O)CCCCC
inchi:
InChI=1S/C21H36O4/c1-3-4-9-15-21(2,25)16-14-17-12-13-19(22)18(17)10-7-5-6-8-11-20(23)24/h14,16-18,25H,3-13,15H2,1-2H3,(H,23,24)/b16-14+/t17-,18-,21?/m1/s1


name: Sodium [3-(4-chloro-2-methylphenyl)-1-methyltriazen-2-yl]acetate
cas: 51955-66-9
formula: C10H12ClN3O2.Na
inchikey: IXTPMNPIHPKBAQ-UHFFFAOYSA-M
norman_susdat_id: NS00089646
smiles: CN(CC(=O)O[Na])N=Nc1ccc(Cl)cc1C
inchi:
InChI=1/C10H12ClN3O2.Na/c1-7-5-8(11)3-4-9(7)12-13-14(2)6-10(15)16;/h3-5H,6H2,1-2H3,(H,15,16);/q;+1/p-1


name: 1-Butanamine, 4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
cas: 51959-14-9
chemspiderid: 93921
dtxsid: DTXSID6068692
formula: C20H35N1O1
inchikey: OZYOAOYHMMDTNZ-UHFFFAOYSA-N
norman_susdat_id: NS00032386
pubchem_cid: 104033
smiles: CCC(C)(C)c1ccc(OCCCCN)c(c1)C(C)(C)CC
inchi:
InChI=1S/C20H35NO/c1-7-19(3,4)16-11-12-18(22-14-10-9-13-21)17(15-16)20(5,6)8-2/h11-12,15H,7-10,13-14,21H2,1-6H3


name: N,N-dihexyl-5-oxopyrrolidine-2-carboxamide
cas: 51959-87-6
formula: C17H32N2O2
inchikey: OVTOJTYOERMOBJ-UHFFFAOYSA-N
norman_susdat_id: NS00090124
smiles: CCCCCCN(CCCCCC)C(=O)C1CCC(=O)N1
inchi:
InChI=1/C17H32N2O2/c1-3-5-7-9-13-19(14-10-8-6-4-2)17(21)15-11-12-16(20)18-15/h15H,3-14H2,1-2H3,(H,18,20)


name: 4-[(benzoyl-5-oxopyrrolidin-2-yl)carbonyl]morpholine
cas: 51959-90-1
formula: C16H18N2O4
inchikey: RUYWHIXOSWODCC-UHFFFAOYSA-N
norman_susdat_id: NS00058649
pubchem_cid: 103571
smiles: O=C(C=1C=CC=CC1)N2C(=O)CCC2C(=O)N3CCOCC3
inchi:
InChI=1/C16H18N2O4/c19-14-7-6-13(16(21)17-8-10-22-11-9-17)18(14)15(20)12-4-2-1-3-5-12/h1-5,13H,6-11H2


name: 1-benzoyl-N,N-dibutyl-5-oxopyrrolidine-2-carboxamide
cas: 51959-91-2
formula: C20H28N2O3
inchikey: ZASBADBZECAFKT-UHFFFAOYSA-N
norman_susdat_id: NS00089656
smiles: CCCCN(CCCC)C(=O)C1CCC(=O)N1C(=O)c2ccccc2
inchi:
InChI=1/C20H28N2O3/c1-3-5-14-21(15-6-4-2)20(25)17-12-13-18(23)22(17)19(24)16-10-8-7-9-11-16/h7-11,17H,3-6,12-15H2,1-2H3


name: 1-benzoyl-N,N-diethyl-5-oxopyrrolidine-2-carboxamide
cas: 51959-92-3
formula: C16H20N2O3
inchikey: BQWDCWDJASHHKV-UHFFFAOYSA-N
norman_susdat_id: NS00089438
smiles: CCN(CC)C(=O)C1CCC(=O)N1C(=O)c2ccccc2
inchi:
InChI=1/C16H20N2O3/c1-3-17(4-2)16(21)13-10-11-14(19)18(13)15(20)12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3


name: Stenbolone
cas: 5197-58-0
chebiid: CHEBI:34980
dtxsid: DTXSID70199935
formula: C20H30O2
inchikey: GYBGISLVORKLBN-YNZDMMAESA-N
norman_susdat_id: NS00067975
smiles: CC1=C[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@H]23)CC1=O
inchi:
InChI=1S/C20H30O2/c1-12-11-20(3)13(10-17(12)21)4-5-14-15-6-7-18(22)19(15,2)9-8-16(14)20/h11,13-16,18,22H,4-10H2,1-3H3/t13-,14-,15-,16-,18-,19-,20-/m0/s1


name: Disodium 4,4'-bis[[2-(hydroxyimino)-1-phenylethylidene]hydrazino]stilbene-2,2'-disulphonate
cas: 51980-71-3
formula: C30H26N6O8S2
inchikey: AXGOIJDXBQDUEA-RHFQYOAWSA-L
norman_susdat_id: NS00060077
pubchem_cid: NA
inchi:
InChI=1/C30H26N6O8S2.2Na/c37-31-19-27(21-7-3-1-4-8-21)35-33-25-15-13-23(29(17-25)45(39,40)41)11-12-24-14-16-26(18-30(24)46(42,43)44)34-36-28(20-32-38)22-9-5-2-6-10-22;;/h1-20,33-34,37-38H,(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(=CC=C1C=CC2=CC=C(C=C2S(=O)(=O)[O-])NN=C(C=NO)C=3C=CC=CC3)NN=C(C=NO)C=4C=CC=CC4


name: 2-methyl-5-phenyl-3-(3-sulphonatobutyl)benzoxazolium
cas: 51981-34-1
formula: C18H20NO4S
inchikey: LXYXJHCXGLHZPE-UHFFFAOYSA-N
norman_susdat_id: NS00058650
pubchem_cid: 104041
smiles: O=S(=O)([O-])C(C)CC[N+]=1C2=CC(=CC=C2OC1C)C=3C=CC=CC3
inchi:
InChI=1/C18H19NO4S/c1-13(24(20,21)22)10-11-19-14(2)23-18-9-8-16(12-17(18)19)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3


name: Pgg2
cas: 51982-36-6
chebiid: CHEBI:27647
dtxsid: DTXSID00866229
formula: C20H32O6
inchikey: SGUKUZOVHSFKPH-YNNPMVKQSA-N
norman_susdat_id: NS00070414
pubchem_cid: 5280883
smiles: CCCCC[C@@H](/C=C/[C@H]1[C@H]2C[C@H](OO2)[C@@H]1C/C=CCCCC(=O)O)OO
inchi:
InChI=1S/C20H32O6/c1-2-3-6-9-15(24-23)12-13-17-16(18-14-19(17)26-25-18)10-7-4-5-8-11-20(21)22/h4,7,12-13,15-19,23H,2-3,5-6,8-11,14H2,1H3,(H,21,22)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1


name: Benzyl (20ß)-3ß-hydroxy-12-oxoolean-12-en-29-oate
cas: 51984-75-9
dtxsid: DTXSID30966302
formula: C37H52O4
inchikey: UNRVOFRDIGTQBY-UHFFFAOYSA-N
norman_susdat_id: NS00058651
pubchem_cid: NA
smiles: O=C(OCC=1C=CC=CC1)C2(C)CCC3(C)CCC4(C(=CC(=O)C5C6(C)CCC(O)C(C)(C)C6CCC54C)C3C2)C
inchi:
InChI=1/C37H52O4/c1-32(2)28-13-16-37(7)30(35(28,5)15-14-29(32)39)27(38)21-25-26-22-34(4,18-17-33(26,3)19-20-36(25,37)6)31(40)41-23-24-11-9-8-10-12-24/h8-12,21,26,28-30,39H,13-20,22-23H2,1-7H3


name: 2,2'-Diethyl dihydrogen 4,4'-carbonylbisphthalate
cas: 51986-91-5
chemspiderid: 9968
dtxsid: DTXSID20199945
formula: C21H18O9
inchikey: GUELVDUBXBMBMG-UHFFFAOYSA-N
norman_susdat_id: NS00032396
pubchem_cid: 104044
smiles: CCOC(=O)c1cc(ccc1C(=O)O)C(=O)c1cc(C(=O)OCC)c(cc1)C(=O)O
inchi:
InChI=1S/C21H18O9/c1-3-29-20(27)15-9-11(5-7-13(15)18(23)24)17(22)12-6-8-14(19(25)26)16(10-12)21(28)30-4-2/h5-10H,3-4H2,1-2H3,(H,23,24)(H,25,26)


name: m-[[4-[(4-hydroxy-m-tolyl)azo]-3-methoxyphenyl]azo]benzenesulphonic acid
cas: 51988-22-8
formula: C20H18N4O5S
inchikey: MJYASUMWLWDELT-UHFFFAOYSA-N
norman_susdat_id: NS00090136
smiles: COc2cc(ccc2N=Nc1cc(C)c(O)cc1)N=Nc3cccc(c3)S(O)(=O)=O
inchi:
InChI=1/C20H18N4O5S/c1-13-10-15(7-9-19(13)25)23-24-18-8-6-16(12-20(18)29-2)22-21-14-4-3-5-17(11-14)30(26,27)28/h3-12,25H,1-2H3,(H,26,27,28)


name: Lithium 3-[[4-[(4-hydroxy-3-methylphenyl)azo]-3-methoxyphenyl]azo]benzenesulphonate
cas: 51988-24-0
formula: C20H18N4O5S.Li
inchikey: GRIZQMWEBPFUCN-UHFFFAOYSA-M
norman_susdat_id: NS00090137
smiles: [Li+].COc2cc(ccc2N=Nc1cc(C)c(O)cc1)N=Nc3cccc(c3)S([O-])(=O)=O
inchi:
InChI=1/C20H18N4O5S.Li/c1-13-10-15(7-9-19(13)25)23-24-18-8-6-16(12-20(18)29-2)22-21-14-4-3-5-17(11-14)30(26,27)28;/h3-12,25H,1-2H3,(H,26,27,28);/q;+1/p-1


name: N,N-diethyl-2'-methylspiro[2H-1-benzopyran-2,3'-[3H]naphtho[2,1-b]pyran]-7-amine
cas: 51988-28-4
dtxsid: DTXSID70966306
formula: C26H25NO2
inchikey: REHJAYRQNDAEBQ-UHFFFAOYSA-N
norman_susdat_id: NS00059189
pubchem_cid: 21117846
smiles: O1C2=CC=C3C=CC=CC3=C2C=C(C)C14OC=5C=C(C=CC5C=C4)N(CC)CC
inchi:
InChI=1/C26H25NO2/c1-4-27(5-2)21-12-10-20-14-15-26(29-25(20)17-21)18(3)16-23-22-9-7-6-8-19(22)11-13-24(23)28-26/h6-17H,4-5H2,1-3H3


name: Methyl 7-(diethylamino)-2'-methylspiro[2H-1-benzopyran-2,3'-[3H]naphtho[2,1-b]pyran]-5'-carboxylate
cas: 51988-29-5
dtxsid: DTXSID30966307
formula: C28H27NO4
inchikey: ISTVAESNCSYQNV-UHFFFAOYSA-N
norman_susdat_id: NS00060079
pubchem_cid: 103577
smiles: O=C(OC)C=1C=C2C=CC=CC2=C3C=C(C)C4(OC=5C=C(C=CC5C=C4)N(CC)CC)OC13
inchi:
InChI=1/C28H27NO4/c1-5-29(6-2)21-12-11-19-13-14-28(32-25(19)17-21)18(3)15-23-22-10-8-7-9-20(22)16-24(26(23)33-28)27(30)31-4/h7-17H,5-6H2,1-4H3


name: N,N-diethyl-3'-methyl-2,2'-spirobi[2H-1-benzopyran]-7-amine
cas: 51988-34-2
dtxsid: DTXSID90966308
formula: C22H23NO2
inchikey: WTUILHKBEDHSAX-UHFFFAOYSA-N
norman_susdat_id: NS00058652
pubchem_cid: 104047
smiles: O1C=2C=CC=CC2C=C(C)C13OC=4C=C(C=CC4C=C3)N(CC)CC
inchi:
InChI=1/C22H23NO2/c1-4-23(5-2)19-11-10-17-12-13-22(25-21(17)15-19)16(3)14-18-8-6-7-9-20(18)24-22/h6-15H,4-5H2,1-3H3


name: (1-Methylethylidene)bis(4,1-phenyleneoxy-3,1-propanediyl) diacrylate
cas: 51989-01-6
chemspiderid: 93934
dtxsid: DTXSID80199946
formula: C27H32O6
inchikey: LKJTVGPNIFDNOA-UHFFFAOYSA-N
norman_susdat_id: NS00032398
pubchem_cid: 104048
smiles: CC(C)(c1ccc(OCCCOC(=O)C=C)cc1)c1ccc(OCCCOC(=O)C=C)cc1
inchi:
InChI=1S/C27H32O6/c1-5-25(28)32-19-7-17-30-23-13-9-21(10-14-23)27(3,4)22-11-15-24(16-12-22)31-18-8-20-33-26(29)6-2/h5-6,9-16H,1-2,7-8,17-20H2,3-4H3


name: 2-Piperidinecarboxamide, 1-butyl-N-(3-hydroxy-2,6-dimethylphenyl)-
cas: 51989-46-9
dtxsid: DTXSID60439039
formula: C18H28N2O2
inchikey: APYKFYXYNIYHGU-UHFFFAOYSA-N
norman_susdat_id: NS00096932
smiles: CCCCN1CCCCC1C(=O)NC2=C(C=CC(=C2C)O)C
inchi:
InChI=1S/C18H28N2O2/c1-4-5-11-20-12-7-6-8-15(20)18(22)19-17-13(2)9-10-16(21)14(17)3/h9-10,15,21H,4-8,11-12H2,1-3H3,(H,19,22)


name: Calcium [(2,3-dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylamino]methanesulphonate
cas: 51996-59-9
formula: C13H17N3O4S.1/2Ca
inchikey: XKZGUGAVQVMMAD-UHFFFAOYSA-L
norman_susdat_id: NS00089679
smiles: [Ca+2].CN(CS(=O)(=O)[O-])C1=C(C)N(C)N(C1=O)c2ccccc2.CN(CS(=O)(=O)[O-])C3=C(C)N(C)N(C3=O)c4ccccc4
inchi:
InChI=1/2C13H17N3O4S.Ca/c2*1-10-12(14(2)9-21(18,19)20)13(17)16(15(10)3)11-7-5-4-6-8-11;/h2*4-8H,9H2,1-3H3,(H,18,19,20);/q;;+2/p-2


name: Spironolactone
cas: 52-01-7
chebiid: CHEBI:9241
chemspiderid: 5628
dtxsid: DTXSID6034186
formula: C24H32O4S1
inchikey: LXMSZDCAJNLERA-ZHYRCANASA-N
norman_susdat_id: NS00000424
pubchem_cid: 5833
smiles: O=C5O[C@@]4([C@@]3([C@H]([C@@H]2[C@H](SC(=O)C)C/C1=C/C(=O)CC[C@]1(C)[C@H]2CC3)CC4)C)CC5
inchi:
InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1


name: Prednisolone acetate
cas: 52-21-1
chebiid: CHEBI:8380
chemspiderid: 5629
dtxsid: DTXSID3023502
formula: C23H30O6
inchikey: LRJOMUJRLNCICJ-JZYPGELDSA-N
norman_susdat_id: NS00000181
pubchem_cid: 5834
smiles: CC(=O)OCC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C=C[C@]34C)O)C)O
inchi:
InChI=1S/C23H30O6/c1-13(24)29-12-19(27)23(28)9-7-17-16-5-4-14-10-15(25)6-8-21(14,2)20(16)18(26)11-22(17,23)3/h6,8,10,16-18,20,26,28H,4-5,7,9,11-12H2,1-3H3/t16-,17-,18-,20+,21-,22-,23-/m0/s1


name: Cyclobarbital
cas: 52-31-3
chebiid: CHEBI:134957
chemspiderid: 5632
dtxsid: DTXSID9022865
formula: C12H16N2O3
inchikey: WTYGAUXICFETTC-UHFFFAOYSA-N
norman_susdat_id: NS00004545
pubchem_cid: 5838
smiles: CCC1(C(=O)NC(=O)NC1=O)C1=CCCCC1
inchi:
InChI=1S/C12H16N2O3/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)


name: Aldosterone
cas: 52-39-1
chebiid: CHEBI:27584
chemspiderid: 5633
dtxsid: DTXSID7022419
formula: C21H28O5
inchikey: PQSUYGKTWSAVDQ-ZVIOFETBSA-N
norman_susdat_id: NS00014784
pubchem_cid: 5839
smiles: O=C(CO)C3C2(C=O)CC(O)C4C1(/C(=CC(=O)CC1)CCC4C2CC3)C
inchi:
InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1


name: Trihexyphenidyl hydrochloride
cas: 52-49-3
chebiid: CHEBI:9721
dtxsid: DTXSID8045802
formula: C20H32ClNO
inchikey: QDWJJTJNXAKQKD-UHFFFAOYSA-N
norman_susdat_id: NS00076433
smiles: Cl.OC(CCN1CCCCC1)(C1CCCCC1)C1=CC=CC=C1
inchi:
InChI=1/C20H31NO.ClH/c22-20(18-10-4-1-5-11-18,19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21;/h1,4-5,10-11,19,22H,2-3,6-9,12-17H2;1H


name: (+/-)-Verapamil
cas: 52-53-9
chebiid: CHEBI:77733
chemspiderid: 2425
dtxsid: DTXSID9041152
formula: C27H38N2O4
inchikey: SGTNSNPWRIOYBX-UHFFFAOYSA-N
norman_susdat_id: NS00000313
pubchem_cid: 2520
smiles: COC1=C(OC)C=CC(C(C(C)C)(C#N)CCCN(CCC2=CC(OC)=C(OC)C=C2)C)=C1
inchi:
InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3


name: Pentolonium tartrate
cas: 52-62-0
chebiid: CHEBI:55326
dtxsid: DTXSID5045542
formula: C15H32N2
inchikey: HSMKTIKKPMTUQH-WBPXWQEISA-L
norman_susdat_id: NS00041352
pubchem_cid: 5850
smiles: O=C([O-])C(O)C(O)C(=O)O.O=C([O-])C(O)C(O)C(=O)O.C[N+]1(CCCCC[N+]2(C)CCCC2)CCCC1
inchi:
InChI=1/C15H32N2.2C4H6O6/c1-16(12-6-7-13-16)10-4-3-5-11-17(2)14-8-9-15-17;2*5-1(3(7)8)2(6)4(9)10/h3-15H2,1-2H3;2*1-2,5-6H,(H,7,8)(H,9,10)/q+2;;/p-2


name: 6a,9-difluoro-11ß,17,21-trihydroxypregna-1,4-diene-3,20-dione 21-acetate
cas: 52-70-0
dtxsid: DTXSID90966323
formula: C23H28F2O6
inchikey: LAAFISZDLHQNFS-WGFKBPOKSA-N
norman_susdat_id: NS00041160
pubchem_cid: 101528
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CCC(O)(C(=O)COC(=O)C)C4(C)CC(O)C32F)C
inchi:
InChI=1/C23H28F2O6/c1-12(26)31-11-19(29)22(30)7-5-14-15-9-17(24)16-8-13(27)4-6-20(16,2)23(15,25)18(28)10-21(14,22)3/h4,6,8,14-15,17-18,28,30H,5,7,9-11H2,1-3H3


name: Lynestrenol
cas: 52-76-6
chebiid: CHEBI:31790
chemspiderid: 5648
dtxsid: DTXSID4021478
formula: C20H28O1
inchikey: YNVGQYHLRCDXFQ-XGXHKTLJSA-N
norman_susdat_id: NS00003323
pubchem_cid: 5857
smiles: C[C@]12CC[C@H]3[C@@H](CCC4=CCCC[C@H]34)[C@@H]1CC[C@@]2(O)C#C
inchi:
InChI=1S/C20H28O/c1-3-20(21)13-11-18-17-9-8-14-6-4-5-7-15(14)16(17)10-12-19(18,20)2/h1,6,15-18,21H,4-5,7-13H2,2H3/t15-,16+,17+,18-,19-,20-/m0/s1


name: Norethandrolone
cas: 52-78-8
chebiid: CHEBI:135282
chemspiderid: 5649
dtxsid: DTXSID0023379
formula: C20H30O2
inchikey: ZDHCJEIGTNNEMY-XGXHKTLJSA-N
norman_susdat_id: NS00000172
pubchem_cid: 5858
smiles: CC[C@@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@H]34)C)O
inchi:
InChI=1S/C20H30O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h12,15-18,22H,3-11H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1


name: Haloperidol
cas: 52-86-8
chebiid: CHEBI:5613
chemspiderid: 3438
dtxsid: DTXSID4034150
formula: C21H23Cl1F1N1O2
inchikey: LNEPOXFFQSENCJ-UHFFFAOYSA-N
norman_susdat_id: NS00010402
pubchem_cid: 3559
smiles: C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(=O)C3=CC=C(C=C3)F
inchi:
InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2


name: Atropine methonitrate
cas: 52-88-0
dtxsid: DTXSID0045543
formula: C18H26NO3
inchikey: NEDVJZNVOSNSHF-KUMOIWDRSA-N
norman_susdat_id: NS00041161
pubchem_cid: 5861
smiles: O=C(OC1CC2CCC(C1)[N+]2(C)C)C(C=3C=CC=CC3)CO.O=[N+]([O-])[O-]
inchi:
InChI=1/C18H26NO3.NO3/c1-19(2)14-8-9-15(19)11-16(10-14)22-18(21)17(12-20)13-6-4-3-5-7-13;2-1(3)4/h3-7,14-17,20H,8-12H2,1-2H3;/q+1;-1


name: Phenazone salicylate
cas: 520-07-0
formula: C11H12N2O.C7H6O3
inchikey: WQAQKERCWPUIMH-UHFFFAOYSA-N
norman_susdat_id: NS00080290
smiles: CN1N(C(=O)C=C1C)c2ccccc2.OC(=O)c3ccccc3O
inchi:
InChI=1/C11H12N2O.C7H6O3/c1-9-8-11(14)13(12(9)2)10-6-4-3-5-7-10;8-6-4-2-1-3-5(6)7(9)10/h3-8H,1-2H3;1-4,8H,(H,9,10)


name: 6-Methoxyluteolin
cas: 520-11-6
dtxsid: DTXSID10199959
formula: C16H12O7
inchikey: FHHSEFRSDKWJKJ-UHFFFAOYSA-N
norman_susdat_id: NS00097277
smiles: COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O)O
inchi:
InChI=1S/C16H12O7/c1-22-16-11(20)6-13-14(15(16)21)10(19)5-12(23-13)7-2-3-8(17)9(18)4-7/h2-6,17-18,20-21H,1H3


name: Pectolinarigenin
cas: 520-12-7
chebiid: CHEBI:81336
chemspiderid: 4478521
dtxsid: DTXSID20199960
formula: C17H14O6
inchikey: GPQLHGCIAUEJQK-UHFFFAOYSA-N
norman_susdat_id: NS00032401
pubchem_cid: 5320438
smiles: COc1ccc(cc1)c1cc(=O)c2c(o1)cc(O)c(OC)c2O
inchi:
InChI=1S/C17H14O6/c1-21-10-5-3-9(4-6-10)13-7-11(18)15-14(23-13)8-12(19)17(22-2)16(15)20/h3-8,19-20H,1-2H3


name: Hesperidin
cas: 520-26-3
chebiid: CHEBI:28775
chemspiderid: 10176
dtxsid: DTXSID9044328
formula: C28H34O15
inchikey: QUQPHWDTPGMPEX-QJBIFVCTSA-N
norman_susdat_id: NS00008545
pubchem_cid: 10621
inchi:
InChI=1S/C28H34O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-7,10,17,19,21-30,32-37H,8-9H2,1-2H3/t10-,17-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1

smiles:
COc1ccc(cc1O)[C@@H]1CC(=O)c2c(O)cc(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)cc2O1


name: Diosmin
cas: 520-27-4
chebiid: CHEBI:4631
chemspiderid: 4444932
dtxsid: DTXSID4045892
formula: C28H32O15
inchikey: GZSOSUNBTXMUFQ-YFAPSIMESA-N
norman_susdat_id: NS00005135
pubchem_cid: 5281613
inchi:
InChI=1S/C28H32O15/c1-10-21(32)23(34)25(36)27(40-10)39-9-19-22(33)24(35)26(37)28(43-19)41-12-6-14(30)20-15(31)8-17(42-18(20)7-12)11-3-4-16(38-2)13(29)5-11/h3-8,10,19,21-30,32-37H,9H2,1-2H3/t10-,19+,21-,22+,23+,24-,25+,26+,27+,28+/m0/s1

smiles:
COc1ccc(cc1O)-c1cc(=O)c2c(O)cc(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)cc2o1


name: Tricetin
cas: 520-31-0
chebiid: CHEBI:507499
chemspiderid: 4445018
dtxsid: DTXSID60199964
formula: C15H10O7
inchikey: ARSRJFRKVXALTF-UHFFFAOYSA-N
norman_susdat_id: NS00015068
pubchem_cid: 5281701
smiles: C1=C(C=C(C(=C1O)O)O)C2=CC(=O)C3=C(C=C(C=C3O2)O)O
inchi:
InChI=1S/C15H10O7/c16-7-3-8(17)14-9(18)5-12(22-13(14)4-7)6-1-10(19)15(21)11(20)2-6/h1-5,16-17,19-21H


name: Hesperetin
cas: 520-33-2
chebiid: CHEBI:28230
chemspiderid: 3467
dtxsid: DTXSID4022319
formula: C16H14O6
inchikey: AIONOLUJZLIMTK-AWEZNQCLSA-N
norman_susdat_id: NS00014845
pubchem_cid: 72281
smiles: COC1=C(C=C(C=C1)C2CC(=O)C3=C(C=C(C=C3O2)O)O)O
inchi:
InChI=1S/C16H14O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-6,14,17-19H,7H2,1H3/t14-/m0/s1


name: Diosmetin
cas: 520-34-3
chebiid: CHEBI:4630
chemspiderid: 4444931
dtxsid: DTXSID80199966
formula: C16H12O6
inchikey: MBNGWHIJMBWFHU-UHFFFAOYSA-N
norman_susdat_id: NS00014641
pubchem_cid: 5281612
smiles: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O
inchi:
InChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3


name: Psilocybin
cas: 520-52-5
chebiid: CHEBI:8614
chemspiderid: 10178
dtxsid: DTXSID0048898
formula: C12H17N2O4P1
inchikey: QVDSEJDULKLHCG-UHFFFAOYSA-N
norman_susdat_id: NS00008179
pubchem_cid: 10624
smiles: CN(C)CCc1c[nH]c2cccc(OP(O)(O)=O)c12
inchi:
InChI=1S/C12H17N2O4P/c1-14(2)7-6-9-8-13-10-4-3-5-11(12(9)10)18-19(15,16)17/h3-5,8,13H,6-7H2,1-2H3,(H2,15,16,17)


name: Rosmarinine
cas: 520-65-0
chebiid: CHEBI:8896
chemspiderid: 30791156
formula: C18H27NO6
inchikey: YEXVXKIMPBHRQR-VFQWDWSUSA-N
norman_susdat_id: NS00067898
pubchem_cid: 5281745
inchi:
InChI=1S/C18H27NO6/c1-4-11-7-10(2)18(3,23)17(22)24-9-12-13(20)8-19-6-5-14(15(12)19)25-16(11)21/h4,10,12-15,20,23H,5-9H2,1-3H3/b11-4-/t10-,12+,13-,14-,15-,18-/m1/s1


name: Echimidine
cas: 520-68-3
chebiid: CHEBI:4744
chemspiderid: 4445044
formula: C20H31NO7
inchikey: HRSGCYGUWHGOPY-LYHHMGRNSA-N
norman_susdat_id: NS00067006
pubchem_cid: 5281729
smiles: C/C=C(/C)C(=O)O[C@@H]1CCN2[C@@H]1C(=CC2)COC(=O)[C@@]([C@H](C)O)(C(C)(C)O)O
inchi:
InChI=1S/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13-,15+,16+,20-/m0/s1


name: Medroxyprogesterone
cas: 520-85-4
chebiid: CHEBI:6715
chemspiderid: 10185
dtxsid: DTXSID0036508
formula: C22H32O3
inchikey: FRQMUZJSZHZSGN-HBNHAYAOSA-N
norman_susdat_id: NS00009207
pubchem_cid: 10631
smiles: C[C@H]1C[C@H]2[C@@H]3CC[C@](O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12
inchi:
InChI=1S/C22H32O3/c1-13-11-16-17(20(3)8-5-15(24)12-19(13)20)6-9-21(4)18(16)7-10-22(21,25)14(2)23/h12-13,16-18,25H,5-11H2,1-4H3/t13-,16+,17-,18-,20+,21-,22-/m0/s1


name: 6,7-dichloro-2-(5,7-dichloro-4-methyl-3-oxobenzo[b]thien-2(3H)-ylidene)-1,2-dihydro-3H-indol-3-one
cas: 52000-83-6
formula: C17H7Cl4NO2S
inchikey: WHDFJTSZJFSZJI-UHFFFAOYSA-N
norman_susdat_id: NS00060126
pubchem_cid: NA
smiles: O=C1C2=CC=C(Cl)C(Cl)=C2NC1=C3SC4=C(Cl)C=C(Cl)C(=C4C3=O)C
inchi:
InChI=1/C17H7Cl4NO2S/c1-5-8(19)4-9(20)16-10(5)15(24)17(25-16)13-14(23)6-2-3-7(18)11(21)12(6)22-13/h2-4,22H,1H3


cas: 52002-51-4
formula: C25H46N2O5
norman_susdat_id: NS00101238
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-hydroxy-, ether with 2,6-bis[[bis(2-hydroxyethyl)amino]methyl]-4-nonylphenol (5:1)


name: Isooctadecanoic acid, isohexadecyl ester
cas: 52006-45-8
chemspiderid: 93936
dtxsid: DTXSID1068699
formula: C34H68O2
inchikey: DHGBAFGZLVRESL-UHFFFAOYSA-N
norman_susdat_id: NS00013771
pubchem_cid: 104050
smiles: CC(C)CCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCC(C)C
inchi:
InChI=1S/C34H68O2/c1-32(2)28-24-20-16-12-8-5-6-10-14-18-22-26-30-34(35)36-31-27-23-19-15-11-7-9-13-17-21-25-29-33(3)4/h32-33H,5-31H2,1-4H3


name: 3,8-diamino-6-phenylphenanthridine
cas: 52009-64-0
dtxsid: DTXSID00966339
formula: C19H15N3
inchikey: CPNAVTYCORRLMH-UHFFFAOYSA-N
norman_susdat_id: NS00059233
pubchem_cid: 104052
smiles: N=1C=2C=C(N)C=CC2C=3C=CC(N)=CC3C1C=4C=CC=CC4
inchi:
InChI=1/C19H15N3/c20-13-6-8-15-16-9-7-14(21)11-18(16)22-19(17(15)10-13)12-4-2-1-3-5-12/h1-11H,20-21H2


name: 2,5-dimethoxy-4-(morpholin-4-yl)benzenediazonium tetrafluoroborate
cas: 52018-28-7
formula: C12H16N3O3.BF4
inchikey: SRNKONGUKDFCLV-UHFFFAOYSA-N
norman_susdat_id: NS00090166
smiles: COc1cc(N2CCOCC2)c(OC)cc1[N+]#N.F[B-](F)(F)F
inchi:
InChI=1/C12H16N3O3.BF4/c1-16-11-8-10(15-3-5-18-6-4-15)12(17-2)7-9(11)14-13;2-1(3,4)5/h7-8H,3-6H2,1-2H3;/q+1;-1


name: 3-[pyridin-2-yl(pyridin-2-ylhydrazono)methyl]benzenesulphonic acid
cas: 52018-85-6
formula: C17H14N4O3S
inchikey: RFBIFVJURBNJJY-UHFFFAOYSA-N
norman_susdat_id: NS00059235
pubchem_cid: 72847
smiles: O=S(=O)(O)C=1C=CC=C(C1)C(=NNC2=NC=CC=C2)C3=NC=CC=C3
inchi:
InChI=1/C17H14N4O3S/c22-25(23,24)14-7-5-6-13(12-14)17(15-8-1-3-10-18-15)21-20-16-9-2-4-11-19-16/h1-12H,(H,19,20)(H,22,23,24)


cas: 52019-35-9
norman_susdat_id: NS00113524
name:
Oxirane, 2-methyl-, polymer with oxirane, ether with 2,6-bis[[bis(2-hydroxyethyl)amino]methyl]-4-nonylphenol (5:1)


cas: 52026-59-2
dtxsid: DTXSID40880449
formula: C25H26F19NO6SSi
inchikey: APCMQGJPMGNODQ-UHFFFAOYSA-N
norman_susdat_id: NS00058732
pubchem_cid: 103581
name:
p-[[4,4,5,5,5-pentafluoro-3-(pentafluoroethyl)-1,2,3-tris(trifluoromethyl)pent-1-enyl]oxy]-N-[3-(triethoxysilyl)propyl]benzenesulphonamide

inchi:
InChI=1/C25H26F19NO6SSi/c1-4-48-53(49-5-2,50-6-3)13-7-12-45-52(46,47)15-10-8-14(9-11-15)51-17(20(29,30)31)16(19(26,27)28)18(23(36,37)38,21(32,33)24(39,40)41)22(34,35)25(42,43)44/h8-11,45H,4-7,12-13H2,1-3H3

smiles:
O=S(=O)(NCCC[Si](OCC)(OCC)OCC)C1=CC=C(OC(=C(C(F)(F)F)C(C(F)(F)F)(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F)C(F)(F)F)C=C1


name: 2,2',2''-nitrilotris[N-(2-hydroxyethyl)acetamide]
cas: 52027-23-3
dtxsid: DTXSID10966365
formula: C12H24N4O6
inchikey: BCHUJYSTAWRRKO-UHFFFAOYSA-N
norman_susdat_id: NS00058733
pubchem_cid: 104061
smiles: O=C(NCCO)CN(CC(=O)NCCO)CC(=O)NCCO
inchi:
InChI=1/C12H24N4O6/c17-4-1-13-10(20)7-16(8-11(21)14-2-5-18)9-12(22)15-3-6-19/h17-19H,1-9H2,(H,13,20)(H,14,21)(H,15,22)


name: Dioleyl malate
cas: 52030-95-2
formula: C40H74O5
inchikey: MBPUYGZEDYDAHA-CLFAGFIQSA-N
norman_susdat_id: NS00060127
pubchem_cid: 5385640
smiles: O=C(OCCCCCCCCC=CCCCCCCCC)CC(O)C(=O)OCCCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C40H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-44-39(42)37-38(41)40(43)45-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20,38,41H,3-16,21-37H2,1-2H3


cas: 52032-20-9
formula: C14H12F17NO4S
norman_susdat_id: NS00101741
name:
Poly(oxy-1,2-ethanediyl), .alpha.-[[[(heptadecafluorooctyl)sulfonyl]methylamino]carbonyl]-.omega.-butoxy-


name: Disodium 2-(4-amino-3-sulphonatophenyl)-6-methylbenzothiazole-7-sulphonate
cas: 52044-08-3
formula: C14H12N2O6S3.2Na
inchikey: HBJCVQUBNWAIAA-UHFFFAOYSA-L
norman_susdat_id: NS00089703
smiles: [Na+].[Na+].Cc1ccc2nc(sc2c1S(=O)(=O)[O-])c3ccc(N)c(c3)S(=O)(=O)[O-]
inchi:
InChI=1/C14H12N2O6S3.2Na/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);;/q;2*+1/p-2


name: 2-(4-dodecylphenyl)-1H-indole
cas: 52047-59-3
dtxsid: DTXSID3068702
formula: C26H35N
inchikey: BTFUHFBRQZAJRT-UHFFFAOYSA-N
norman_susdat_id: NS00060128
pubchem_cid: 104064
smiles: C=1C=CC=2NC(=CC2C1)C3=CC=C(C=C3)CCCCCCCCCCCC
inchi:
InChI=1/C26H35N/c1-2-3-4-5-6-7-8-9-10-11-14-22-17-19-23(20-18-22)26-21-24-15-12-13-16-25(24)27-26/h12-13,15-21,27H,2-11,14H2,1H3


name: Bevonium metilsulfate
cas: 5205-82-3
chebiid: CHEBI:31283
dtxsid: DTXSID3046615
formula: C22H28NO3
inchikey: AXKJGGRSAVLXTE-UHFFFAOYSA-M
norman_susdat_id: NS00044060
pubchem_cid: 31799
smiles: O=C(OCC1CCCC[N+]1(C)C)C(O)(C=2C=CC=CC2)C=3C=CC=CC3.O=S(=O)([O-])OC
inchi:
InChI=1/C22H28NO3.CH4O4S/c1-23(2)16-10-9-15-20(23)17-26-21(24)22(25,18-11-5-3-6-12-18)19-13-7-4-8-14-19;1-5-6(2,3)4/h3-8,11-14,20,25H,9-10,15-17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1


name: Dimethyl[3-[(2-methyl-1-oxoallyl)amino]propyl]-3-sulphopropylammonium hydroxide
cas: 5205-95-8
dtxsid: DTXSID70893547
formula: C12H25N2O4S
inchikey: DQHTXJNVTIBYSA-UHFFFAOYSA-N
norman_susdat_id: NS00044709
pubchem_cid: 18615793
smiles: [OH-].O=C(NCCC[N+](C)(C)CCCS(=O)(=O)O)C(=C)C
inchi:
InChI=1/C12H24N2O4S.H2O/c1-11(2)12(15)13-7-5-8-14(3,4)9-6-10-19(16,17)18;/h1,5-10H2,2-4H3,(H-,13,15,16,17,18);1H2


name: 5-(phenylmethoxy)-1H-indole-3-ethylamine monohydrochloride
cas: 52055-23-9
formula: C17H18N2O
inchikey: WKPDXBXNJWWWGQ-UHFFFAOYSA-N
norman_susdat_id: NS00060147
pubchem_cid: 89576
smiles: O(C=1C=CC=2NC=C(C2C1)CCN)CC=3C=CC=CC3
inchi:
InChI=1/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2


name: (tricyclo[3.3.1.13,7]decane-1,3-diyldiethane-2,1-diylbis[trichlorosilane]
cas: 52057-53-1
dtxsid: DTXSID3068704
formula: C14H22Cl6Si2
inchikey: FBAPGRJUUVOMGN-UHFFFAOYSA-N
norman_susdat_id: NS00059199
pubchem_cid: 64365
smiles: Cl[Si](Cl)(Cl)CCC12CC3CC(C1)CC(CC[Si](Cl)(Cl)Cl)(C3)C2
inchi:
InChI=1/C14H22Cl6Si2/c15-21(16,17)3-1-13-6-11-5-12(7-13)9-14(8-11,10-13)2-4-22(18,19)20/h11-12H,1-10H2


name: 5,5'-ureylenedi-o-tolyl diisocyanate
cas: 5206-52-0
dtxsid: DTXSID70966427
formula: C17H14N4O3
inchikey: VZWWZEJXAIOUFX-UHFFFAOYSA-N
norman_susdat_id: NS00044710
pubchem_cid: 78885
smiles: O=C=NC1=CC(=CC=C1C)NC(=O)NC2=CC=C(C(N=C=O)=C2)C
inchi:
InChI=1/C17H14N4O3/c1-11-3-5-13(7-15(11)18-9-22)20-17(24)21-14-6-4-12(2)16(8-14)19-10-23/h3-8H,1-2H3,(H2,20,21,24)


name: Potassium 8-ethyl-5,8-dihydro-5-oxo-2-(piperazinyl)pyrido[2,3-d]pyrimidine-6-carboxylate
cas: 52070-48-1
formula: C14H17N5O3.K
inchikey: HASBJZUCMPOWLQ-UHFFFAOYSA-M
norman_susdat_id: NS00089945
smiles: [K+].CCN1C=C(C(=O)[O-])C(=O)c2cnc(nc12)N3CCNCC3
inchi:
InChI=1/C14H17N5O3.K/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19;/h7-8,15H,2-6H2,1H3,(H,21,22);/q;+1/p-1


name: 8-ethyl-5,8-dihydro-5-oxo-2-(piperazinyl)pyrido[2,3-d]pyrimidine-6-carboxylic acid hydrochloride
cas: 52070-49-2
formula: C14H17N5O3.xClH
inchikey: LNIRRSUFRIHCQJ-UHFFFAOYSA-N
norman_susdat_id: NS00089966
smiles: Cl.CCN1C=C(C(=O)O)C(=O)c2cnc(nc12)N3CCNCC3
inchi:
InChI=1/C14H17N5O3.ClH/c1-2-18-8-10(13(21)22)11(20)9-7-16-14(17-12(9)18)19-5-3-15-4-6-19;/h7-8,15H,2-6H2,1H3,(H,21,22);1H


name: 11-Tricosene
cas: 52078-56-5
dtxsid: DTXSID8074314
formula: C23H46
inchikey: RIERBYNHXFKVQP-UHFFFAOYSA-N
norman_susdat_id: NS00096066
smiles: CCCCCCCCCCCC=CCCCCCCCCCC
inchi:
InChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h21,23H,3-20,22H2,1-2H3


cas: 52078-66-7
dtxsid: DTXSID10885981
formula: C25H29N2O2
inchikey: XFGPBUWHEYUAMX-UHFFFAOYSA-M
norman_susdat_id: NS00060768
pubchem_cid: NA
smiles: [I-].O1C=2C=C(C(=CC2N(C1=CC=CC=3OC=4C=C(C(=CC4[N+]3CC)C)C)CC)C)C
name:
3-ethyl-2-[3-(3-ethyl-5,6-dimethyl-3H-benzoxazol-2-ylidene)prop-1-enyl]-5,6-dimethylbenzoxazolium iodide

inchi:
InChI=1/C25H29N2O2.HI/c1-7-26-20-12-16(3)18(5)14-22(20)28-24(26)10-9-11-25-27(8-2)21-13-17(4)19(6)15-23(21)29-25;/h9-15H,7-8H2,1-6H3;1H/q+1;/p-1


name: (-)-beta-bourbonene
cas: 5208-59-3
chemspiderid: 56330
dtxsid: DTXSID20881212
formula: C15H24
inchikey: YIRAHEODBQONHI-ZQNQSHIBSA-N
norman_susdat_id: NS00022284
pubchem_cid: 62566
smiles: CC(C)[C@@H]1CC[C@@]2([C@H]1[C@@H]3[C@H]2CCC3=C)C
inchi:
InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)13(12)14(11)15/h9,11-14H,3,5-8H2,1-2,4H3/t11-,12+,13?,14+,15-/m0/s1


name: Chloroprednisone
cas: 52080-57-6
chebiid: CHEBI:135618
formula: C21H25ClO5
inchikey: NPSLCOWKFFNQKK-ZPSUVKRCSA-N
norman_susdat_id: NS00060769
pubchem_cid: 3034026
smiles: O=C1C=CC2(C(=C1)C(Cl)CC3C2C(=O)CC4(C)C3CCC4(O)C(=O)CO)C
inchi:
InChI=1/C21H25ClO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7,12-13,15,18,23,27H,4,6,8-10H2,1-2H3


name: 3-aminonaphthalene-1,5-disulphonic acid, sodium salt
cas: 52085-24-2
formula: C10H9NO6S2.xNa
inchikey: UZUODNWWWUQRIR-UHFFFAOYSA-L
norman_susdat_id: NS00090443
smiles: Nc1cc(c2cccc(c2c1)S(=O)(=O)O[Na])S(=O)(=O)O[Na]
inchi:
InChI=1/C10H9NO6S2.2Na/c11-6-4-8-7(10(5-6)19(15,16)17)2-1-3-9(8)18(12,13)14;;/h1-5H,11H2,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2/rC10H7NNa2O6S2/c11-6-4-8-7(10(5-6)21(16,17)19-13)2-1-3-9(8)20(14,15)18-12/h1-5H,11H2


name: Benzenamine, N-(2-chloroethyl)-4-[(2-chloro-4-nitrophenyl)azo]-N-methyl-
cas: 52085-52-6
chemspiderid: 93959
dtxsid: DTXSID3068706
formula: C15H14Cl2N4O2
inchikey: MDNMLKKHFHYRGF-UHFFFAOYSA-N
norman_susdat_id: NS00032420
pubchem_cid: 104073
smiles: CN(CCCl)c1ccc(cc1)N=Nc1c(Cl)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C15H14Cl2N4O2/c1-20(9-8-16)12-4-2-11(3-5-12)18-19-15-7-6-13(21(22)23)10-14(15)17/h2-7,10H,8-9H2,1H3/b19-18+


name: 9ß,11ß-epoxy-21-hydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-acetate
cas: 52092-65-6
dtxsid: DTXSID00966450
formula: C24H30O5
inchikey: JKRMOSPJNPCGSZ-QNAHPZDQSA-N
norman_susdat_id: NS00059673
pubchem_cid: 104076
smiles: O=C1C=CC2(C(=C1)CCC3C4CC(C)C(C(=O)COC(=O)C)C4(C)CC5OC532)C
inchi:
InChI=1/C24H30O5/c1-13-9-18-17-6-5-15-10-16(26)7-8-23(15,4)24(17)20(29-24)11-22(18,3)21(13)19(27)12-28-14(2)25/h7-8,10,13,17-18,20-21H,5-6,9,11-12H2,1-4H3


name: Micronomicin
cas: 52093-21-7
chebiid: CHEBI:81283
chemspiderid: 2301017
formula: C20H41N5O7
inchikey: DNYGXMICFMACRA-XHEDQWPISA-N
norman_susdat_id: NS00011530
pubchem_cid: 3037206
inchi:
InChI=1S/C20H41N5O7/c1-20(28)8-29-19(14(27)17(20)25-3)32-16-12(23)6-11(22)15(13(16)26)31-18-10(21)5-4-9(30-18)7-24-2/h9-19,24-28H,4-8,21-23H2,1-3H3/t9-,10+,11-,12+,13-,14+,15+,16-,17+,18+,19+,20-/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](CC[C@H](O3)CNC)N)N)N)O


name: 7-Dehydrositosterol
cas: 521-04-0
chemspiderid: 4446728
dtxsid: DTXSID50200093
formula: C29H48O1
inchikey: ARVGMISWLZPBCH-XHVHEOSNSA-N
norman_susdat_id: NS00032422
pubchem_cid: 5283634
smiles: CCC(CCC(C)C1CCC2C3=CC=C4CC(O)CCC4(C)C3CCC12C)C(C)C
inchi:
InChI=1S/C29H48O/c1-7-21(19(2)3)9-8-20(4)25-12-13-26-24-11-10-22-18-23(30)14-16-28(22,5)27(24)15-17-29(25,26)6/h10-11,19-21,23,25-27,30H,7-9,12-18H2,1-6H3/t20-,21+,23-,25+,26-,27+,28-,29-/m0/s1


name: Methandriol
cas: 521-10-8
chemspiderid: 199375
dtxsid: DTXSID50878534
formula: C20H32O2
inchikey: WRWBCPJQPDHXTJ-UHFFFAOYSA-N
norman_susdat_id: NS00040628
pubchem_cid: 229021
smiles: CC1(O)CCC2C3CC=C4CC(O)CCC4(C)C3CCC12C
inchi:
InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h4,14-17,21-22H,5-12H2,1-3H3


name: Mestanolone
cas: 521-11-9
chebiid: CHEBI:31825
chemspiderid: 10187
dtxsid: DTXSID0048973
formula: C20H32O2
inchikey: WYZDXEKUWRCKOB-YDSAWKJFSA-N
norman_susdat_id: NS00032423
pubchem_cid: 10633
smiles: C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C
inchi:
InChI=1S/C20H32O2/c1-18-9-6-14(21)12-13(18)4-5-15-16(18)7-10-19(2)17(15)8-11-20(19,3)22/h13,15-17,22H,4-12H2,1-3H3/t13-,15+,16-,17-,18-,19-,20-/m0/s1


name: Dromostanolone proprionate
cas: 521-12-0
chebiid: CHEBI:31523
chemspiderid: 194604
dtxsid: DTXSID1022972
formula: C23H36O3
inchikey: NOTIQUSPUUHHEH-UXOVVSIBSA-N
norman_susdat_id: NS00032424
pubchem_cid: 224004
smiles: CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)[C@H](C)C[C@]4(C)[C@H]3CC[C@]12C
inchi:
InChI=1S/C23H36O3/c1-5-21(25)26-20-9-8-17-16-7-6-15-12-19(24)14(2)13-23(15,4)18(16)10-11-22(17,20)3/h14-18,20H,5-13H2,1-4H3/t14-,15+,16+,17+,18+,20+,22+,23+/m1/s1


name: CHOLESTERYL BUTYRATE
cas: 521-13-1
chemspiderid: 457971
formula: C31H52O2
inchikey: CKDZWMVGDHGMFR-UHFFFAOYSA-N
norman_susdat_id: NS00013456
pubchem_cid: 525278
smiles: CCCC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3CC=C2C1)[C@H](C)CCCC(C)C
inchi:
InChI=1S/C31H52O2/c1-7-9-29(32)33-24-16-18-30(5)23(20-24)12-13-25-27-15-14-26(22(4)11-8-10-21(2)3)31(27,6)19-17-28(25)30/h12,21-22,24-28H,7-11,13-20H2,1-6H3/t22-,24+,25+,26-,27+,28+,30+,31-/m1/s1


name: 17ß-hydroxyandrost-4-en-3-one hydrogen succinate
cas: 521-15-3
dtxsid: DTXSID20966457
formula: C23H32O5
inchikey: CJQNBXFUHQZFOE-VYAQIDIUSA-N
norman_susdat_id: NS00042785
pubchem_cid: 119202
smiles: O=C(O)CCC(=O)OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
inchi:
InChI=1/C23H32O5/c1-22-11-9-15(24)13-14(22)3-4-16-17-5-6-19(23(17,2)12-10-18(16)22)28-21(27)8-7-20(25)26/h13,16-19H,3-12H2,1-2H3,(H,25,26)


name: Androstenediol
cas: 521-17-5
chebiid: CHEBI:2710
chemspiderid: 10188
dtxsid: DTXSID9022609
formula: C19H30O2
inchikey: QADHLRWLCPCEKT-LOVVWNRFSA-N
norman_susdat_id: NS00000086
pubchem_cid: 10634
smiles: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CC=C4[C@@]3(CC[C@@H](C4)O)C
inchi:
InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h3,13-17,20-21H,4-11H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1


name: 5alpha-Dihydrotestosterone
cas: 521-18-6
chebiid: CHEBI:16330
chemspiderid: 10189
dtxsid: DTXSID9022364
formula: C19H30O2
inchikey: NVKAWKQGWWIWPM-ABEVXSGRSA-N
norman_susdat_id: NS00005234
pubchem_cid: 10635
smiles: C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O
inchi:
InChI=1S/C19H30O2/c1-18-9-7-13(20)11-12(18)3-4-14-15-5-6-17(21)19(15,2)10-8-16(14)18/h12,14-17,21H,3-11H2,1-2H3/t12-,14-,15-,16-,17-,18-,19-/m0/s1


name: Sciadopitysin
cas: 521-34-6
chebiid: CHEBI:9050
chemspiderid: 4445013
dtxsid: DTXSID30200096
formula: C33H24O10
inchikey: YCXRBCHEOFVYEN-UHFFFAOYSA-N
norman_susdat_id: NS00032432
pubchem_cid: 5281696
smiles: COc1ccc(cc1)c1cc(=O)c2c(o1)c(c(O)cc2O)c1c(OC)ccc(c1)c1cc(=O)c2c(o1)cc(OC)cc2O
inchi:
InChI=1S/C33H24O10/c1-39-18-7-4-16(5-8-18)27-15-25(38)32-23(36)13-22(35)30(33(32)43-27)20-10-17(6-9-26(20)41-3)28-14-24(37)31-21(34)11-19(40-2)12-29(31)42-28/h4-15,34-36H,1-3H3


name: Cannabinol
cas: 521-35-7
chebiid: CHEBI:3360
chemspiderid: 2447
dtxsid: DTXSID3048996
formula: C21H26O2
inchikey: VBGLYOIFKLUMQG-UHFFFAOYSA-N
norman_susdat_id: NS00001991
pubchem_cid: 2543
smiles: CCCCCc1cc(O)c-2c(OC(C)(C)c3ccc(C)cc-23)c1
inchi:
InChI=1S/C21H26O2/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/h9-13,22H,5-8H2,1-4H3


cas: 521-39-1
formula: C18H12O10
inchikey: QQTKVXCQLZIJPP-UHFFFAOYSA-N
norman_susdat_id: NS00042338
pubchem_cid: 5320418
smiles: O=CC1=C(O)C=C(C=2C(=O)OC3=C(OC12)C4=C(C(=O)OC4O)C(O)=C3CO)C
name:
1,3-dihydro-1,4,10-trihydroxy-5-(hydroxymethyl)-8-methyl-3,7-dioxo-7H-isobenzofuro[4,5-b][1,4]benzodioxepin-11-carbaldehyde

inchi:
InChI=1/C18H12O10/c1-5-2-8(21)6(3-19)13-9(5)16(23)27-14-7(4-20)12(22)10-11(15(14)26-13)18(25)28-17(10)24/h2-3,18,20-22,25H,4H2,1H3


name: Narcotoline
cas: 521-40-4
chebiid: CHEBI:7482
chemspiderid: 390785
dtxsid: DTXSID50200098
formula: C21H21N1O7
inchikey: LMGZCSKYOKDBES-AEFFLSMTSA-N
norman_susdat_id: NS00032434
pubchem_cid: 442330
smiles: COc1ccc2[C@H](OC(=O)c2c1OC)[C@@H]1N(C)CCc2c1c(O)c1OCOc1c2
inchi:
InChI=1S/C21H21NO7/c1-22-7-6-10-8-13-20(28-9-27-13)17(23)14(10)16(22)18-11-4-5-12(25-2)19(26-3)15(11)21(24)29-18/h4-5,8,16,18,23H,6-7,9H2,1-3H3/t16-,18+/m1/s1


name: Methyl 2-(3,5-dioxo-4-phenyl-2-furylidene)-2-phenylacetate
cas: 521-52-8
formula: C19H14O5
inchikey: VPGRYOFKCNULNK-UHFFFAOYSA-N
norman_susdat_id: NS00079744
smiles: CC(=O)OCC(=O)C1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C
inchi:
InChI=1/C23H32O4/c1-14(24)27-13-21(26)20-7-6-18-17-5-4-15-12-16(25)8-10-22(15,2)19(17)9-11-23(18,20)3/h12,17-20H,4-11,13H2,1-3H3


name: 3-[(6-deoxy-a-L-mannopyranosyl)oxy]-1,8-dihydroxy-6-methylanthraquinone
cas: 521-62-0
chebiid: CHEBI:5167
dtxsid: DTXSID40966459
formula: C21H20O9
inchikey: DTTVUKLWJFJOHO-FUCRAMRQSA-N
norman_susdat_id: NS00042806
pubchem_cid: 196979
smiles: O=C1C2=CC(OC3OC(C)C(O)C(O)C3O)=CC(O)=C2C(=O)C4=C(O)C=C(C=C14)C
inchi:
InChI=1/C21H20O9/c1-7-3-10-14(12(22)4-7)18(26)15-11(17(10)25)5-9(6-13(15)23)30-21-20(28)19(27)16(24)8(2)29-21/h3-6,8,16,19-24,27-28H,1-2H3


name: Cinnamoylcocaine
cas: 521-67-5
dtxsid: DTXSID60893899
formula: C19H23NO4
inchikey: MQIXMJWNEKUAOZ-UYCDZTDFSA-N
norman_susdat_id: NS00093643
smiles: [H][C@]12CC[C@]([H])([C@H]([C@H](C1)OC(=O)C=CC1=CC=CC=C1)C(=O)OC)N2C
inchi:
InChI=1/C19H23NO4/c1-20-14-9-10-15(20)18(19(22)23-2)16(12-14)24-17(21)11-8-13-6-4-3-5-7-13/h3-8,11,14-16,18H,9-10,12H2,1-2H3/b11-8+/t14-,15+,16-,18+/s2


name: Trimipramine hydrogen maleate
cas: 521-78-8
chebiid: CHEBI:35030
formula: C20H26N2.C4H4O4
inchikey: YDGHCKHAXOUQOS-BTJKTKAUSA-N
norman_susdat_id: NS00080012
smiles: CC(CN(C)C)CN1c2ccccc2CCc3ccccc13.OC(=O)\C=C/C(=O)O
inchi:
InChI=1/C20H26N2.C4H4O4/c1-16(14-21(2)3)15-22-19-10-6-4-8-17(19)12-13-18-9-5-7-11-20(18)22;5-3(6)1-2-4(7)8/h4-11,16H,12-15H2,1-3H3;1-2H,(H,5,6)(H,7,8)


name: Corycavamine
cas: 521-85-7
chemspiderid: 16735751
dtxsid: DTXSID60200105
formula: C21H21NO5
inchikey: WOLWLEQYUFDNTA-GFCCVEGCSA-N
norman_susdat_id: NS00094754
pubchem_cid: 12304036
smiles: C[C@@H]1C2=C(CN(C)CCC3=CC4=C(OCO4)C=C3C1=O)C1=C(OCO1)C=C2
inchi:
InChI=1S/C21H21NO5/c1-12-14-3-4-17-21(27-11-24-17)16(14)9-22(2)6-5-13-7-18-19(26-10-25-18)8-15(13)20(12)23/h3-4,7-8,12H,5-6,9-11H2,1-2H3/t12-/m1/s1


name: 1,1,3,5,5-Pentamethyl-1,5-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)trisiloxane
cas: 521069-00-1
dtxsid: DTXSID90895689
formula: C21H24F26O2Si3
inchikey: VSLHCOZVHMYAKT-UHFFFAOYSA-N
norman_susdat_id: NS00112114
inchi:
InChI=1S/C21H24F26O2Si3/c1-50(48-51(2,3)8-6-10(22,23)12(26,27)14(30,31)16(34,35)18(38,39)20(42,43)44)49-52(4,5)9-7-11(24,25)13(28,29)15(32,33)17(36,37)19(40,41)21(45,46)47/h50H,6-9H2,1-5H3

smiles:
C[SiH](O[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: 3-Chloro-1,1,3,5,5-pentamethyl-1,5-bis(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)trisiloxane
cas: 521069-01-2
dtxsid: DTXSID00672862
formula: C21H23ClF26O2Si3
inchikey: OYYHZXTWPXQWOH-UHFFFAOYSA-N
norman_susdat_id: NS00108834
inchi:
InChI=1S/C21H23ClF26O2Si3/c1-51(2,8-6-10(23,24)12(27,28)14(31,32)16(35,36)18(39,40)20(43,44)45)49-53(5,22)50-52(3,4)9-7-11(25,26)13(29,30)15(33,34)17(37,38)19(41,42)21(46,47)48/h6-9H2,1-5H3

smiles:
C[Si](C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)O[Si](C)(Cl)O[Si](C)(C)CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: N-[[5-(dimethylamino)-1-naphthyl]sulphonyl]-L-tyrosine
cas: 52107-47-8
dtxsid: DTXSID30966468
formula: C21H22N2O5S
inchikey: JPGUWJLXQOQWNI-SFHVURJKSA-N
norman_susdat_id: NS00059674
pubchem_cid: 11796060
smiles: O=C(O)C(NS(=O)(=O)C1=CC=CC=2C1=CC=CC2N(C)C)CC3=CC=C(O)C=C3
inchi:
InChI=1/C21H22N2O5S/c1-23(2)19-7-3-6-17-16(19)5-4-8-20(17)29(27,28)22-18(21(25)26)13-14-9-11-15(24)12-10-14/h3-12,18,22,24H,13H2,1-2H3,(H,25,26)


name: (3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)(tripropoxy)silane
cas: 521084-64-0
dtxsid: DTXSID00631136
formula: C19H25F17O3Si
inchikey: GUXGHBVABOZQRZ-UHFFFAOYSA-N
norman_susdat_id: NS00108828
smiles: CCCO[Si](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(OCCC)OCCC
inchi:
InChI=1S/C19H25F17O3Si/c1-4-8-37-40(38-9-5-2,39-10-6-3)11-7-12(20,21)13(22,23)14(24,25)15(26,27)16(28,29)17(30,31)18(32,33)19(34,35)36/h4-11H2,1-3H3


name: Mucidin
cas: 52110-55-1
chebiid: CHEBI:78156
chemspiderid: 4941943
formula: C16H18O3
inchikey: JSCQSBGXKRTPHZ-SYKZHUKTSA-N
norman_susdat_id: NS00011765
pubchem_cid: 6437379
smiles: C/C(=C/C=C/c1ccccc1)/C(=COC)/C(=O)OC
inchi:
InChI=1S/C16H18O3/c1-13(15(12-18-2)16(17)19-3)8-7-11-14-9-5-4-6-10-14/h4-12H,1-3H3/b11-7+,13-8-,15-12+


name: Silane, (heptadecafluorooctyl)trimethyl-
cas: 52112-19-3
dtxsid: DTXSID70399897
formula: C11H9F17Si
inchikey: CSSFUEGQVWQFKG-UHFFFAOYSA-N
norman_susdat_id: NS00111234
smiles: C[Si](C)(C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11H9F17Si/c1-29(2,3)11(27,28)9(22,23)7(18,19)5(14,15)4(12,13)6(16,17)8(20,21)10(24,25)26/h1-3H3


name: Iron phthalate (2:3)
cas: 52118-12-4
formula: C8H6O4.2/3Fe
inchi: InChI=1/3C8H6O4.2Fe/c3*9-7(10)5-3-1-2-4-6(5)8(11)12;;/h3*1-4H,(H,9,10)(H,11,12);;/q;;;2*+3/p-6
inchikey: TZUOAFAFVLCVOL-UHFFFAOYSA-H
norman_susdat_id: NS00089975
smiles:
[Fe+3].[Fe+3].O=C([O-])C=1/C=C\C=C/C=1C([O-])=O.[O-]C(=O)c1ccccc1C([O-])=O.[O-]C(=O)c1ccccc1C([O-])=O


name: 1-(2-hydroxy-5-nonylphenyl)-2-phenylethan-1-one oxime
cas: 52122-75-5
formula: C23H31NO2
inchikey: YCBRZJYZKWMUBG-UHFFFAOYSA-N
norman_susdat_id: NS00059231
pubchem_cid: 103595
smiles: ON=C(C1=CC(=CC=C1O)CCCCCCCCC)CC=2C=CC=CC2
inchi:
InChI=1/C23H31NO2/c1-2-3-4-5-6-7-9-14-20-15-16-23(25)21(17-20)22(24-26)18-19-12-10-8-11-13-19/h8,10-13,15-17,25-26H,2-7,9,14,18H2,1H3


cas: 52125-43-6
chemspiderid: 71087
dtxsid: DTXSID8068707
formula: C25H20N2O4S1
inchikey: GLDWEKXOUDLIKN-UHFFFAOYSA-N
norman_susdat_id: NS00022285
pubchem_cid: 104082
smiles: CC(C)c1ccc(cc1)c1ccc(OS(=O)(=O)C2=CC(=[N+]=[N-])C(=O)c3ccccc23)cc1
name:
1-Naphthalenesulfonic acid, 3-diazo-3,4-dihydro-4-oxo-, ar'-(1-methylethyl)[1,1'-biphenyl]-4-yl ester

inchi:
InChI=1S/C25H20N2O4S/c1-16(2)17-7-9-18(10-8-17)19-11-13-20(14-12-19)31-32(29,30)24-15-23(27-26)25(28)22-6-4-3-5-21(22)24/h3-16H,1-2H3


name: Sodium hydrogen 4,5-dihydro-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate
cas: 52126-51-9
formula: C10H8N2O6S.Na
inchikey: KFVXGVBBXSOYNO-UHFFFAOYSA-L
norman_susdat_id: NS00089991
smiles: [Na+].[O-]C(=O)C1=NN(C(=O)C1)c2ccc(cc2)S(=O)(=O)[O-]
inchi:
InChI=1/C10H8N2O6S.Na/c13-9-5-8(10(14)15)11-12(9)6-1-3-7(4-2-6)19(16,17)18;/h1-4H,5H2,(H,14,15)(H,16,17,18);/q;+1/p-2


name: Trimetrexate
cas: 52128-35-5
dtxsid: DTXSID3023714
formula: C19H23N5O3
inchikey: NOYPYLRCIDNJJB-UHFFFAOYSA-N
norman_susdat_id: NS00068348
pubchem_cid: 5583
smiles: COc1cc(NCc2ccc3nc(N)nc(N)c3c2C)cc(OC)c1OC
inchi:
InChI=1S/C19H23N5O3/c1-10-11(5-6-13-16(10)18(20)24-19(21)23-13)9-22-12-7-14(25-2)17(27-4)15(8-12)26-3/h5-8,22H,9H2,1-4H3,(H4,20,21,23,24)


cas: 52128-53-7
formula: C17H18N2O7S2
inchikey: QLTVFUALEDMAKL-UHFFFAOYSA-N
norman_susdat_id: NS00090466
smiles: COC1(NC(=O)Cc2cccs2)C3SCC(=C(N3C1=O)C(=O)O)COC(=O)C
name:
cis-(±)-3-(acetoxymethyl)-7-methoxy-8-oxo-7-(2-thienylacetamido)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

inchi:
InChI=1/C17H18N2O7S2/c1-9(20)26-7-10-8-28-16-17(25-2,15(24)19(16)13(10)14(22)23)18-12(21)6-11-4-3-5-27-11/h3-5,16H,6-8H2,1-2H3,(H,18,21)(H,22,23)


name: (1R)-2-{[2-(4-aminophenyl)ethyl]amino}-1-phenylethanol, hydrochloride
cas: 521284-22-0
chemspiderid: 28475093
formula: C16H20N2O1
inchikey: QILVTBCJVNFIDP-NTISSMGPSA-N
norman_susdat_id: NS00022286
pubchem_cid: 52953007
smiles: c1ccc(cc1)[C@H](CNCCc2ccc(cc2)N)O.Cl
inchi:
InChI=1S/C16H20N2O/c17-15-8-6-13(7-9-15)10-11-18-12-16(19)14-4-2-1-3-5-14/h1-9,16,18-19H,10-12,17H2/t16-/m0/s1


name: 2-(2,4-dichlorophenoxy)-1-(1H-imidazol-1-yl)-4,4-dimethylpentan-3-one monohydrochloride
cas: 52130-69-5
dtxsid: DTXSID10966486
formula: C16H18Cl2N2O2
inchikey: YIGSEEWDFZGHAV-UHFFFAOYSA-N
norman_susdat_id: NS00060825
pubchem_cid: 3016730
smiles: Cl.O=C(C(OC1=CC=C(Cl)C=C1Cl)CN2C=NC=C2)C(C)(C)C
inchi:
InChI=1/C16H18Cl2N2O2.ClH/c1-16(2,3)15(21)14(9-20-7-6-19-10-20)22-13-5-4-11(17)8-12(13)18;/h4-8,10,14H,9H2,1-3H3;1H


name: 2-bromo-N-[2-(2-fluorobenzoyl)-4-nitrophenyl]acetamide
cas: 52130-86-6
dtxsid: DTXSID90200138
formula: C15H11BrFN2O4
inchikey: DGIHQJAKOHGCOQ-UHFFFAOYSA-N
norman_susdat_id: NS00059232
pubchem_cid: 104088
smiles: O=C(C=1C=CC=CC1F)C2=CC(=CC=C2NC(=O)CBr)[N+](=O)[O-]
inchi:
InChI=1/C15H10BrFN2O4/c16-8-14(20)18-13-6-5-9(19(22)23)7-11(13)15(21)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,18,20)


name: 2-Bromo-N-(2-(2-chlorobenzoyl)-4-nitrophenyl)acetamide
cas: 52130-87-7
chemspiderid: 93975
dtxsid: DTXSID50200139
formula: C15H10Br1Cl1N2O4
inchikey: XSTMFEOLMKEEMU-UHFFFAOYSA-N
norman_susdat_id: NS00032428
pubchem_cid: 104089
smiles: [O-][N+](=O)c1ccc(NC(=O)CBr)c(c1)C(=O)c1c(Cl)cccc1
inchi:
InChI=1S/C15H10BrClN2O4/c16-8-14(20)18-13-6-5-9(19(22)23)7-11(13)15(21)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,18,20)


name: Sodium 2,9-dimethyl-4,7-diphenyl-1,10-phenanthrolinesulphonate
cas: 52132-81-7
formula: C26H22N2O3S
inchikey: FPVZQCHZAIGOPA-UHFFFAOYSA-M
norman_susdat_id: NS00059791
pubchem_cid: 21155962
smiles: [Na+].O=S(=O)([O-])C1(C=C(C=2C=CC=CC2)C=3C=CC4=C(N=C(C=C4C=5C=CC=CC5)C)C3N1)C
inchi:
InChI=1/C26H22N2O3S.Na/c1-17-15-22(18-9-5-3-6-10-18)20-13-14-21-23(19-11-7-4-8-12-19)16-26(2,32(29,30)31)28-25(21)24(20)27-17;/h3-16,28H,1-2H3,(H,29,30,31);/q;+1/p-1


name: 2-((4-Amino-2-methoxyphenyl)amino)-5-((2-hydroxyethyl)amino)-2,5-cyclohexa-2,5-diene-1,4-dione
cas: 52136-23-9
chemspiderid: 93979
dtxsid: DTXSID00200144
formula: C15H17N3O4
inchikey: IWPXDARCGZFFAD-UHFFFAOYSA-N
norman_susdat_id: NS00032433
pubchem_cid: 104093
smiles: COc1c(NC2=CC(=O)C(=CC2=O)NCCO)ccc(N)c1
inchi:
InChI=1S/C15H17N3O4/c1-22-15-6-9(16)2-3-10(15)18-12-8-13(20)11(7-14(12)21)17-4-5-19/h2-3,6-8,17-19H,4-5,16H2,1H3


cas: 52136-25-1
chemspiderid: 93980
dtxsid: DTXSID60200145
formula: C18H23N3O5
inchikey: BZYZOJIGZUACMS-UHFFFAOYSA-N
norman_susdat_id: NS00013727
pubchem_cid: 104094
smiles: OCCNC1=CC(=O)C(=CC1=O)Nc2ccc(cc2)N(CCO)CCO
name:
2-((4-(Bis(2-hydroxyethyl)amino)phenyl)amino)-5-((2-hydroxyethyl)- amino)-2,5-cyclohexadiene-1,4-dione

inchi:
InChI=1S/C18H23N3O5/c22-8-5-19-15-11-18(26)16(12-17(15)25)20-13-1-3-14(4-2-13)21(6-9-23)7-10-24/h1-4,11-12,19-20,22-24H,5-10H2


name: 9,12-Octadecadienoic acid (9Z,12Z)-, 2-mercaptoethyl ester
cas: 52147-29-2
chemspiderid: 4941623
dtxsid: DTXSID2029373
formula: C20H36O2S1
inchikey: OVTHRUQOYWQEJA-HZJYTTRNSA-N
norman_susdat_id: NS00032435
pubchem_cid: 6437031
smiles: CCCCC/C=CC/C=CCCCCCCCC(=O)OCCS
inchi:
InChI=1S/C20H36O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(21)22-18-19-23/h6-7,9-10,23H,2-5,8,11-19H2,1H3/b7-6-,10-9-


name: cefsulodin
cas: 52152-93-9
chemspiderid: 26400720
formula: C22H21N4O8S2
inchikey: SYLKGLMBLAAGSC-QLVMHMETSA-M
norman_susdat_id: NS00003903
pubchem_cid: 24776146
smiles: NC(=O)c1cc[n+](CC2=C(N3[C@H](SC2)[C@H](NC(=O)[C@@H](c2ccccc2)S([O-])(=O)=O)C3=O)C([O-])=O)cc1
inchi:
InChI=1S/C22H20N4O8S2/c23-18(27)13-6-8-25(9-7-13)10-14-11-35-21-15(20(29)26(21)16(14)22(30)31)24-19(28)17(36(32,33)34)12-4-2-1-3-5-12/h1-9,15,17,21H,10-11H2,(H4-,23,24,27,28,30,31,32,33,34)/p-1/t15-,17-,21-/m1/s1


name: Tris(dodecylthio)methylstannane
cas: 52165-03-4
formula: C37H75S3Sn
inchikey: BZRHKUCZUVXPBV-UHFFFAOYSA-N
norman_susdat_id: NS00059794
pubchem_cid: NA
smiles: [Sn]C(SCCCCCCCCCCCC)(SCCCCCCCCCCCC)SCCCCCCCCCCCC
inchi:
InChI=1/C37H75S3.Sn/c1-4-7-10-13-16-19-22-25-28-31-34-38-37(39-35-32-29-26-23-20-17-14-11-8-5-2)40-36-33-30-27-24-21-18-15-12-9-6-3;/h4-36H2,1-3H3;/q;+3/rC37H75S3Sn/c1-4-7-10-13-16-19-22-25-28-31-34-38-37(41,39-35-32-29-26-23-20-17-14-11-8-5-2)40-36-33-30-27-24-21-18-15-12-9-6-3/h4-36H2,1-3H3/q+3


name: Trimethyl-3-[[(tridecafluorohexyl)sulphonyl]amino]propylammonium chloride
cas: 52166-82-2
formula: C12H16F13N2O2S.Cl
inchikey: RMPHRYCBGYJIDS-UHFFFAOYSA-M
norman_susdat_id: NS00089999
smiles: [Cl-].C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C12H16F13N2O2S.ClH/c1-27(2,3)6-4-5-26-30(28,29)12(24,25)10(19,20)8(15,16)7(13,14)9(17,18)11(21,22)23;/h26H,4-6H2,1-3H3;1H/q+1;/p-1


name: 2-[4-(acetylphenylamino)buta-1,3-dienyl]-3-ethylbenzoxazolium iodide
cas: 5217-54-9
dtxsid: DTXSID30884138
formula: C21H21N2O2
inchikey: RKHTYMDCAAQJBN-UHFFFAOYSA-M
norman_susdat_id: NS00044711
pubchem_cid: NA
smiles: [I-].O=C(N(C=CC=CC=1OC=2C=CC=CC2[N+]1CC)C=3C=CC=CC3)C
inchi:
InChI=1/C21H21N2O2.HI/c1-3-22-19-13-7-8-14-20(19)25-21(22)15-9-10-16-23(17(2)24)18-11-5-4-6-12-18;/h4-16H,3H2,1-2H3;1H/q+1;/p-1


name: 2-[4,7-dimethoxy-5-(4-methoxycinnamoyl)benzofuran-6-yloxy]ethyldimethylammonium hydrogen oxalate
cas: 52171-36-5
formula: C24H27NO6.C2H2O4
inchikey: QEBWTEHKJYHECW-YGCVIUNWSA-M
norman_susdat_id: NS00089960
smiles: COc1ccc(\C=C\C(=O)c2c(OC)c3ccoc3c(OC)c2OCC[NH+](C)C)cc1.[O-]C(=O)C(=O)[O-]
inchi:
InChI=1/C24H27NO6.C2H2O4/c1-25(2)13-15-31-23-20(19(26)11-8-16-6-9-17(27-3)10-7-16)21(28-4)18-12-14-30-22(18)24(23)29-5;3-1(4)2(5)6/h6-12,14H,13,15H2,1-5H3;(H,3,4)(H,5,6)/p-1


name: 6-Amino-2,3-dihydro-1,3-dioxo-1H-benz(de)isoquinoline-5-sulphonic acid
cas: 52173-68-9
chemspiderid: 93989
dtxsid: DTXSID10200195
formula: C12H8N2O5S1
inchikey: CTKMZCFTOKMBBS-UHFFFAOYSA-N
norman_susdat_id: NS00032438
pubchem_cid: 104104
smiles: Nc1c(cc2c(=O)[nH]c(=O)c3c2c1ccc3)S(=O)(=O)O
inchi:
InChI=1S/C12H8N2O5S/c13-10-5-2-1-3-6-9(5)7(12(16)14-11(6)15)4-8(10)20(17,18)19/h1-4H,13H2,(H,14,15,16)(H,17,18,19)


name: 1-benzyl-4-methylquinolinium chloride
cas: 52181-07-4
dtxsid: DTXSID50885985
formula: C17H16N
inchikey: CHVNPOOMQVUQHU-UHFFFAOYSA-M
norman_susdat_id: NS00060826
pubchem_cid: 104108
smiles: [Cl-].C=1C=CC(=CC1)C[N+]=2C=CC(=C3C=CC=CC32)C
inchi:
InChI=1/C17H16N.ClH/c1-14-11-12-18(13-15-7-3-2-4-8-15)17-10-6-5-9-16(14)17;/h2-12H,13H2,1H3;1H/q+1;/p-1


name: 2,4-bis(tert-butyl)-6-[(2-nitrophenyl)azo]phenol
cas: 52184-14-2
dtxsid: DTXSID70894817
formula: C20H26N3O3
inchikey: BBUYLEHVHUQHME-UHFFFAOYSA-N
norman_susdat_id: NS00060827
pubchem_cid: 104110
smiles: O=[N+]([O-])C=1C=CC=CC1N=NC=2C=C(C=C(C2O)C(C)(C)C)C(C)(C)C
inchi:
InChI=1/C20H25N3O3/c1-19(2,3)13-11-14(20(4,5)6)18(24)16(12-13)22-21-15-9-7-8-10-17(15)23(25)26/h7-12,24H,1-6H3


name: Phenol, 2,4-bis(1,1-dimethylpropyl)-6-[(2-nitrophenyl)azo]-
cas: 52184-19-7
chemspiderid: 14030158
dtxsid: DTXSID1028025
formula: C22H29N3O3
inchikey: HHUOYYNHGMRSIF-WCWDXBQESA-N
norman_susdat_id: NS00032444
pubchem_cid: NA
smiles: CCC(C)(C)C1=C/C(=NNc2ccccc2[N+](=O)[O-])/C(=O)C(=C1)C(C)(C)CC
inchi:
InChI=1S/C22H29N3O3/c1-7-21(3,4)15-13-16(22(5,6)8-2)20(26)18(14-15)24-23-17-11-9-10-12-19(17)25(27)28/h9-14,23H,7-8H2,1-6H3/b24-18+


name: Phenol, 2-[(4-chloro-2-nitrophenyl)azo]-4,6-bis(1,1-dimethylethyl)-
cas: 52184-29-9
chemspiderid: 7850675
dtxsid: DTXSID7068712
formula: C20H24Cl1N3O3
inchikey: IIHNCIPIAMRRIQ-UHFFFAOYSA-N
norman_susdat_id: NS00032445
pubchem_cid: NA
smiles: CC(C)(C)C1=C/C(=NNc2c(cc(Cl)cc2)[N+](=O)[O-])/C(=O)C(=C1)C(C)(C)C
inchi:
InChI=1S/C20H24ClN3O3/c1-19(2,3)12-9-14(20(4,5)6)18(25)16(10-12)23-22-15-8-7-13(21)11-17(15)24(26)27/h7-11,22H,1-6H3/b23-16+


cas: 52187-21-0
dtxsid: DTXSID90966565
formula: C20H31NO4
inchikey: FCJKHKZRHROKDA-UHFFFAOYSA-N
norman_susdat_id: NS00059778
pubchem_cid: 103604
smiles: OC(COC1=CC=CC2=C1CC3OC(OC3C2)(C)C)CNC(C)(C)C
name:
1-(tert-butylamino)-3-[(3a,4,9,9a-tetrahydro-2,2-dimethylnaphtho[2,3-d]-1,3-dioxol-5-yl)oxy]propan-2-ol

inchi:
InChI=1/C20H31NO4/c1-19(2,3)21-11-14(22)12-23-16-8-6-7-13-9-17-18(10-15(13)16)25-20(4,5)24-17/h6-8,14,17-18,21-22H,9-12H2,1-5H3


cas: 52187-80-1
chebiid: CHEBI:167535
formula: C27H30O16
inchikey: BISZYPSIZGKOFA-IPOZFMEPSA-N
norman_susdat_id: NS00089723
name:
7-(ß-D-glucopyranosyloxy)-2-[3-(ß-D-glucopyranosyloxy)-4-hydroxyphenyl]-5-hydroxy-4H-1-benzopyran-4-one

inchi:
InChI=1/C27H30O16/c28-7-17-20(33)22(35)24(37)26(42-17)39-10-4-12(31)19-13(32)6-14(40-16(19)5-10)9-1-2-11(30)15(3-9)41-27-25(38)23(36)21(34)18(8-29)43-27/h1-6,17-18,20-31,33-38H,7-8H2

smiles:
OC[C@H]1O[C@@H](Oc2cc(O)c3C(=O)C=C(Oc3c2)c4ccc(O)c(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)c4)[C@H](O)[C@@H](O)[C@@H]1O


name: 2,4,5-Triethoxybenzophenone
cas: 52199-46-9
chemspiderid: 93997
dtxsid: DTXSID20200227
formula: C19H22O4
inchikey: ATJSQHQJQSASKB-UHFFFAOYSA-N
norman_susdat_id: NS00032450
pubchem_cid: 104115
smiles: CCOc1cc(OCC)c(OCC)cc1C(=O)c1ccccc1
inchi:
InChI=1S/C19H22O4/c1-4-21-16-13-18(23-6-3)17(22-5-2)12-15(16)19(20)14-10-8-7-9-11-14/h7-13H,4-6H2,1-3H3


name: Ethopropazine
cas: 522-00-9
chebiid: CHEBI:313639
chemspiderid: 3174
dtxsid: DTXSID2023018
formula: C19H24N2S1
inchikey: CDOZDBSBBXSXLB-UHFFFAOYSA-N
norman_susdat_id: NS00006829
pubchem_cid: 3290
smiles: CCN(CC)C(C)CN1c2ccccc2Sc2ccccc12
inchi:
InChI=1S/C19H24N2S/c1-4-20(5-2)15(3)14-21-16-10-6-8-12-18(16)22-19-13-9-7-11-17(19)21/h6-13,15H,4-5,14H2,1-3H3


name: Quercitrin
cas: 522-12-3
chebiid: CHEBI:17558
chemspiderid: 4444112
dtxsid: DTXSID50200230
formula: C21H20O11
inchikey: OXGUCUVFOIWWQJ-HQBVPOQASA-N
norman_susdat_id: NS00006156
pubchem_cid: 5280459
smiles: C[C@@H]1O[C@@H](Oc2c(oc3cc(O)cc(O)c3c2=O)-c2ccc(O)c(O)c2)[C@H](O)[C@H](O)[C@H]1O
inchi:
InChI=1S/C21H20O11/c1-7-15(26)17(28)18(29)21(30-7)32-20-16(27)14-12(25)5-9(22)6-13(14)31-19(20)8-2-3-10(23)11(24)4-8/h2-7,15,17-18,21-26,28-29H,1H3/t7-,15-,17+,18+,21-/m0/s1


name: Deguelin
cas: 522-17-8
chebiid: CHEBI:4357
chemspiderid: 97058
dtxsid: DTXSID10200231
formula: C23H22O6
inchikey: ORDAZKGHSNRHTD-UXHICEINSA-N
norman_susdat_id: NS00018010
pubchem_cid: 107935
smiles: CC1(C=CC2=C(O1)C=CC3=C2OC4COC5=CC(=C(C=C5C4C3=O)OC)OC)C
inchi:
InChI=1S/C23H22O6/c1-23(2)8-7-12-15(29-23)6-5-13-21(24)20-14-9-17(25-3)18(26-4)10-16(14)27-11-19(20)28-22(12)13/h5-10,19-20H,11H2,1-4H3/t19-,20+/m1/s1


name: Chlorbenzoxamine
cas: 522-18-9
chebiid: CHEBI:135708
chemspiderid: 64700
formula: C27H31Cl1N2O1
inchikey: VEVSKUJZSMGTMM-UHFFFAOYSA-N
norman_susdat_id: NS00004057
pubchem_cid: 71636
smiles: Cc1ccccc1CN1CCN(CCOC(c2ccccc2)c2ccccc2Cl)CC1
inchi:
InChI=1S/C27H31ClN2O/c1-22-9-5-6-12-24(22)21-30-17-15-29(16-18-30)19-20-31-27(23-10-3-2-4-11-23)25-13-7-8-14-26(25)28/h2-14,27H,15-21H2,1H3


name: Diethylstilbestrol diphosphate
cas: 522-40-7
chebiid: CHEBI:4532
chemspiderid: 2297327
dtxsid: DTXSID3046906
formula: C18H22O8P2
inchikey: NLORYLAYLIXTID-ISLYRVAYSA-N
norman_susdat_id: NS00001671
pubchem_cid: 3032325
smiles: CCC(=C(CC)c1ccc(OP(O)(O)=O)cc1)c1ccc(OP(O)(O)=O)cc1
inchi:
InChI=1S/C18H22O8P2/c1-3-17(13-5-9-15(10-6-13)25-27(19,20)21)18(4-2)14-7-11-16(12-8-14)26-28(22,23)24/h5-12H,3-4H2,1-2H3,(H2,19,20,21)(H2,22,23,24)/b18-17+


name: Tetryzoline hydrochloride
cas: 522-48-5
chebiid: CHEBI:9492
formula: C13H16N2.ClH
inchikey: BJORNXNYWNIWEY-UHFFFAOYSA-N
norman_susdat_id: NS00080036
smiles: Cl.C1CC(C2=NCCN2)c3ccccc3C1
inchi:
InChI=1/C13H16N2.ClH/c1-2-6-11-10(4-1)5-3-7-12(11)13-14-8-9-15-13;/h1-2,4,6,12H,3,5,7-9H2,(H,14,15);1H


name: DEQUALINIUM
cas: 522-51-0
chebiid: CHEBI:41872
chemspiderid: 2886
formula: C30H39N4
inchikey: PCSWXVJAIHCTMO-UHFFFAOYSA-P
norman_susdat_id: NS00008690
pubchem_cid: 2993
smiles: Cc1cc(N)c2ccccc2[n+]1CCCCCCCCCC[n+]1c(C)cc(N)c2ccccc12
inchi:
InChI=1S/C30H38N4/c1-23-21-27(31)25-15-9-11-17-29(25)33(23)19-13-7-5-3-4-6-8-14-20-34-24(2)22-28(32)26-16-10-12-18-30(26)34/h9-12,15-18,21-22,31-32H,3-8,13-14,19-20H2,1-2H3/p+2


name: Papaveraldine
cas: 522-57-6
chebiid: CHEBI:174754
chemspiderid: 87524
dtxsid: DTXSID90200239
formula: C20H19N1O5
inchikey: QJTBIAMBPGGIGI-UHFFFAOYSA-N
norman_susdat_id: NS00032468
pubchem_cid: 96932
smiles: COc1cc2c(cc1OC)c(ncc2)C(=O)c1cc(OC)c(OC)cc1
inchi:
InChI=1S/C20H19NO5/c1-23-15-6-5-13(10-16(15)24-2)20(22)19-14-11-18(26-4)17(25-3)9-12(14)7-8-21-19/h5-11H,1-4H3


name: Ethylhydrocupreine
cas: 522-60-1
chebiid: CHEBI:86455
dtxsid: DTXSID50893924
formula: C21H28N2O2
inchikey: SUWZHLCNFQWNPE-LATRNWQMSA-N
norman_susdat_id: NS00043345
pubchem_cid: 87880
smiles: OC(C=1C=CN=C2C=CC(OCC)=CC21)C3N4CCC(C3)C(C4)CC
inchi:
InChI=1/C21H28N2O2/c1-3-14-13-23-10-8-15(14)11-20(23)21(24)17-7-9-22-19-6-5-16(25-4-2)12-18(17)19/h5-7,9,12,14-15,20-21,24H,3-4,8,10-11,13H2,1-2H3


name: hydroquinine
cas: 522-66-7
chemspiderid: 3523
formula: C20H26N2O2
inchikey: LJOQGZACKSYWCH-UHFFFAOYSA-N
norman_susdat_id: NS00004163
pubchem_cid: 3649
smiles: CCC1CN2CCC1CC2C(O)c1ccnc2ccc(OC)cc12
inchi:
InChI=1S/C20H26N2O2/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/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3


name: Antimycin A3
cas: 522-70-3
chebiid: CHEBI:175924
chemspiderid: 215110
dtxsid: DTXSID7037189
formula: C26H36N2O9
inchikey: PVEVXUMVNWSNIG-PDPGNHKXSA-N
norman_susdat_id: NS00011746
pubchem_cid: 245869
smiles: CCCC[C@@H]1[C@H]([C@@H](OC(=O)[C@H]([C@H](OC1=O)C)NC(=O)c2cccc(c2O)NC=O)C)OC(=O)CC(C)C
inchi:
InChI=1S/C26H36N2O9/c1-6-7-9-18-23(37-20(30)12-14(2)3)16(5)36-26(34)21(15(4)35-25(18)33)28-24(32)17-10-8-11-19(22(17)31)27-13-29/h8,10-11,13-16,18,21,23,31H,6-7,9,12H2,1-5H3,(H,27,29)(H,28,32)/t15-,16+,18-,21+,23+/m1/s1


name: Yohimbic acid
cas: 522-87-2
chebiid: CHEBI:35633
chemspiderid: 65106
dtxsid: DTXSID4048563
formula: C20H24N2O3
inchikey: AADVZSXPNRLYLV-GKMXPDSGSA-N
norman_susdat_id: NS00032471
pubchem_cid: NA
smiles: O.O[C@H]1CC[C@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@@H]2[C@H]1C(=O)O
inchi:
InChI=1S/C20H24N2O3/c23-17-6-5-11-10-22-8-7-13-12-3-1-2-4-15(12)21-19(13)16(22)9-14(11)18(17)20(24)25/h1-4,11,14,16-18,21,23H,5-10H2,(H,24,25)/t11-,14+,16+,17-,18+/m1/s1


name: 5,8,13,13a-tetrahydro-9,10-dimethoxy-6H-benzo[g]benzo-1,3-dioxolo[5,6-a]quinolizine
cas: 522-97-4
chebiid: CHEBI:22998
formula: C20H21NO4
inchikey: VZTUIEROBZXUFA-UHFFFAOYSA-N
norman_susdat_id: NS00080322
smiles: COc1ccc2CC3N(CCc4cc5OCOc5cc34)Cc2c1OC
inchi:
InChI=1/C20H21NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,8-9,16H,5-7,10-11H2,1-2H3


name: Calcium dihydrogen bis[4-[(4-chloro-6-sulphonato-m-tolyl)azo]-3-hydroxy-2-naphthoate]
cas: 52202-90-1
formula: C18H13ClN2O6S.1/2Ca
inchikey: MGPKPANYASGNOR-UHFFFAOYSA-L
norman_susdat_id: NS00090494
inchi:
InChI=1/2C18H13ClN2O6S.Ca.2H2/c2*1-9-6-14(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*2-8,22H,1H3,(H,23,24)(H,25,26,27);;2*1H/q;;+2;2*+1/p-4

smiles:
[H+].[H+].[Ca+2].Cc3cc(N=Nc1c2ccccc2cc(C([O-])=O)c1O)c(cc3Cl)S([O-])(=O)=O.[O-]C(=O)c3cc1ccccc1c(N=Nc2cc(C)c(Cl)cc2S([O-])(=O)=O)c3O


cas: 52204-07-6
dtxsid: DTXSID60889757
formula: C34H27N9O9S3
inchikey: ARJJUUGHVCQXMY-UHFFFAOYSA-L
norman_susdat_id: NS00060877
pubchem_cid: 135666545
name:
Disodium 4-amino-3-[[4-[[4-[(2,4-diaminophenyl)azo]phenyl]sulphonyl]phenyl]azo]-5-hydroxy-6-(phenylazo)naphthalene-2,7-disulphonate

inchi:
InChI=1/C34H27N9O9S3.2Na/c35-20-6-15-27(26(36)18-20)41-38-22-7-11-24(12-8-22)53(45,46)25-13-9-23(10-14-25)40-42-32-28(54(47,48)49)16-19-17-29(55(50,51)52)33(34(44)30(19)31(32)37)43-39-21-4-2-1-3-5-21;;/h1-18,44H,35-37H2,(H,47,48,49)(H,50,51,52);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC2=CC(=C(N=NC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(N=NC5=CC=C(N)C=C5N)C=C4)C(N)=C2C(O)=C1N=NC=6C=CC=CC6)S(=O)(=O)[O-]


name: 2-amino-1H-thioxantheno[2,1,9-def]isoquinoline-1,3(2H)-dione
cas: 52204-19-0
dtxsid: DTXSID80966579
formula: C18H10N2O2S
inchikey: BSICVDWEIBOGJV-UHFFFAOYSA-N
norman_susdat_id: NS00060878
pubchem_cid: 104117
smiles: O=C1C2=CC=C3SC=4C=CC=CC4C=5C=CC(C(=O)N1N)=C2C35
inchi:
InChI=1/C18H10N2O2S/c19-20-17(21)11-6-5-10-9-3-1-2-4-13(9)23-14-8-7-12(18(20)22)15(11)16(10)14/h1-8H,19H2


cas: 52204-35-0
formula: C30H24ClN3O11S3
inchikey: QJHFNCUSHWKNEV-UHFFFAOYSA-N
norman_susdat_id: NS00060879
pubchem_cid: 104118
name:
1-amino-4-[[4-[[3-[(2-chloroethyl)sulphonyl]benzoyl]methylamino]-2-sulphophenyl]amino]-9,10-dihydro-9,10-dioxoanthracene-2-sulphonic acid

inchi:
InChI=1/C30H24ClN3O11S3/c1-34(30(37)16-5-4-6-18(13-16)46(38,39)12-11-31)17-9-10-21(23(14-17)47(40,41)42)33-22-15-24(48(43,44)45)27(32)26-25(22)28(35)19-7-2-3-8-20(19)29(26)36/h2-10,13-15,33H,11-12,32H2,1H3,(H,40,41,42)(H,43,44,45)

smiles:
O=C1C=2C=CC=CC2C(=O)C3=C(C=C(C(N)=C13)S(=O)(=O)O)NC4=CC=C(C=C4S(=O)(=O)O)N(C(=O)C5=CC=CC(=C5)S(=O)(=O)CCCl)C


name: (S)-2-amino-3-benzylthio-N-(4-nitrophenyl)propionamide
cas: 52207-07-5
formula: C16H17N3O3S
inchikey: HOZQMLJHNCMSRC-OAHLLOKOSA-N
norman_susdat_id: NS00089724
smiles: N[C@H](CSCc1ccccc1)C(=O)Nc2ccc(cc2)[N+](=O)[O-]
inchi:
InChI=1/C16H17N3O3S/c17-15(11-23-10-12-4-2-1-3-5-12)16(20)18-13-6-8-14(9-7-13)19(21)22/h1-9,15H,10-11,17H2,(H,18,20)


name: 7,11-Hexadecadien-1-ol, acetate, (Z,Z)-
cas: 52207-99-5
chemspiderid: 4515633
dtxsid: DTXSID9035751
formula: C18H32O2
inchikey: BXJHOKLLMOYSRQ-QOXWLJPHSA-N
norman_susdat_id: NS00022287
pubchem_cid: 5363265
smiles: CCCC/C=CCC/C=CCCCCCCOC(=O)C
inchi:
InChI=1S/C18H32O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-18(2)19/h6-7,10-11H,3-5,8-9,12-17H2,1-2H3/b7-6-,11-10-


name: (3R-cis)-1-(6-methoxy-4-quinolyl)-3-(3-vinyl-4-piperidyl)propan-1-one monohydrochloride
cas: 52211-63-9
formula: C20H24N2O2.ClH
inchikey: YUBRJAHSRSIPKX-UHFFFAOYSA-N
norman_susdat_id: NS00090495
smiles: Cl.COc1ccc2nccc(C(=O)CCC3CCNCC3C=C)c2c1
inchi:
InChI=1/C20H24N2O2.ClH/c1-3-14-13-21-10-8-15(14)4-7-20(23)17-9-11-22-19-6-5-16(24-2)12-18(17)19;/h3,5-6,9,11-12,14-15,21H,1,4,7-8,10,13H2,2H3;1H


cas: 52212-02-9
chebiid: CHEBI:8231
dtxsid: DTXSID8023478
formula: C35H62N4O4
inchikey: TXWBOBJCRVVBJF-YTGGZNJNSA-L
norman_susdat_id: NS00060880
pubchem_cid: 65332
smiles: [Br-].[Br-].O=C(OC1CC2CCC3C(CCC4(C)C(OC(=O)C)C(N5CC[N+](C)(C)CC5)CC34)C2(C)CC1N6CC[N+](C)(C)CC6)C
name:
4,4'-[(2ß,3a,5a,16ß,17ß)-3,17-bis(acetoxy)androstane-2,16-diyl]bis[1,1-dimethylpiperazinium] dibromide

inchi:
InChI=1/C35H62N4O4.2BrH/c1-24(40)42-32-21-26-9-10-27-28(35(26,4)23-31(32)37-15-19-39(7,8)20-16-37)11-12-34(3)29(27)22-30(33(34)43-25(2)41)36-13-17-38(5,6)18-14-36;;/h26-33H,9-23H2,1-8H3;2*1H/q+2;;/p-2


name: Ciprofibrate
cas: 52214-84-3
chemspiderid: 2661
dtxsid: DTXSID8020331
formula: C13H14Cl2O3
inchikey: KPSRODZRAIWAKH-UHFFFAOYNA-N
norman_susdat_id: NS00032454
pubchem_cid: NA
smiles: CC(C)(Oc1ccc(cc1)C1CC1(Cl)Cl)C(=O)O
inchi:
InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7-13(10,14)15/h3-6,10H,7H2,1-2H3,(H,16,17)/t10-/m0/s1


name: 2',4,4',6'-tetrahydroxy-3-methoxychalcone
cas: 52218-19-6
chebiid: CHEBI:80485
dtxsid: DTXSID20966593
formula: C16H14O6
inchikey: WQWVIIRCVOZVPN-HWKANZROSA-N
norman_susdat_id: NS00059270
pubchem_cid: 21117850
smiles: O=C(C=CC1=CC=C(O)C(OC)=C1)C=2C(O)=CC(O)=CC2O
inchi:
InChI=1/C16H14O6/c1-22-15-6-9(2-4-11(15)18)3-5-12(19)16-13(20)7-10(17)8-14(16)21/h2-8,17-18,20-21H,1H3


name: C.I. Solvent Blue 49
cas: 52218-73-2
chemspiderid: 99802
formula: C34H25N4O6S2
inchikey: RBYJOOWYRXEJAM-UHFFFAOYSA-M
norman_susdat_id: NS00021188
pubchem_cid: 111203
smiles: c1ccc(cc1)Nc2cc3c(cc2S(=O)(=O)[O-])nc4c5cccc(c5c(cc4[n+]3c6ccccc6)Nc7ccccc7)S(=O)(=O)[O-].[Na+]
inchi:
InChI=1S/C34H24N4O6S2/c39-45(40,41)31-18-10-17-25-33(31)28(36-23-13-6-2-7-14-23)20-30-34(25)37-26-21-32(46(42,43)44)27(35-22-11-4-1-5-12-22)19-29(26)38(30)24-15-8-3-9-16-24/h1-21H,(H3,35,36,39,40,41,42,43,44)/p+1


name: 1-Amino-2-bromo-4-(3-chloroanilino)anthraquinone
cas: 52222-30-7
chemspiderid: 94007
dtxsid: DTXSID70200272
formula: C20H12Br1Cl1N2O2
inchikey: MHCBWGDHCLKTPC-UHFFFAOYSA-N
norman_susdat_id: NS00032458
pubchem_cid: 104127
smiles: Nc1c2C(=O)c3c(cccc3)C(=O)c2c(Nc2cc(Cl)ccc2)cc1Br
inchi:
InChI=1S/C20H12BrClN2O2/c21-14-9-15(24-11-5-3-4-10(22)8-11)16-17(18(14)23)20(26)13-7-2-1-6-12(13)19(16)25/h1-9,24H,23H2


name: 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,3-phenylene bisisobutyrate hydrobromide
cas: 52223-83-3
formula: C20H31NO5.BrH
inchikey: BWZYYMJUBTWGSP-UHFFFAOYSA-N
norman_susdat_id: NS00089995
smiles: Br.CC(C)C(=O)Oc1cc(OC(=O)C(C)C)cc(c1)C(O)CNC(C)(C)C
inchi:
InChI=1/C20H31NO5.BrH/c1-12(2)18(23)25-15-8-14(17(22)11-21-20(5,6)7)9-16(10-15)26-19(24)13(3)4;/h8-10,12-13,17,21-22H,11H2,1-7H3;1H


name: 2-[(3-aziridin-1-ylpropionyl)methyl]-2-ethylpropane-1,3-diyl bis(aziridine-1-propionate)
cas: 52234-82-9
dtxsid: DTXSID50904382
formula: C21H35N3O5
inchikey: ZQJQJCKOJJMMAV-UHFFFAOYSA-N
norman_susdat_id: NS00059341
pubchem_cid: NA
smiles: O=C(OCC(COC(=O)CCN1CC1)(CC(=O)CCN2CC2)CC)CCN3CC3
inchi:
InChI=1/C21H35N3O5/c1-2-21(15-18(25)3-6-22-9-10-22,16-28-19(26)4-7-23-11-12-23)17-29-20(27)5-8-24-13-14-24/h2-17H2,1H3


name: Lithium 4-[(5-amino-3-methyl-1-phenyl-1H-pyrazol-4-yl)azo]-2,5-dichlorobenzenesulphonate
cas: 52236-73-4
formula: C16H13Cl2N5O3S.Li
inchikey: DYAUAABGDBUCRB-UHFFFAOYSA-M
norman_susdat_id: NS00087590
smiles: [Li+].[O-]S(=O)(=O)c1cc(Cl)c(cc1Cl)N=Nc3c(C)nn(c2ccccc2)c3N
inchi:
InChI=1/C16H13Cl2N5O3S.Li/c1-9-15(16(19)23(22-9)10-5-3-2-4-6-10)21-20-13-7-12(18)14(8-11(13)17)27(24,25)26;/h2-8H,19H2,1H3,(H,24,25,26);/q;+1/p-1


cas: 52236-80-3
chemspiderid: 86523
dtxsid: DTXSID6068723
formula: C24H19N1O7
inchikey: JYNOZFVFSQTKFP-UHFFFAOYSA-N
norman_susdat_id: NS00032463
pubchem_cid: 104131
smiles: CCOC(=O)COc1ccc(Oc2c(N)c3c(c(O)c2)C(=O)c2c(cccc2)C3=O)cc1
name:
Acetic acid, [4-[(1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthracenyl)oxy]phenoxy]-, ethyl ester

inchi:
InChI=1S/C24H19NO7/c1-2-30-19(27)12-31-13-7-9-14(10-8-13)32-18-11-17(26)20-21(22(18)25)24(29)16-6-4-3-5-15(16)23(20)28/h3-11,26H,2,12,25H2,1H3


name: Methyl (4-((1-amino-9,10-dihydro-4-hydroxy-9,10-dioxo-2-anthryl)oxy)phenoxy)acetate
cas: 52236-82-5
chemspiderid: 94011
dtxsid: DTXSID60200281
formula: C23H17N1O7
inchikey: ZESKQYXABHALKR-UHFFFAOYSA-N
norman_susdat_id: NS00032464
pubchem_cid: 104132
smiles: COC(=O)COc1ccc(Oc2cc(O)c3C(=O)c4c(cccc4)C(=O)c3c2N)cc1
inchi:
InChI=1S/C23H17NO7/c1-29-18(26)11-30-12-6-8-13(9-7-12)31-17-10-16(25)19-20(21(17)24)23(28)15-5-3-2-4-14(15)22(19)27/h2-10,25H,11,24H2,1H3


name: Dipotassium 4,4'-bis(4-phenyl-2H-1,2,3-triazol-2-yl)stilbene-2,2'-disulphonate
cas: 52237-03-3
formula: C30H22N6O6S2.2K
inchikey: FMHDAIDWNXHASR-YHPRVSEPSA-L
norman_susdat_id: NS00087832
smiles: [K+].[K+].[O-]S(=O)(=O)c1cc(ccc1\C=C\c2ccc(cc2S(=O)(=O)[O-])n3ncc(n3)c4ccccc4)n5ncc(n5)c6ccccc6
inchi:
InChI=1/C30H22N6O6S2.2K/c37-43(38,39)29-17-25(35-31-19-27(33-35)21-7-3-1-4-8-21)15-13-23(29)11-12-24-14-16-26(18-30(24)44(40,41)42)36-32-20-28(34-36)22-9-5-2-6-10-22;;/h1-20H,(H,37,38,39)(H,40,41,42);;/q;2*+1/p-2


cas: 52238-69-4
formula: C33H34N10O10S2
inchikey: NUTZBMSWUMFSIW-UHFFFAOYSA-L
norman_susdat_id: NS00054977
pubchem_cid: NA
name:
Disodium 3,3'-[[6-[bis(2-hydroxyethyl)amino]-1,3,5-triazine-2,4-diyl]bis[imino(3-methoxy-4,1-phenylene)azo]]bis[benzenesulphonate]

inchi:
InChI=1/C33H34N10O10S2.2Na/c1-52-29-19-23(41-39-21-5-3-7-25(17-21)54(46,47)48)9-11-27(29)34-31-36-32(38-33(37-31)43(13-15-44)14-16-45)35-28-12-10-24(20-30(28)53-2)42-40-22-6-4-8-26(18-22)55(49,50)51;;/h3-12,17-20,44-45H,13-16H2,1-2H3,(H,46,47,48)(H,49,50,51)(H2,34,35,36,37,38);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C=1C=CC=C(N=NC2=CC=C(NC=3N=C(N=C(N3)N(CCO)CCO)NC4=CC=C(N=NC5=CC=CC(=C5)S(=O)(=O)[O-])C=C4OC)C(OC)=C2)C1


name: Pigment Red 242
cas: 52238-92-3
dtxsid: DTXSID7052159
formula: C42H22Cl4F6N6O4
inchikey: GEVPMCITMSGJKL-UHFFFAOYSA-N
norman_susdat_id: NS00055455
pubchem_cid: 104133
inchi:
InChI=1/C42H22Cl4F6N6O4/c43-27-11-9-21(41(47,48)49)15-33(27)55-57-35-23-7-3-1-5-19(23)13-25(37(35)59)39(61)53-31-17-30(46)32(18-29(31)45)54-40(62)26-14-20-6-2-4-8-24(20)36(38(26)60)58-56-34-16-22(42(50,51)52)10-12-28(34)44/h1-18,59-60H,(H,53,61)(H,54,62)

smiles:
O=C(NC1=CC(Cl)=C(C=C1Cl)NC(=O)C2=CC=3C=CC=CC3C(N=NC4=CC(=CC=C4Cl)C(F)(F)F)=C2O)C5=CC=6C=CC=CC6C(N=NC7=CC(=CC=C7Cl)C(F)(F)F)=C5O


name: 4-[[2-chloro-5-(trifluoromethyl)phenyl]azo]-3-hydroxy-2-naphthoic acid
cas: 52238-94-5
dtxsid: DTXSID1068724
formula: C18H10ClF3N2O3
inchikey: LFUPHTJXWMRCJO-UHFFFAOYSA-N
norman_susdat_id: NS00056309
pubchem_cid: 100655
smiles: O=C(O)C1=CC=2C=CC=CC2C(N=NC3=CC(=CC=C3Cl)C(F)(F)F)=C1O
inchi:
InChI=1/C18H10ClF3N2O3/c19-13-6-5-10(18(20,21)22)8-14(13)23-24-15-11-4-2-1-3-9(11)7-12(16(15)25)17(26)27/h1-8,25H,(H,26,27)


name: 4,4'-[(9,10-dihydro-9,10-dioxo-1,4-anthrylene)bis(iminoethylene)]bis(benzenesulphonamide)
cas: 52239-00-6
dtxsid: DTXSID00966617
formula: C30H28N4O6S2
inchikey: VZYINEVRCMIOTE-UHFFFAOYSA-N
norman_susdat_id: NS00055346
pubchem_cid: 104134
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(=CC=C(NCCC4=CC=C(C=C4)S(=O)(=O)N)C13)NCCC5=CC=C(C=C5)S(=O)(=O)N
inchi:
InChI=1/C30H28N4O6S2/c31-41(37,38)21-9-5-19(6-10-21)15-17-33-25-13-14-26(34-18-16-20-7-11-22(12-8-20)42(32,39)40)28-27(25)29(35)23-3-1-2-4-24(23)30(28)36/h1-14,33-34H,15-18H2,(H2,31,37,38)(H2,32,39,40)


name: .beta.-Alanine, N-ethyl-N-[4-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]-, methyl ester
cas: 52239-04-0
chemspiderid: 21161479
dtxsid: DTXSID6068725
formula: C19H19N5O4S1
inchikey: VHLFTCNAACYPDY-UHFFFAOYSA-N
norman_susdat_id: NS00020421
pubchem_cid: 104135
smiles: CCN(CCC(=O)OC)c1ccc(cc1)N=Nc1c2cc(ccc2ns1)[N+](=O)[O-]
inchi:
InChI=1S/C19H19N5O4S/c1-3-23(11-10-18(25)28-2)14-6-4-13(5-7-14)20-21-19-16-12-15(24(26)27)8-9-17(16)22-29-19/h4-9,12H,3,10-11H2,1-2H3/b21-20+


name: Thiethylperazine malate
cas: 52239-63-1
dtxsid: DTXSID1045586
formula: C30H41N3O10S2
inchikey: GTHHLZDYRHLACN-UHFFFAOYSA-N
norman_susdat_id: NS00076192
smiles: OC(CC(O)=O)C(O)=O.OC(CC(O)=O)C(O)=O.CCSC1=CC2=C(SC3=C(C=CC=C3)N2CCCN2CCN(C)CC2)C=C1
inchi:
InChI=1/C22H29N3S2.2C4H6O5/c1-3-26-18-9-10-22-20(17-18)25(19-7-4-5-8-21(19)27-22)12-6-11-24-15-13-23(2)14-16-24;2*5-2(4(8)9)1-3(6)7/h4-5,7-10,17H,3,6,11-16H2,1-2H3;2*2,5H,1H2,(H,6,7)(H,8,9)


name: Methyl 3-(p-(hexadecyloxy)phenyl)-3-oxopropionate
cas: 52244-81-2
chemspiderid: 89038
dtxsid: DTXSID20200287
formula: C26H42O4
inchikey: HQLVFFFDPGVGHG-UHFFFAOYSA-N
norman_susdat_id: NS00032466
pubchem_cid: 98593
smiles: CCCCCCCCCCCCCCCCOc1ccc(cc1)C(=O)CC(=O)OC
inchi:
InChI=1S/C26H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-30-24-19-17-23(18-20-24)25(27)22-26(28)29-2/h17-20H,3-16,21-22H2,1-2H3


cas: 52246-55-6
formula: C36H26Cl2N12O15S4
inchikey: AZYHPHOAMRCNHC-UHFFFAOYSA-J
norman_susdat_id: NS00054978
pubchem_cid: NA
name:
Benzoic acid, 2-[[4-chloro-6-[[3-[[8-[[4-chloro-6-(methylphenylamino)-1,3,5-triazin-2-yl]amino]-1-hydroxy-3,6-disulfo-2-naphthalenyl]azo]-4-sulfophenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfo-, tetrasodium salt

inchi:
InChI=1/C36H26Cl2N12O15S4.4Na/c1-50(18-5-3-2-4-6-18)36-45-32(38)44-35(47-36)41-24-15-20(67(57,58)59)11-16-12-26(69(63,64)65)28(29(51)27(16)24)49-48-23-13-17(7-10-25(23)68(60,61)62)39-33-42-31(37)43-34(46-33)40-22-9-8-19(66(54,55)56)14-21(22)30(52)53;;;;/h2-15,51H,1H3,(H,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,41,44,45,47)(H2,39,40,42,43,46);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=C([O-])C1=CC(=CC=C1NC=2N=C(Cl)N=C(N2)NC3=CC=C(C(N=NC=4C(O)=C5C(C=C(C=C5NC6=NC(Cl)=NC(=N6)N(C=7C=CC=CC7)C)S(=O)(=O)[O-])=CC4S(=O)(=O)[O-])=C3)S(=O)(=O)[O-])S(=O)(=O)O


name: (5S,6S)-5-Hydroxy-4-methoxy-6-[(E)-2-phenylvinyl]-5,6-dihydro-2H-pyran-2-one
cas: 52247-80-0
formula: C14H14O4
inchikey: UDDKTZFKFIZQAW-XNHDODSBSA-N
norman_susdat_id: NS00097327
smiles: COC1=CC(=O)O[C@H]([C@@H]1O)/C=C/C2=CC=CC=C2
inchi:
InChI=1S/C14H14O4/c1-17-12-9-13(15)18-11(14(12)16)8-7-10-5-3-2-4-6-10/h2-9,11,14,16H,1H3/b8-7+/t11-,14-/m0/s1


cas: 52248-38-1
formula: C16H18N2O5S
inchikey: FCZNNHHXCFARDY-UHFFFAOYSA-N
norman_susdat_id: NS00087881
smiles: CC1(C)C(N2C(C(NC(=O)Cc3ccccc3)C2=O)S1=O)C(=O)O
name:
[2S-(2a,4a,5a,6ß)]-3,3-dimethyl-7-oxo-6-(phenylacetamido)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid 4-oxide

inchi:
InChI=1/C16H18N2O5S/c1-16(2)12(15(21)22)18-13(20)11(14(18)24(16)23)17-10(19)8-9-6-4-3-5-7-9/h3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)


name: Acetamide, N-[4-methoxy-3-[(phenylmethyl)amino]phenyl]-
cas: 52258-02-3
chemspiderid: 94015
dtxsid: DTXSID1068728
formula: C16H18N2O2
inchikey: YVYKCBBUIXNBDT-UHFFFAOYSA-N
norman_susdat_id: NS00032469
pubchem_cid: 104137
smiles: COc1c(NCc2ccccc2)cc(NC(=O)C)cc1
inchi:
InChI=1S/C16H18N2O2/c1-12(19)18-14-8-9-16(20-2)15(10-14)17-11-13-6-4-3-5-7-13/h3-10,17H,11H2,1-2H3,(H,18,19)


name: Calcium di(octacosanoate)
cas: 52258-47-6
formula: C28H56O2.1/2Ca
inchikey: FIASKJZPIYCESA-UHFFFAOYSA-L
norman_susdat_id: NS00087834
smiles: [Ca+2].CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C28H56O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30;/h2*2-27H2,1H3,(H,29,30);/q;;+2/p-2


name: Atropine O-(hydrogen sulphate)
cas: 5226-98-2
dtxsid: DTXSID20966634
formula: C17H23NO6S
inchikey: GMLBHJMTVBLXLJ-UHFFFAOYSA-N
norman_susdat_id: NS00044791
pubchem_cid: 64660
smiles: O=C(OC1CC2N(C)C(CC2)C1)C(C=3C=CC=CC3)COS(=O)(=O)O
inchi:
InChI=1/C17H23NO6S/c1-18-13-7-8-14(18)10-15(9-13)24-17(19)16(11-23-25(20,21)22)12-5-3-2-4-6-12/h2-6,13-16H,7-11H2,1H3,(H,20,21,22)


name: 1-ethyl-2-[3-(1-ethyl-2-methyl-4(1H)-quinolylidene)prop-1-enyl]-4-methylquinolinium iodide
cas: 52260-69-2
dtxsid: DTXSID80966635
formula: C27H29N2
inchikey: PGPWDXMONHNWIC-UHFFFAOYSA-M
norman_susdat_id: NS00055456
pubchem_cid: NA
smiles: [I-].C=1C=CC2=C(C1)C(=CC=CC3=CC(=C4C=CC=CC4=[N+]3CC)C)C=C(N2CC)C
inchi:
InChI=1/C27H29N2.HI/c1-5-28-21(4)19-22(25-15-8-10-17-27(25)28)12-11-13-23-18-20(3)24-14-7-9-16-26(24)29(23)6-2;/h7-19H,5-6H2,1-4H3;1H/q+1;/p-1


name: (-)-Carprofen
cas: 52263-83-9
chebiid: CHEBI:59206
dtxsid: DTXSID40426422
formula: C15H12ClNO2
inchikey: PUXBGTOOZJQSKH-MRVPVSSYSA-N
norman_susdat_id: NS00096937
smiles: C[C@H](C1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)Cl)C(=O)O
inchi:
InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/t8-/m1/s1


name: (2S)-2-(6-Chloro-9H-carbazol-2-yl)propanoic acid
cas: 52263-84-0
chebiid: CHEBI:59207
dtxsid: DTXSID70349877
formula: C15H12ClNO2
inchikey: PUXBGTOOZJQSKH-QMMMGPOBSA-N
norman_susdat_id: NS00096945
smiles: C[C@@H](C1=CC2=C(C=C1)C3=C(N2)C=CC(=C3)Cl)C(=O)O
inchi:
InChI=1S/C15H12ClNO2/c1-8(15(18)19)9-2-4-11-12-7-10(16)3-5-13(12)17-14(11)6-9/h2-8,17H,1H3,(H,18,19)/t8-/m0/s1


name: Ibodutant
cas: 522664-63-7
dtxsid: DTXSID20966639
formula: C37H48N4O4S
inchikey: YQYSVMKCMIUCHY-WJOKGBTCSA-N
norman_susdat_id: NS00071840
pubchem_cid: 11527495
smiles: Cc1ccc2cc(C(=O)NC3(C(=O)N[C@H](Cc4ccccc4)C(=O)NCC4CCN(CC5CCOCC5)CC4)CCCC3)sc2c1
inchi:
InChI=1S/C37H48N4O4S/c1-26-9-10-30-23-33(46-32(30)21-26)35(43)40-37(15-5-6-16-37)36(44)39-31(22-27-7-3-2-4-8-27)34(42)38-24-28-11-17-41(18-12-28)25-29-13-19-45-20-14-29/h2-4,7-10,21,23,28-29,31H,5-6,11-20,22,24-25H2,1H3,(H,38,42)(H,39,44)(H,40,43)/t31-/m1/s1


name: Calcium dodecylphenolate
cas: 52274-73-4
formula: C18H30O.1/2Ca
inchikey: AOEDKRBKBXVTAU-UHFFFAOYSA-L
norman_susdat_id: NS00087612
smiles: [Ca+2].CCCCCCCCCCCCc1ccccc1[O-].CCCCCCCCCCCCc2ccccc2[O-]
inchi:
InChI=1/2C18H30O.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)19;/h2*12-13,15-16,19H,2-11,14H2,1H3;/q;;+2/p-2


name: 17ß-hydroxyestr-4-en-3-one 17-[3-[4-(hexyloxy)phenyl]propionate]
cas: 52279-57-9
dtxsid: DTXSID20966654
formula: C33H46O4
inchikey: PQKRYXHYWWQULJ-JMKYFRMNSA-N
norman_susdat_id: NS00055504
pubchem_cid: 92341
smiles: O=C(OC1CCC2C3CCC4=CC(=O)CCC4C3CCC12C)CCC5=CC=C(OCCCCCC)C=C5
inchi:
InChI=1/C33H46O4/c1-3-4-5-6-21-36-26-12-7-23(8-13-26)9-18-32(35)37-31-17-16-30-29-14-10-24-22-25(34)11-15-27(24)28(29)19-20-33(30,31)2/h7-8,12-13,22,27-31H,3-6,9-11,14-21H2,1-2H3


name: Potassium octylbenzenesulphonate
cas: 52286-56-3
formula: C14H22O3S.K
inchikey: LHRDALCSHPMGJN-UHFFFAOYSA-M
norman_susdat_id: NS00087908
smiles: [K+].CCCCCCCCc1ccccc1S(=O)(=O)[O-]
inchi:
InChI=1/C14H22O3S.K/c1-2-3-4-5-6-7-10-13-11-8-9-12-14(13)18(15,16)17;/h8-9,11-12H,2-7,10H2,1H3,(H,15,16,17);/q;+1/p-1


name: Ginsenoside Rg2
cas: 52286-74-5
chebiid: CHEBI:77151
chemspiderid: 6956
formula: C42H72O13
inchikey: AGBCLJAHARWNLA-DQUQINEDSA-N
norman_susdat_id: NS00018318
pubchem_cid: 21599924
inchi:
InChI=1S/C42H72O13/c1-20(2)11-10-14-42(9,51)22-12-16-40(7)28(22)23(44)17-26-39(6)15-13-27(45)38(4,5)35(39)24(18-41(26,40)8)53-37-34(32(49)30(47)25(19-43)54-37)55-36-33(50)31(48)29(46)21(3)52-36/h11,21-37,43-51H,10,12-19H2,1-9H3/t21-,22-,23+,24-,25+,26+,27-,28-,29-,30+,31+,32-,33+,34+,35-,36-,37+,39+,40+,41+,42-/m0/s1

smiles:
CC1C(C(C(C(O1)OC2C(C(C(OC2OC3CC4(C(CC(C5C4(CCC5C(C)(CCC=C(C)C)O)C)O)C6(C3C(C(CC6)O)(C)C)C)C)CO)O)O)O)O)O


name: Disodium [ethylenebis(oxyethyleneoxy)]bispropanesulphonate
cas: 52286-85-8
dtxsid: DTXSID10966663
formula: C12H26O10S2
inchikey: CEARGZNKLXDGGB-UHFFFAOYSA-L
norman_susdat_id: NS00056381
pubchem_cid: NA
smiles: [Na+].[Na+].O=S(=O)([O-])C(OCCOCCOCCOC(CC)S(=O)(=O)[O-])CC
inchi:
InChI=1/C12H26O10S2.2Na/c1-3-11(23(13,14)15)21-9-7-19-5-6-20-8-10-22-12(4-2)24(16,17)18;;/h11-12H,3-10H2,1-2H3,(H,13,14,15)(H,16,17,18);;/q;2*+1/p-2


name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazinyl]pyrimidinium methanesulphonate
cas: 52293-23-9
formula: C16H18N4O2.CH4O3S
inchikey: DEZKFCIOSKCCHK-UHFFFAOYSA-N
norman_susdat_id: NS00087651
smiles: CS(=O)(=O)[O-].C(N1CCN(CC1)c2nccc[nH+]2)c3ccc4OCOc4c3
inchi:
InChI=1/C16H18N4O2.CH4O3S/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14;1-5(2,3)4/h1-5,10H,6-9,11-12H2;1H3,(H,2,3,4)


name: 2H-Anthra[1,2-d][1,3]oxazine-4,7,12(1H)-trione, 6-nitro-
cas: 52298-01-8
chemspiderid: 84191
dtxsid: DTXSID5068732
formula: C16H8N2O6
inchikey: RASPFILDTJZROS-UHFFFAOYSA-N
norman_susdat_id: NS00032473
pubchem_cid: 104142
smiles: [O-][N+](=O)c1cc2c(NCOC2=O)c2c1C(=O)c1c(cccc1)C2=O
inchi:
InChI=1S/C16H8N2O6/c19-14-7-3-1-2-4-8(7)15(20)12-11(14)10(18(22)23)5-9-13(12)17-6-24-16(9)21/h1-5,17H,6H2


cas: 52298-21-2
formula: C26H24N12O6S2
inchikey: NBHXUBJBRYYUTA-KMXZHCNGSA-L
norman_susdat_id: NS00055524
pubchem_cid: 53428507
name:
Disodium 5-[[4-amino-6-anilino-1,3,5-triazin-2-yl]amino]-2-[2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]-2-sulphonatophenyl]vinyl]benzenesulphonate

inchi:
InChI=1/C26H24N12O6S2.2Na/c27-21-33-22(28)35-24(34-21)31-17-10-8-14(19(12-17)45(39,40)41)6-7-15-9-11-18(13-20(15)46(42,43)44)32-26-37-23(29)36-25(38-26)30-16-4-2-1-3-5-16;;/h1-13H,(H,39,40,41)(H,42,43,44)(H5,27,28,31,33,34,35)(H4,29,30,32,36,37,38);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(=CC=C1C=CC2=CC=C(C=C2S(=O)(=O)[O-])NC=3N=C(N=C(N3)NC=4C=CC=CC4)N)NC=5N=C(N=C(N5)N)N


name: 4-Amino-2,5-dimethoxy-N-phenylbenzenesulfonamide
cas: 52298-44-9
chemspiderid: 94021
dtxsid: DTXSID2044686
formula: C14H16N2O4S1
inchikey: NFYQAEPHDGXJSY-UHFFFAOYSA-N
norman_susdat_id: NS00010111
pubchem_cid: 104143
smiles: COc1cc(c(OC)cc1N)S(=O)(=O)Nc1ccccc1
inchi:
InChI=1S/C14H16N2O4S/c1-19-12-9-14(13(20-2)8-11(12)15)21(17,18)16-10-6-4-3-5-7-10/h3-9,16H,15H2,1-2H3


name: Succinyl-trialanine-4-nitroanilide
cas: 52299-14-6
chemspiderid: 3799780
dtxsid: DTXSID10200317
formula: C19H25N5O8
inchikey: GVUGADOWXGKRAE-SRVKXCTJSA-N
norman_susdat_id: NS00032474
pubchem_cid: 5484223
smiles: C[C@H](NC(=O)CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C19H25N5O8/c1-10(20-15(25)8-9-16(26)27)17(28)21-11(2)18(29)22-12(3)19(30)23-13-4-6-14(7-5-13)24(31)32/h4-7,10-12H,8-9H2,1-3H3,(H,20,25)(H,21,28)(H,22,29)(H,23,30)(H,26,27)/t10-,11-,12-/m0/s1


name: Bis(heneicosafluorodecyl)phosphinic acid
cas: 52299-27-1
chemspiderid: NA
dtxsid: DTXSID70881308
formula: C20H9F34O2P1
inchikey: DEENCVDXCNHHAM-UHFFFAOYSA-N
norman_susdat_id: NS00019111
pubchem_cid: NA
inchi:
InChI=1S/C20H9F34O2P/c21-5(22,7(25,26)9(29,30)11(33,34)13(37,38)15(41,42)17(45,46)19(49,50)51)1-3-57(55,56)4-2-6(23,24)8(27,28)10(31,32)12(35,36)14(39,40)16(43,44)18(47,48)20(52,53)54/h1-4H2,(H,55,56)

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


name: O-Methylpsychotrine
cas: 523-01-3
chebiid: CHEBI:81067
chemspiderid: 58545
dtxsid: DTXSID70200318
formula: C29H38N2O4
inchikey: FBRKYRSUSJWLHH-HMHJJOSWSA-N
norman_susdat_id: NS00032476
pubchem_cid: 65033
smiles: CC[C@H]1CN2CCc3c(cc(OC)c(OC)c3)[C@@H]2C[C@@H]1CC1=NCCc2c1cc(OC)c(OC)c2
inchi:
InChI=1S/C29H38N2O4/c1-6-18-17-31-10-8-20-14-27(33-3)29(35-5)16-23(20)25(31)12-21(18)11-24-22-15-28(34-4)26(32-2)13-19(22)7-9-30-24/h13-16,18,21,25H,6-12,17H2,1-5H3/t18-,21-,25-/m0/s1


name: Dibenzyl phthalate
cas: 523-31-9
chemspiderid: 191496
dtxsid: DTXSID80870581
formula: C22H18O4
inchikey: UCVPKAZCQPRWAY-UHFFFAOYSA-N
norman_susdat_id: NS00020092
pubchem_cid: 220773
smiles: O=C(OCc1ccccc1)c1c(cccc1)C(=O)OCc1ccccc1
inchi:
InChI=1S/C22H18O4/c23-21(25-15-17-9-3-1-4-10-17)19-13-7-8-14-20(19)22(24)26-16-18-11-5-2-6-12-18/h1-14H,15-16H2


name: 1-(3-methylbutyl)-4-[[1-(3-methylbutyl)-4(1H)-quinolylidene]methyl]quinolinium iodide
cas: 523-42-2
dtxsid: DTXSID60966673
formula: C29H35N2
inchikey: QGKMIGUHVLGJBR-UHFFFAOYSA-M
norman_susdat_id: NS00042850
pubchem_cid: NA
smiles: [I-].C=1C=CC2=C(C1)C(C=CN2CCC(C)C)=CC3=CC=[N+](C=4C=CC=CC34)CCC(C)C
inchi:
InChI=1/C29H35N2.HI/c1-22(2)13-17-30-19-15-24(26-9-5-7-11-28(26)30)21-25-16-20-31(18-14-23(3)4)29-12-8-6-10-27(25)29;/h5-12,15-16,19-23H,13-14,17-18H2,1-4H3;1H/q+1;/p-1


name: Sodium 4-[(4-hydroxy-1-naphthyl)azo]benzenesulphonate
cas: 523-44-4
formula: C16H12N2O4S.Na
inchikey: AZLXCBPKSXFMET-UHFFFAOYSA-M
norman_susdat_id: NS00080045
smiles: [Na+].[O-]S(=O)(=O)c1ccc(cc1)N=Nc2ccc(O)c3ccccc23
inchi:
InChI=1/C16H12N2O4S.Na/c19-16-10-9-15(13-3-1-2-4-14(13)16)18-17-11-5-7-12(8-6-11)23(20,21)22;/h1-10,19H,(H,20,21,22);/q;+1/p-1


name: beta-Cadinene
cas: 523-47-7
chebiid: CHEBI:27723
chemspiderid: 10207
dtxsid: DTXSID0024713
formula: C15H24
inchikey: USDOQCCMRDNVAH-KKUMJFAQSA-N
norman_susdat_id: NS00094606
pubchem_cid: 10657
smiles: CC(C)[C@@H]1CC=C(C)[C@@H]2CC=C(C)C[C@@H]12
inchi:
InChI=1S/C15H24/c1-10(2)13-8-6-12(4)14-7-5-11(3)9-15(13)14/h5-6,10,13-15H,7-9H2,1-4H3/t13-,14-,15-/m0/s1


name: Etymemazine
cas: 523-54-6
chebiid: CHEBI:135393
chemspiderid: 64847
dtxsid: DTXSID0046935
formula: C20H26N2S1
inchikey: USKHCLAXJXCWMO-UHFFFAOYSA-N
norman_susdat_id: NS00003228
pubchem_cid: 71823
smiles: CCc1ccc2Sc3ccccc3N(CC(C)CN(C)C)c2c1
inchi:
InChI=1S/C20H26N2S/c1-5-16-10-11-20-18(12-16)22(14-15(2)13-21(3)4)17-8-6-7-9-19(17)23-20/h6-12,15H,5,13-14H2,1-4H3


name: 3-hydroxy-4-[(2-hydroxyphenyl)azo]-N-(2,4-xylyl)naphthalene-2-carboxamide
cas: 523-67-1
formula: C25H21N3O3
inchikey: JSSROCUNTZVPCI-UHFFFAOYSA-N
norman_susdat_id: NS00042834
pubchem_cid: 100814
smiles: O=C(NC1=CC=C(C=C1C)C)C2=CC=3C=CC=CC3C(N=NC=4C=CC=CC4O)=C2O
inchi:
InChI=1/C25H21N3O3/c1-15-11-12-20(16(2)13-15)26-25(31)19-14-17-7-3-4-8-18(17)23(24(19)30)28-27-21-9-5-6-10-22(21)29/h3-14,29-30H,1-2H3,(H,26,31)


name: Dimenhydrinate
cas: 523-87-5
chebiid: CHEBI:94848
dtxsid: DTXSID9025087
formula: C24H28ClN5O3
inchikey: NFLLKCVHYJRNRH-UHFFFAOYSA-N
norman_susdat_id: NS00076452
smiles: CN1C2=C(NC(Cl)=N2)C(=O)N(C)C1=O.CN(C)CCOC(C1=CC=CC=C1)C1=CC=CC=C1
inchi:
InChI=1S/C17H21NO.C7H7ClN4O2/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;1-11-4-3(9-6(8)10-4)5(13)12(2)7(11)14/h3-12,17H,13-14H2,1-2H3;1-2H3,(H,9,10)


name: 9-(5-O-Phosphonopentofuranosyl)-9H-purine-2,6-diol
cas: 523-98-8
chebiid: CHEBI:15652
dtxsid: DTXSID40948098
formula: C10H13N4O9P
inchikey: DCTLYFZHFGENCW-UUOKFMHZSA-N
norman_susdat_id: NS00069869
pubchem_cid: 73323
smiles: O=c1[nH]c(=O)c2ncn([C@@H]3O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]3O)c2[nH]1
inchi:
InChI=1S/C10H13N4O9P/c15-5-3(1-22-24(19,20)21)23-9(6(5)16)14-2-11-4-7(14)12-10(18)13-8(4)17/h2-3,5-6,9,15-16H,1H2,(H2,19,20,21)(H2,12,13,17,18)/t3-,5-,6-,9-/m1/s1


name: Anisatin
cas: 5230-87-5
dtxsid: DTXSID6058396
formula: C15H20O8
inchikey: GEVWHIDSUOMVRI-QWNPAUMXSA-N
norman_susdat_id: NS00075481
smiles: C[C@@H]1C[C@@H](O)[C@]2(O)[C@]3(COC3=O)[C@@](C)(O)[C@H]3C[C@@]12[C@@H](O)C(=O)O3
inchi:
InChI=1S/C15H20O8/c1-6-3-7(16)15(21)13(6)4-8(23-10(18)9(13)17)12(2,20)14(15)5-22-11(14)19/h6-9,16-17,20-21H,3-5H2,1-2H3/t6-,7-,8-,9+,12+,13+,14+,15-/m1/s1


cas: 52301-70-9
formula: C40H40N12O20S6.6Na
inchikey: AMECABTUOXBYGQ-UHFFFAOYSA-H
norman_susdat_id: NS00087658
name:
Hexasodium 2,2'-[vinylenebis[(3-sulphonato-4,1-phenylene)imino[6-morpholino-1,3,5-triazine-4,2-diyl]imino]]bis(benzene-1,4-disulphonate)

inchi:
InChI=1/C40H40N12O20S6.6Na/c53-73(54,55)27-7-9-31(75(59,60)61)29(21-27)43-37-45-35(47-39(49-37)51-11-15-71-16-12-51)41-25-5-3-23(33(19-25)77(65,66)67)1-2-24-4-6-26(20-34(24)78(68,69)70)42-36-46-38(50-40(48-36)52-13-17-72-18-14-52)44-30-22-28(74(56,57)58)8-10-32(30)76(62,63)64;;;;;;/h1-10,19-22H,11-18H2,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)(H2,41,43,45,47,49)(H2,42,44,46,48,50);;;;;;/q;6*+1/p-6/rC40H34N12Na6O20S6/c53-73-79(59,60)27-7-9-31(81(63,64)75-55)29(21-27)43-37-45-35(47-39(49-37)51-11-15-71-16-12-51)41-25-5-3-23(33(19-25)83(67,68)77-57)1-2-24-4-6-26(20-34(24)84(69,70)78-58)42-36-46-38(50-40(48-36)52-13-17-72-18-14-52)44-30-22-28(80(61,62)74-54)8-10-32(30)82(65,66)76-56/h1-10,19-22H,11-18H2,(H2,41,43,45,47,49)(H2,42,44,46,48,50)

smiles:
[Na]OS(=O)(=O)c1ccc(c(Nc2nc(Nc3ccc(C=Cc4ccc(Nc5nc(Nc6cc(ccc6S(=O)(=O)O[Na])S(=O)(=O)O[Na])nc(n5)N7CCOCC7)cc4S(=O)(=O)O[Na])c(c3)S(=O)(=O)O[Na])nc(n2)N8CCOCC8)c1)S(=O)(=O)O[Na]


name: C.I. Disperse Green 5
cas: 52303-01-2
chemspiderid: 94026
dtxsid: DTXSID5068734
formula: C26H18N2O4
inchikey: ZFPNHHAKQMROGS-UHFFFAOYSA-N
norman_susdat_id: NS00021189
pubchem_cid: 104148
smiles: Oc1ccc(O)c2c1C(=O)c1c(Nc3ccccc3)ccc(Nc3ccccc3)c1C2=O
inchi:
InChI=1S/C26H18N2O4/c29-19-13-14-20(30)24-23(19)25(31)21-17(27-15-7-3-1-4-8-15)11-12-18(22(21)26(24)32)28-16-9-5-2-6-10-16/h1-14,27-30H


name: Ammonium tetradecyl sulphate
cas: 52304-21-9
formula: C14H30O4S.H3N
inchikey: AHVCYVORAAEAKW-UHFFFAOYSA-N
norman_susdat_id: NS00087919
smiles: [NH4+].CCCCCCCCCCCCCCOS(=O)(=O)[O-]
inchi:
InChI=1/C14H30O4S.H3N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-19(15,16)17;/h2-14H2,1H3,(H,15,16,17);1H3


name: 2-(tetrapropenyl)succinic acid, monoester with propane-1,2-diol
cas: 52305-09-6
dtxsid: DTXSID40894708
formula: C19H36O5
inchikey: KOQHGSIOHVERTI-UHFFFAOYSA-N
norman_susdat_id: NS00056382
pubchem_cid: NA
smiles: O=C(OC(C)CO)CC(C(=O)O)CCCCCCCCCCCC
inchi:
InChI=1/C19H36O5/c1-3-4-5-6-7-8-9-10-11-12-13-17(19(22)23)14-18(21)24-16(2)15-20/h16-17,20H,3-15H2,1-2H3,(H,22,23)


name: Benzo(2'-(1-benzyl-4-piperidyl))hydrazide
cas: 52313-55-0
chemspiderid: 65886
dtxsid: DTXSID70200338
formula: C19H23N3O1
inchikey: QEUTZPRLLBCXNK-UHFFFAOYSA-N
norman_susdat_id: NS00032479
pubchem_cid: 73103
smiles: O=C(NNC1CCN(Cc2ccccc2)CC1)c1ccccc1
inchi:
InChI=1S/C19H23N3O/c23-19(17-9-5-2-6-10-17)21-20-18-11-13-22(14-12-18)15-16-7-3-1-4-8-16/h1-10,18,20H,11-15H2,(H,21,23)


name: Cypermethrin
cas: 52315-07-8
chebiid: CHEBI:4042
dtxsid: DTXSID1023998
formula: C22H19Cl2NO3
inchikey: KAATUXNTWXVJKI-UHFFFAOYSA-N
norman_susdat_id: NS00108173
eea_notation: CAS_52315-07-8
inchi:
InChI=1/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3


name: L-Lysine, N6-(1-oxododecyl)-
cas: 52315-75-0
chemspiderid: 9488414
dtxsid: DTXSID80885998
formula: C18H36N2O3
inchikey: GYDYJUYZBRGMCC-UHFFFAOYSA-N
norman_susdat_id: NS00013826
pubchem_cid: NA
smiles: CCCCCCCCCCCC(=O)NCCCC[C@H](N)C(O)=O
inchi:
InChI=1S/C18H36N2O3/c1-2-3-4-5-6-7-8-9-10-14-17(21)20-15-12-11-13-16(19)18(22)23/h16H,2-15,19H2,1H3,(H,20,21)(H,22,23)/t16-/m0/s1


name: Methyl dodecylbenzenesulphonate
cas: 52319-06-9
chemspiderid: 105024
dtxsid: DTXSID60200342
formula: C19H32O3S1
inchikey: AIXYHMWIAPSTQG-UHFFFAOYSA-N
norman_susdat_id: NS00032481
pubchem_cid: 6365495
smiles: CCCCCCCCCCCCc1c(cccc1)S(=O)(=O)OC
inchi:
InChI=1S/C19H32O3S/c1-3-4-5-6-7-8-9-10-11-12-15-18-16-13-14-17-19(18)23(20,21)22-2/h13-14,16-17H,3-12,15H2,1-2H3


name: 2-[(4-chloro-2-nitrophenyl)azo]-N-(4-ethoxyphenyl)-3-oxobutyramide
cas: 52320-66-8
dtxsid: DTXSID40885999
formula: C18H18ClN4O5
inchikey: ZCDDNAUHUZEVSJ-UHFFFAOYSA-N
norman_susdat_id: NS00055035
pubchem_cid: NA
smiles: O=C(NC1=CC=C(OCC)C=C1)C(N=NC2=CC=C(Cl)C=C2[N+](=O)[O-])C(=O)C
inchi:
InChI=1/C18H17ClN4O5/c1-3-28-14-7-5-13(6-8-14)20-18(25)17(11(2)24)22-21-15-9-4-12(19)10-16(15)23(26)27/h4-10,17H,3H2,1-2H3,(H,20,25)


name: Dioctadecyl peroxydicarbonate
cas: 52326-66-6
dtxsid: DTXSID90966707
formula: C38H74O6
inchikey: KPTUAUSJTKZRRF-UHFFFAOYSA-N
norman_susdat_id: NS00056386
pubchem_cid: 104155
smiles: O=C(OOCCCCCCCCCCCCCCCCCC)C(=O)OOCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C38H74O6/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41-43-37(39)38(40)44-42-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3


name: Dimethylcurcumin
cas: 52328-98-0
dtxsid: DTXSID10200352
formula: C23H24O6
inchikey: ZMGUKFHHNQMKJI-CIOHCNBKSA-N
norman_susdat_id: NS00073181
pubchem_cid: 6477182
smiles: COc1ccc(/C=C/C(=O)/C=C(O)/C=C/c2ccc(OC)c(OC)c2)cc1OC
inchi:
InChI=1S/C23H24O6/c1-26-20-11-7-16(13-22(20)28-3)5-9-18(24)15-19(25)10-6-17-8-12-21(27-2)23(14-17)29-4/h5-15,24H,1-4H3/b9-5+,10-6+,18-15-


cas: 52333-30-9
dtxsid: DTXSID80889759
formula: C47H38N6O14S4
inchikey: RZPXQVBZMHRBNY-UHFFFAOYSA-L
norman_susdat_id: NS00055421
pubchem_cid: 135801436
name:
Disodium 5,5'-[(1-methylethylidene)bis(4,1-phenyleneoxysulphonyl-2,1-phenyleneazo)]bis[6-amino-4-hydroxynaphthalene-2-sulphonate]

inchi:
InChI=1/C47H38N6O14S4.2Na/c1-47(2,29-13-17-31(18-14-29)66-70(62,63)41-9-5-3-7-37(41)50-52-45-35(48)21-11-27-23-33(68(56,57)58)25-39(54)43(27)45)30-15-19-32(20-16-30)67-71(64,65)42-10-6-4-8-38(42)51-53-46-36(49)22-12-28-24-34(69(59,60)61)26-40(55)44(28)46;;/h3-26,54-55H,48-49H2,1-2H3,(H,56,57,58)(H,59,60,61);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(O)=C2C(C=CC(N)=C2N=NC=3C=CC=CC3S(=O)(=O)OC4=CC=C(C=C4)C(C5=CC=C(OS(=O)(=O)C=6C=CC=CC6N=NC7=C(N)C=CC8=CC(=CC(O)=C87)S(=O)(=O)[O-])C=C5)(C)C)=C1


name: Triammonium triiron tetracitrate
cas: 52336-55-7
formula: C6H8O7.3/4Fe.3/4H3N
inchikey: AUALKMYBYGCYNY-UHFFFAOYSA-E
norman_susdat_id: NS00087910
inchi:
InChI=1/4C6H8O7.3Fe.3H3N/c4*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;;/h4*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;;;3*1H3/q;;;;3*+3;;;/p-9

smiles:
[NH4+].[NH4+].[NH4+].[Fe+3].[Fe+3].[Fe+3].OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O.OC(CC([O-])=O)(CC([O-])=O)C([O-])=O


name: Tetrakis(tert-dodecylthio)-p-benzoquinone
cas: 52341-37-4
chemspiderid: 21161487
dtxsid: DTXSID10200372
formula: C54H100O2S4
inchikey: YCHIUOKVRFFMMP-UHFFFAOYSA-N
norman_susdat_id: NS00032485
pubchem_cid: 6452622
smiles: CCCCCCCCCC(C)(C)SC1=C(SC(C)(C)CCCCCCCCC)C(=O)C(=C(SC(C)(C)CCCCCCCCC)C1=O)SC(C)(C)CCCCCCCCC
inchi:
InChI=1S/C54H100O2S4/c1-13-17-21-25-29-33-37-41-51(5,6)57-47-45(55)49(59-53(9,10)43-39-35-31-27-23-19-15-3)50(60-54(11,12)44-40-36-32-28-24-20-16-4)46(56)48(47)58-52(7,8)42-38-34-30-26-22-18-14-2/h13-44H2,1-12H3


name: tert-butyl L-tryptophyl-L-methionyl-L-a-aspartyl-3-phenyl-L-alaninamidoformate
cas: 5235-21-2
dtxsid: DTXSID00966733
formula: C34H44N6O8S
inchikey: DDROKKYSSQPXQO-UHFFFAOYSA-N
norman_susdat_id: NS00044103
pubchem_cid: 3616754
smiles: O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N)CC=1C=CC=CC1)CC(=O)O)CCSC)CC2=CNC=3C=CC=CC32
inchi:
InChI=1/C34H44N6O8S/c1-34(2,3)48-33(47)40-26(17-21-19-36-23-13-9-8-12-22(21)23)31(45)37-24(14-15-49-4)30(44)39-27(18-28(41)42)32(46)38-25(29(35)43)16-20-10-6-5-7-11-20/h5-13,19,24-27,36H,14-18H2,1-4H3,(H2,35,43)(H,37,45)(H,38,46)(H,39,44)(H,40,47)(H,41,42)


name: 4-Morpholinepropanamine, N-1-naphthalenyl-
cas: 5235-82-5
chemspiderid: 71233
dtxsid: DTXSID3074604
formula: C17H22N2O1
inchikey: AFZZFBZPHUDOLV-UHFFFAOYSA-N
norman_susdat_id: NS00032488
pubchem_cid: 78898
smiles: C(CNc1c2ccccc2ccc1)CN1CCOCC1
inchi:
InChI=1S/C17H22N2O/c1-2-7-16-15(5-1)6-3-8-17(16)18-9-4-10-19-11-13-20-14-12-19/h1-3,5-8,18H,4,9-14H2


name: [1,1'-Biphenyl]-4-carbonitrile, 4'-(heptyloxy)-
cas: 52364-72-4
chemspiderid: 94048
dtxsid: DTXSID4068747
formula: C20H23N1O1
inchikey: JPBFKTCKZLMJED-UHFFFAOYSA-N
norman_susdat_id: NS00032492
pubchem_cid: 104172
smiles: CCCCCCCOc1ccc(cc1)c1ccc(cc1)C#N
inchi:
InChI=1S/C20H23NO/c1-2-3-4-5-6-15-22-20-13-11-19(12-14-20)18-9-7-17(16-21)8-10-18/h7-14H,2-6,15H2,1H3


name: [1,1'-Biphenyl]-4-carbonitrile, 4'-(octyloxy)-
cas: 52364-73-5
chemspiderid: 94049
dtxsid: DTXSID9068748
formula: C21H25N1O1
inchikey: GPGGNNIMKOVSAG-UHFFFAOYSA-N
norman_susdat_id: NS00032493
pubchem_cid: 104173
smiles: CCCCCCCCOc1ccc(cc1)c1ccc(cc1)C#N
inchi:
InChI=1S/C21H25NO/c1-2-3-4-5-6-7-16-23-21-14-12-20(13-15-21)19-10-8-18(17-22)9-11-19/h8-15H,2-7,16H2,1H3


name: Dipivefrin
cas: 52365-63-6
chebiid: CHEBI:4646
chemspiderid: 2994
dtxsid: DTXSID1048544
formula: C19H29N1O5
inchikey: OCUJLLGVOUDECM-UHFFFAOYSA-N
norman_susdat_id: NS00003866
pubchem_cid: 3105
smiles: CNCC(O)c1ccc(OC(=O)C(C)(C)C)c(OC(=O)C(C)(C)C)c1
inchi:
InChI=1S/C19H29NO5/c1-18(2,3)16(22)24-14-9-8-12(13(21)11-20-7)10-15(14)25-17(23)19(4,5)6/h8-10,13,20-21H,11H2,1-7H3


name: 6-amino-5-[[2-sulpho-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-1-sulphonic acid
cas: 52371-97-8
formula: C18H17N3O12S4
inchikey: UICXRGMIUUBVMW-UHFFFAOYSA-N
norman_susdat_id: NS00055507
pubchem_cid: 104183
smiles: O=S(=O)(O)OCCS(=O)(=O)C1=CC=C(N=NC=2C(N)=CC=C3C2C=CC=C3S(=O)(=O)O)C(=C1)S(=O)(=O)O
inchi:
InChI=1/C18H17N3O12S4/c19-14-6-5-12-13(2-1-3-16(12)35(24,25)26)18(14)21-20-15-7-4-11(10-17(15)36(27,28)29)34(22,23)9-8-33-37(30,31)32/h1-7,10H,8-9,19H2,(H,24,25,26)(H,27,28,29)(H,30,31,32)


name: 7H-[1]Benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile, 3-(diethylamino)-7-oxo-
cas: 52372-36-8
chemspiderid: 94059
dtxsid: DTXSID4068749
formula: C23H18N4O2
inchikey: UTTFXJZCRVZYQF-UHFFFAOYSA-N
norman_susdat_id: NS00020831
pubchem_cid: 104184
smiles: CCN(CC)c1cc2c(cc1)cc1c3nc4ccccc4n3c(=O)c(C#N)c1o2
inchi:
InChI=1S/C23H18N4O2/c1-3-26(4-2)15-10-9-14-11-16-21(29-20(14)12-15)17(13-24)23(28)27-19-8-6-5-7-18(19)25-22(16)27/h5-12H,3-4H2,1-2H3


name: 7H-[1]Benzopyrano[3',2':3,4]pyrido[1,2-a]benzimidazole-6-carbonitrile, 3-(diethylamino)-7-imino-
cas: 52372-39-1
chemspiderid: 12524254
dtxsid: DTXSID3068750
formula: C23H19N5O1
inchikey: FXFIDVQMNRVEGQ-UHFFFAOYSA-N
norman_susdat_id: NS00021190
pubchem_cid: 104185
smiles: CCN(CC)c1ccc2cc3c4nc5c(cccc5)n4c(=N)c(C#N)c3oc2c1
inchi:
InChI=1S/C23H19N5O/c1-3-27(4-2)15-10-9-14-11-16-21(29-20(14)12-15)17(13-24)22(25)28-19-8-6-5-7-18(19)26-23(16)28/h5-12,25H,3-4H2,1-2H3/b25-22+


name: 1-Amino-4-(butylamino)-9,10-dihydro-9,10-dioxoanthracene-2,3-dicarbonitrile
cas: 52373-91-8
chemspiderid: 94061
dtxsid: DTXSID30200394
formula: C20H16N4O2
inchikey: AVXVHLZKHDDRRM-UHFFFAOYSA-N
norman_susdat_id: NS00032495
pubchem_cid: 104186
smiles: CCCCNc1c2C(=O)c3c(cccc3)C(=O)c2c(N)c(C#N)c1C#N
inchi:
InChI=1S/C20H16N4O2/c1-2-3-8-24-18-14(10-22)13(9-21)17(23)15-16(18)20(26)12-7-5-4-6-11(12)19(15)25/h4-7,24H,2-3,8,23H2,1H3


name: 1-Amino-4-(ethylamino)-9,10-dihydro-9,10-dioxoanthracene-2,3-dicarbonitrile
cas: 52373-93-0
chemspiderid: 94063
dtxsid: DTXSID90200395
formula: C18H12N4O2
inchikey: SHLWDQRKKVHJIM-UHFFFAOYSA-N
norman_susdat_id: NS00032496
pubchem_cid: 104188
smiles: CCNc1c2C(=O)c3c(cccc3)C(=O)c2c(N)c(C#N)c1C#N
inchi:
InChI=1S/C18H12N4O2/c1-2-22-16-12(8-20)11(7-19)15(21)13-14(16)18(24)10-6-4-3-5-9(10)17(13)23/h3-6,22H,2,21H2,1H3


name: 6-O-(2,3,4-tri-O-acetyl-6-deoxy-a-L-mannopyranosyl)-ß-D-glucose tetraacetate
cas: 5239-09-8
dtxsid: DTXSID90966803
formula: C26H36O17
inchikey: OKQBJGPZGUMMEZ-BLPUGYGOSA-N
norman_susdat_id: NS00045322
pubchem_cid: 21115602
smiles: O=CC(OC(=O)C)C(OC(=O)C)C(OC(=O)C)C(OC(=O)C)COC1OC(C)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C
inchi:
InChI=1/C26H36O17/c1-11-21(39-14(4)30)24(42-17(7)33)25(43-18(8)34)26(36-11)35-10-20(38-13(3)29)23(41-16(6)32)22(40-15(5)31)19(9-27)37-12(2)28/h9,11,19-26H,10H2,1-8H3


name: 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-3-hydroxy-1-methyl-2H-1,4-benzodiazepin-2-one
cas: 52391-89-6
formula: C16H12ClFN2O2
inchikey: RMFYWNFETXNTIQ-UHFFFAOYSA-N
norman_susdat_id: NS00054165
pubchem_cid: 40344
smiles: O=C1N(C=2C=CC(Cl)=CC2C(=NC1O)C=3C=CC=CC3F)C
inchi:
InChI=1/C16H12ClFN2O2/c1-20-13-7-6-9(17)8-11(13)14(19-15(21)16(20)22)10-4-2-3-5-12(10)18/h2-8,15,21H,1H3


name: 5-oxo-DL-proline, compound with dodecyl glycinate (1:1)
cas: 52392-24-2
dtxsid: DTXSID10966805
formula: C14H29NO2
inchikey: KBBGORFBXBQWIY-HVDRVSQOSA-N
norman_susdat_id: NS00055508
pubchem_cid: 6452634
smiles: O=C(OCCCCCCCCCCCC)CN.O=C1NC(C(=O)O)CC1
inchi:
InChI=1/C14H29NO2.C5H7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-17-14(16)13-15;7-4-2-1-3(6-4)5(8)9/h2-13,15H2,1H3;3H,1-2H2,(H,6,7)(H,8,9)


name: Malonyl-coenzyme A
cas: 524-14-1
chebiid: CHEBI:15531
chemspiderid: 846
formula: C24H38N7O19P3S1
inchikey: LTYOQGRJFJAKNA-DVVLENMVSA-N
norman_susdat_id: NS00015050
pubchem_cid: 644066
inchi:
InChI=1S/C24H38N7O19P3S/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31/h10-12,17-19,23,36-37H,3-9H2,1-2H3,(H,26,32)(H,27,38)(H,33,34)(H,42,43)(H,44,45)(H2,25,28,29)(H2,39,40,41)/t12-,17-,18-,19+,23-/m1/s1

smiles:
CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C2N=CN=C3N)O)OP(=O)(O)O)C<br>(C(=O)NCCC(=O)NCCSC(=O)CC(=O)O)O


name: Callocyanine
cas: 524-26-5
chemspiderid: 66439
formula: C15H12N2O5
inchikey: DNLNTLLPAVLFLS-UHFFFAOYSA-N
norman_susdat_id: NS00002279
pubchem_cid: 73802
smiles: CN(C)c1ccc2[nH]c3c(cc(=O)c(=O)c3oc2c1)C(O)=O
inchi:
InChI=1S/C15H12N2O5/c1-17(2)7-3-4-9-11(5-7)22-14-12(16-9)8(15(20)21)6-10(18)13(14)19/h3-6,16H,1-2H3,(H,20,21)


name: Fraxin
cas: 524-30-1
chebiid: CHEBI:5170
chemspiderid: 4437971
dtxsid: DTXSID30200410
formula: C16H18O10
inchikey: CRSFLLTWRCYNNX-QBNNUVSCSA-N
norman_susdat_id: NS00032506
pubchem_cid: 5273568
smiles: COc1c(O)c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@@H](O)[C@H]2O)c2oc(=O)ccc2c1
inchi:
InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12-,13-,16+/m1/s1


name: Cinchonidine sulphate
cas: 524-61-8
formula: C19H22N2O.1/2H2O4S
inchikey: KFHZMXDENPHHOU-YYXOUSRLSA-N
norman_susdat_id: NS00080325
smiles: O[C@@H]([C@@H]1C[C@@H]2CCN1C[C@@H]2C=C)c3ccnc4ccccc34.OS(=O)(=O)O
inchi:
InChI=1/C19H22N2O.H2O4S/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;1-5(2,3)4/h2-7,9,13-14,18-19,22H,1,8,10-12H2;(H2,1,2,3,4)


name: Cupreine
cas: 524-63-0
dtxsid: DTXSID30878416
formula: C19H22N2O2
inchikey: VJFMSYZSFUWQPZ-BIPCEHGGSA-N
norman_susdat_id: NS00042836
pubchem_cid: 92792
smiles: OC=1C=CC2=NC=CC(=C2C1)C(O)C3N4CCC(C3)C(C=C)C4
inchi:
InChI=1/C19H22N2O2/c1-2-12-11-21-8-6-13(12)9-18(21)19(23)15-5-7-20-17-4-3-14(22)10-16(15)17/h2-5,7,10,12-13,18-19,22-23H,1,6,8-9,11H2


name: Mebhydrolin
cas: 524-81-2
chemspiderid: 4402434
dtxsid: DTXSID5048558
formula: C19H20N2
inchikey: FQQIIPAOSKSOJM-UHFFFAOYSA-O
norman_susdat_id: NS00001851
pubchem_cid: 5233035
smiles: C[NH+]1CCc2c(C1)c1ccccc1n2Cc1ccccc1
inchi:
InChI=1S/C19H20N2/c1-20-12-11-19-17(14-20)16-9-5-6-10-18(16)21(19)13-15-7-3-2-4-8-15/h2-10H,11-14H2,1H3/p+1


name: ethybenztropine
cas: 524-83-4
chemspiderid: 64701
formula: C22H27N1O1
inchikey: PHTMLLGDZBZXMW-WOJBJXKFSA-N
norman_susdat_id: NS00004214
pubchem_cid: 71637
smiles: CCN1[C@@H]2CC[C@@H]1CC(C2)OC(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C22H27NO/c1-2-23-19-13-14-20(23)16-21(15-19)24-22(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-22H,2,13-16H2,1H3/t19-,20-/m1/s1


name: Benzylimidobis(p-methoxyphenyl)methane
cas: 524-96-9
chemspiderid: 61535
dtxsid: DTXSID50200417
formula: C22H21N1O2
inchikey: IZZONQFQTGCWNC-UHFFFAOYSA-N
norman_susdat_id: NS00032516
pubchem_cid: 68233
smiles: COc1ccc(cc1)C(=NCc1ccccc1)c1ccc(OC)cc1
inchi:
InChI=1S/C22H21NO2/c1-24-20-12-8-18(9-13-20)22(19-10-14-21(25-2)15-11-19)23-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3


name: Medrylamine
cas: 524-99-2
chebiid: CHEBI:135181
formula: C18H23NO2
inchikey: BXCMCXBSUDRYPF-UHFFFAOYSA-N
norman_susdat_id: NS00043367
pubchem_cid: 10669
smiles: O(C1=CC=C(C=C1)C(OCCN(C)C)C=2C=CC=CC2)C
inchi:
InChI=1/C18H23NO2/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


name: Becocalcidiol
cas: 524067-21-8
dtxsid: DTXSID50415362
formula: C23H36O2
inchikey: QSLUXQQUPXBIHH-YHSKWIAJSA-N
norman_susdat_id: NS00071021
pubchem_cid: 5289547
smiles: C=C1[C@H](O)CC(=C/C=C2CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@@H](C)CC)C[C@H]1O
inchi:
InChI=1S/C23H36O2/c1-5-15(2)19-10-11-20-18(7-6-12-23(19,20)4)9-8-17-13-21(24)16(3)22(25)14-17/h8-9,15,19-22,24-25H,3,5-7,10-14H2,1-2,4H3/b18-9+/t15-,19+,20-,21+,22+,23+/m0/s1


name: 1,4-Bis(3-acryloxy-2-hydroxypropoxy)butane
cas: 52408-42-1
chemspiderid: 93564
dtxsid: DTXSID30866257
formula: C16H26O8
inchikey: QIPOUSKNIMYTRA-UHFFFAOYSA-N
norman_susdat_id: NS00003160
pubchem_cid: 103631
smiles: OC(COCCCCOCC(O)COC(=O)C=C)COC(=O)C=C
inchi:
InChI=1S/C16H26O8/c1-3-15(19)23-11-13(17)9-21-7-5-6-8-22-10-14(18)12-24-16(20)4-2/h3-4,13-14,17-18H,1-2,5-12H2


name: Glycerol, propoxylated, esters with acrylic acid
cas: 52408-84-1
chemspiderid: 84208
formula: C21H32O9
inchikey: DMQYPVOQAARSNF-UHFFFAOYSA-N
norman_susdat_id: NS00006013
pubchem_cid: 93276
smiles: C=CC(=O)OCCCOCC(COCCCOC(=O)C=C)OCCCOC(=O)C=C
inchi:
InChI=1S/C21H32O9/c1-4-19(22)28-13-7-10-25-16-18(27-12-9-15-30-21(24)6-3)17-26-11-8-14-29-20(23)5-2/h4-6,18H,1-3,7-17H2


name: N-((tert-Butoxy)carbonyl)-D-tryptophan
cas: 5241-64-5
chemspiderid: 90473
dtxsid: DTXSID00200427
formula: C16H20N2O4
inchikey: NFVNYBJCJGKVQK-CYBMUJFWSA-N
norman_susdat_id: NS00032505
pubchem_cid: 111050
smiles: CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-]
inchi:
InChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)18-13(14(19)20)8-10-9-17-12-7-5-4-6-11(10)12/h4-7,9,13,17H,8H2,1-3H3,(H,18,21)(H,19,20)/t13-/m1/s1


name: Benzoxazole, 2-[4-[2-[4-(2-benzoxazolyl)phenyl]ethenyl]phenyl]-5-methyl-
cas: 5242-49-9
chemspiderid: 4687972
dtxsid: DTXSID0063739
formula: C29H20N2O2
inchikey: SOTPOQQKAUOHRO-UHFFFAOYSA-N
norman_susdat_id: NS00007321
pubchem_cid: 111052
smiles: Cc1ccc2oc(nc2c1)-c1ccc(C=Cc2ccc(cc2)-c2nc3ccccc3o2)cc1
inchi:
InChI=1S/C29H20N2O2/c1-19-6-17-27-25(18-19)31-29(33-27)23-15-11-21(12-16-23)8-7-20-9-13-22(14-10-20)28-30-24-4-2-3-5-26(24)32-28/h2-18H,1H3


name: Debromoaplysiatoxin
cas: 52423-28-6
chebiid: CHEBI:4344
dtxsid: DTXSID80880084
formula: C32H48O10
inchikey: REAZZDPREXHWNV-BUNNSNHRSA-N
norman_susdat_id: NS00075610
inchi:
InChI=1/C32H48O10/c1-18(11-12-24(38-7)22-9-8-10-23(34)13-22)29-20(3)26-16-32(41-29)30(5,6)15-19(2)31(37,42-32)17-28(36)39-25(21(4)33)14-27(35)40-26/h8-10,13,18-21,24-26,29,33-34,37H,11-12,14-17H2,1-7H3/t18-,19+,20-,21+,24-,25+,26?,29+,31-,32-/s2

smiles:
[H][C@@]1(O[C@@]23CC(OC(=O)C[C@@]([H])(OC(=O)C[C@](O)(O2)[C@H](C)CC3(C)C)[C@@H](C)O)[C@@H]1C)[C@@H](C)CC[C@H](OC)C1=CC=CC(O)=C1


name: 4-amino-5-bromo-N-[2-(diethylamino)ethyl]-2-methoxybenzamide monohydrochloride
cas: 52423-56-0
formula: C14H22BrN3O2.ClH
inchikey: SGQFXUUDHWNAIN-UHFFFAOYSA-N
norman_susdat_id: NS00087143
smiles: Cl.CCN(CC)CCNC(=O)c1cc(Br)c(N)cc1OC
inchi:
InChI=1/C14H22BrN3O2.ClH/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3;/h8-9H,4-7,16H2,1-3H3,(H,17,19);1H


name: Triquinolin-8-yl phosphate
cas: 52429-99-9
dtxsid: DTXSID20966851
formula: C27H18N3O4P
inchikey: RFZXFOYQOFYOKR-UHFFFAOYSA-N
norman_susdat_id: NS00058980
pubchem_cid: 103632
smiles: O=P(OC=1C=CC=C2C=CC=NC12)(OC=3C=CC=C4C=CC=NC34)OC=5C=CC=C6C=CC=NC56
inchi:
InChI=1/C27H18N3O4P/c31-35(32-22-13-1-7-19-10-4-16-28-25(19)22,33-23-14-2-8-20-11-5-17-29-26(20)23)34-24-15-3-9-21-12-6-18-30-27(21)24/h1-18H


name: Oxeladin dihydrogen citrate
cas: 52432-72-1
formula: C20H33NO3.C6H8O7
inchikey: KVKJFNUGVOFNGU-UHFFFAOYSA-N
norman_susdat_id: NS00088906
smiles: CCN(CC)CCOCCOC(=O)C(CC)(CC)c1ccccc1.OC(=O)CC(O)(CC(=O)O)C(=O)O
inchi:
InChI=1/C20H33NO3.C6H8O7/c1-5-20(6-2,18-12-10-9-11-13-18)19(22)24-17-16-23-15-14-21(7-3)8-4;7-3(8)1-6(13,5(11)12)2-4(9)10/h9-13H,5-8,14-17H2,1-4H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)


name: Stearic acid, compound with diethylamine (1:1)
cas: 52434-58-9
formula: C18H36O2.C4H11N
inchikey: AVDWNNLLWHAQHF-UHFFFAOYSA-N
norman_susdat_id: NS00089569
smiles: CCCCCCCCCCCCCCCCCC(=O)O.CCNCC
inchi:
InChI=1/C18H36O2.C4H11N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-5-4-2/h2-17H2,1H3,(H,19,20);5H,3-4H2,1-2H3


name: 1-[[[3-[[(aziridin-1-ylcarbonyl)amino]methyl]-3,5,5-trimethylcyclohexyl]amino]carbonyl]aziridine
cas: 52434-61-4
dtxsid: DTXSID00966859
formula: C16H28N4O2
inchikey: FLHDPLTVNAMNOE-UHFFFAOYSA-N
norman_susdat_id: NS00058981
pubchem_cid: 103633
smiles: O=C(NCC1(C)CC(NC(=O)N2CC2)CC(C)(C)C1)N3CC3
inchi:
InChI=1/C16H28N4O2/c1-15(2)8-12(18-14(22)20-6-7-20)9-16(3,10-15)11-17-13(21)19-4-5-19/h12H,4-11H2,1-3H3,(H,17,21)(H,18,22)


name: 1,3,5-Tris(2,3-dibromopropyl)-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
cas: 52434-90-9
chemspiderid: 93567
dtxsid: DTXSID9052713
formula: C12H15Br6N3O3
inchikey: NZUPFZNVGSWLQC-UHFFFAOYSA-N
norman_susdat_id: NS00010025
pubchem_cid: 103634
smiles: BrCC(Br)Cn1c(=O)n(CC(Br)CBr)c(=O)n(CC(Br)CBr)c1=O
inchi:
InChI=1S/C12H15Br6N3O3/c13-1-7(16)4-19-10(22)20(5-8(17)2-14)12(24)21(11(19)23)6-9(18)3-15/h7-9H,1-6H2


name: p-nitrophenyl dihydrogen phosphate, compound with 2-amino-2-(hydroxymethyl)propane-1,3-diol (1:1)
cas: 52435-04-8
formula: C6H6NO6P.C4H11NO3
inchikey: YHAXIYFGQRSQOO-UHFFFAOYSA-N
norman_susdat_id: NS00088907
smiles: OP(O)(=O)Oc1ccc(cc1)[N+]([O-])=O.OCC(N)(CO)CO
inchi:
InChI=1/C6H6NO6P.C4H11NO3/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;5-4(1-6,2-7)3-8/h1-4H,(H2,10,11,12);6-8H,1-3,5H2


name: 1,4-dimethyl-5-[(2-phenyl-1H-indol-3-yl)azo]-1H-1,2,4-triazolium methyl sulphate
cas: 52435-12-8
formula: C18H19N6
inchikey: OEHRTQNNMTWNIH-UHFFFAOYSA-N
norman_susdat_id: NS00058982
pubchem_cid: NA
smiles: [O-]S(=O)(=O)OC.N(=C/1c3ccccc3N=C1c2ccccc2)NC4[N+](=N/CN4C)C
inchi:
InChI=1/C18H18N6.CH4O4S/c1-23-12-19-24(2)18(23)22-21-17-14-10-6-7-11-15(14)20-16(17)13-8-4-3-5-9-13;1-5-6(2,3)4/h3-12,18,20H,1-2H3;1H3,(H,2,3,4)


cas: 52435-14-0
dtxsid: DTXSID3068756
formula: C18H18N5S
inchikey: SQKKZLOTNDUUEU-UHFFFAOYSA-M
norman_susdat_id: NS00058983
pubchem_cid: NA
smiles: O=S(=O)([O-])OC.N(=NC=1SC=2C=CC=CC2[N+]1C)C=C3N(C=4C=CC=CC4N3C)C
name:
2-[[(1,3-dihydro-1,3-dimethyl-2H-benzimidazol-2-ylidene)methyl]azo]-3-methylbenzothiazolium methyl sulphate

inchi:
InChI=1/C18H18N5S.CH4O4S/c1-21-13-8-4-5-9-14(13)22(2)17(21)12-19-20-18-23(3)15-10-6-7-11-16(15)24-18;1-5-6(2,3)4/h4-12H,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


cas: 52435-15-1
chemspiderid: 4938713
formula: C38H40N12O8S2
inchikey: WNUUEQSIAHJIGU-BUHFOSPRSA-N
norman_susdat_id: NS00003092
pubchem_cid: 6433587
name:
4,4'-bis[[6-anilino-4-[(2-hydroxyethyl)methylamino]-1,3,5-triazin-2-yl]amino]stilbene-2,2'-disulfonic acid

inchi:
InChI=1S/C38H40N12O8S2/c1-49(19-21-51)37-45-33(39-27-9-5-3-6-10-27)43-35(47-37)41-29-17-15-25(31(23-29)59(53,54)55)13-14-26-16-18-30(24-32(26)60(56,57)58)42-36-44-34(40-28-11-7-4-8-12-28)46-38(48-36)50(2)20-22-52/h3-18,23-24,51-52H,19-22H2,1-2H3,(H,53,54,55)(H,56,57,58)(H2,39,41,43,45,47)(H2,40,42,44,46,48)/b14-13+

smiles:
CN(CCO)c1nc(Nc2ccccc2)nc(Nc2ccc(C=Cc3ccc(Nc4nc(Nc5ccccc5)nc(n4)N(C)CCO)cc3S(O)(=O)=O)c(c2)S(O)(=O)=O)n1


name: Methyl 4-[1-(acetoxy)-3-oxo-1H,3H-naphtho[1,8-cd]pyran-1-yl]-1-hydroxy-2-naphthoate
cas: 52435-87-7
dtxsid: DTXSID00886003
formula: C26H18O7
inchikey: FLIPGGYCYPKIFD-UHFFFAOYSA-N
norman_susdat_id: NS00057891
pubchem_cid: 103637
smiles: O=C(OC)C=1C=C(C=2C=CC=CC2C1O)C3(OC(=O)C=4C=CC=C5C=CC=C3C54)OC(=O)C
inchi:
InChI=1/C26H18O7/c1-14(27)32-26(20-12-6-8-15-7-5-11-18(22(15)20)25(30)33-26)21-13-19(24(29)31-2)23(28)17-10-4-3-9-16(17)21/h3-13,28H,1-2H3


name: SUCROSE TETRASTEA- RATE TRIACETATE
cas: 52439-69-7
chemspiderid: 4955070
formula: C32H58O13
inchikey: ZTFCUOCLNOPQOE-UHFFFAOYSA-N
norman_susdat_id: NS00014142
pubchem_cid: NA
inchi:
InChI=1S/C32H58O13/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(37)42-30-28(40)26(38)23(19-33)45-32(30,43-22(2)36)31(21-35)29(41)27(39)24(20-34)44-31/h23-24,26-30,33-35,38-41H,3-21H2,1-2H3/t23-,24-,26-,27-,28+,29+,30-,31+,32-/m1/s1

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


name: Glucametacin
cas: 52443-21-7
chemspiderid: 2298541
dtxsid: DTXSID80200445
formula: C25H27Cl1N2O8
inchikey: XLVXAUNDHWERBM-IVGWJTKZSA-N
norman_susdat_id: NS00032508
pubchem_cid: 3033980
smiles: COc1cc2c(cc1)n(C(=O)c1ccc(Cl)cc1)c(C)c2CC(=O)N[C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO
inchi:
InChI=1S/C25H27ClN2O8/c1-13-17(10-22(32)27-19(11-29)23(33)24(34)21(31)12-30)18-9-16(36-2)7-8-20(18)28(13)25(35)14-3-5-15(26)6-4-14/h3-9,11,19,21,23-24,30-31,33-34H,10,12H2,1-2H3,(H,27,32)/t19-,21+,23+,24+/m0/s1


name: (5a)-4,5-epoxy-3,14-dihydroxymorphinan-6-one hydrochloride
cas: 52446-24-9
formula: C16H17NO4.ClH
inchikey: QMFVIJMHPXUVOL-RCGDHTHDSA-N
norman_susdat_id: NS00088908
smiles: Cl.Oc1ccc2C[C@H]3NCC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O
inchi:
InChI=1/C16H17NO4.ClH/c18-9-2-1-8-7-11-16(20)4-3-10(19)14-15(16,5-6-17-11)12(8)13(9)21-14;/h1-2,11,14,17-18,20H,3-7H2;1H


cas: 52450-03-0
dtxsid: DTXSID30200450
formula: C26H27BrClN2O3S2
inchikey: GLLQOQWZQQOWTA-UHFFFAOYSA-N
norman_susdat_id: NS00057524
pubchem_cid: NA
smiles: O=S(=O)([O-])CCC[N+]1=C(C=CC2=CC(Cl)=CC=C21)C=C(C=C3SC4=CC=C(Br)C=C4N3CC)CC
name:
2-[2-[(5-bromo-3-ethyl-3H-benzothiazol-2-ylidene)methyl]but-1-enyl]-6-chloro-1-(3-sulphonatopropyl)quinolinium

inchi:
InChI=1/C26H26BrClN2O3S2/c1-3-18(15-26-29(4-2)24-17-20(27)7-11-25(24)34-26)14-22-9-6-19-16-21(28)8-10-23(19)30(22)12-5-13-35(31,32)33/h6-11,14-17H,3-5,12-13H2,1-2H3


name: N-Acetyl-N-formyl-5-methoxykynurenamine
cas: 52450-38-1
chemspiderid: 149637
dtxsid: DTXSID90200451
formula: C13H16N2O4
inchikey: JYWNYMJKURVPFH-UHFFFAOYSA-N
norman_susdat_id: NS00014780
pubchem_cid: 171161
smiles: CC(=O)NCCC(=O)C1=C(C=CC(=C1)OC)NC=O
inchi:
InChI=1S/C13H16N2O4/c1-9(17)14-6-5-13(18)11-7-10(19-2)3-4-12(11)15-8-16/h3-4,7-8H,5-6H2,1-2H3,(H,14,17)(H,15,16)


name: Terphenyllin
cas: 52452-60-5
chebiid: CHEBI:67537
dtxsid: DTXSID50200452
formula: C20H18O5
inchikey: YNEMPXKRLPZFAX-UHFFFAOYSA-N
norman_susdat_id: NS00097196
smiles: COC1=C(C(=C(C(=C1)C2=CC=C(C=C2)O)OC)O)C3=CC=C(C=C3)O
inchi:
InChI=1S/C20H18O5/c1-24-17-11-16(12-3-7-14(21)8-4-12)20(25-2)19(23)18(17)13-5-9-15(22)10-6-13/h3-11,21-23H,1-2H3


cas: 52455-30-8
formula: C20H16CrN3O10S.Na
inchikey: PBRWJBAYLQPRHX-UHFFFAOYSA-K
norman_susdat_id: NS00089113
smiles: [Na]OS(=O)(=O)c1cc2O[Cr]Oc3ccc4ccccc4c3N=Nc2c5ccc(cc15)N(=O)=O
name:
Sodium triaqua[3-hydroxy-4-[(2-hydroxy-1-naphthyl)azo]-7-nitronaphthalene-1-sulphonato(3-)]chromate(1-)

inchi:
InChI=1/C20H13N3O7S.Cr.Na/c24-16-8-5-11-3-1-2-4-13(11)19(16)21-22-20-14-7-6-12(23(26)27)9-15(14)18(10-17(20)25)31(28,29)30;;/h1-10,24-25H,(H,28,29,30);;/q;+2;+1/p-3/rC20H12N3NaO7S.Cr/c24-31-32(29,30)18-10-17(26)20(14-7-6-12(23(27)28)9-15(14)18)22-21-19-13-4-2-1-3-11(13)5-8-16(19)25;/h1-10,25-26H;/q;+2/p-2


name: Pinazepam
cas: 52463-83-9
chebiid: CHEBI:135315
chemspiderid: 36899
dtxsid: DTXSID3023475
formula: C18H13Cl1N2O1
inchikey: MFZOSKPPVCIFMT-UHFFFAOYSA-N
norman_susdat_id: NS00032511
pubchem_cid: 40391
smiles: Clc1cc2c(cc1)N(CC#C)C(=O)CN=C2c1ccccc1
inchi:
InChI=1S/C18H13ClN2O/c1-2-10-21-16-9-8-14(19)11-15(16)18(20-12-17(21)22)13-6-4-3-5-7-13/h1,3-9,11H,10,12H2


name: Flunarizine
cas: 52468-60-7
chebiid: CHEBI:135652
chemspiderid: 819216
dtxsid: DTXSID6045616
formula: C26H26F2N2
inchikey: SMANXXCATUTDDT-QPJJXVBHSA-N
norman_susdat_id: NS00003460
pubchem_cid: 941361
smiles: Fc1ccc(cc1)C(N1CCN(CC=Cc2ccccc2)CC1)c1ccc(F)cc1
inchi:
InChI=1S/C26H26F2N2/c27-24-12-8-22(9-13-24)26(23-10-14-25(28)15-11-23)30-19-17-29(18-20-30)16-4-7-21-5-2-1-3-6-21/h1-15,26H,16-20H2/b7-4+


cas: 52469-75-7
dtxsid: DTXSID90889760
formula: C32H24N8O11S3
inchikey: YMFBTFNYQCDRAG-UHFFFAOYSA-K
norman_susdat_id: NS00058984
pubchem_cid: 104204
name:
Trisodium 5-amino-3-[[4-[[4-[(7-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]phenyl]azo]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate

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

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=C(N)C2=C(O)C(N=NC3=CC=C(N=NC4=CC=C(N=NC=5C(O)=C6C=C(N)C=CC6=CC5S(=O)(=O)[O-])C=C4)C=C3)=C(C=C2C1)S(=O)(=O)[O-]


cas: 52469-76-8
dtxsid: DTXSID8068757
formula: C32H24N8O11S3
inchikey: YBDCRIBGAOBGMN-UHFFFAOYSA-K
norman_susdat_id: NS00057935
pubchem_cid: 104206
name:
Trisodium 5-amino-3-[[4-[[4-[(6-amino-1-hydroxy-3-sulphonato-2-naphthyl)azo]phenyl]azo]phenyl]azo]-4-hydroxynaphthalene-2,7-disulphonate

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

smiles:
[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=C(N)C2=C(O)C(N=NC3=CC=C(N=NC4=CC=C(N=NC=5C(O)=C6C=CC(N)=CC6=CC5S(=O)(=O)[O-])C=C4)C=C3)=C(C=C2C1)S(=O)(=O)[O-]


cas: 52470-07-2
dtxsid: DTXSID30966908
formula: C31H27ClN2O3
inchikey: HAWUKHKOQRPBKD-UHFFFAOYSA-N
norman_susdat_id: NS00057936
pubchem_cid: 103646
smiles: O=C1OC2(C3=CC=C(C=C3OC=4C=C(C(=CC42)NC5=CC=C(Cl)C=C5)C)N(CC)CC)C=6C=CC=CC16
name:
2'-[(4-chlorophenyl)amino]-6'-(diethylamino)-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one

inchi:
InChI=1/C31H27ClN2O3/c1-4-34(5-2)22-14-15-25-29(17-22)36-28-16-19(3)27(33-21-12-10-20(32)11-13-21)18-26(28)31(25)24-9-7-6-8-23(24)30(35)37-31/h6-18,33H,4-5H2,1-3H3


name: N,N'-1,3-Phenylenebis(perfluorobutanamide)
cas: 524726-48-5
dtxsid: DTXSID90897067
formula: C14H6F14N2O2
inchikey: DXAPKYLFBXPQRX-UHFFFAOYSA-N
norman_susdat_id: NS00112211
smiles: FC(F)(F)C(F)(F)C(F)(F)C(=O)NC1=CC(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)=CC=C1
inchi:
InChI=1S/C14H6F14N2O2/c15-9(16,11(19,20)13(23,24)25)7(31)29-5-2-1-3-6(4-5)30-8(32)10(17,18)12(21,22)14(26,27)28/h1-4H,(H,29,31)(H,30,32)


name: N,N'-1,4-Phenylenebis(perfluorobutanamide)
cas: 524726-49-6
dtxsid: DTXSID80897172
formula: C14H6F14N2O2
inchikey: IHIMECRMQYQKJO-UHFFFAOYSA-N
norman_susdat_id: NS00111861
smiles: FC(F)(F)C(F)(F)C(F)(F)C(=O)NC1=CC=C(NC(=O)C(F)(F)C(F)(F)C(F)(F)F)C=C1
inchi:
InChI=1S/C14H6F14N2O2/c15-9(16,11(19,20)13(23,24)25)7(31)29-5-1-2-6(4-3-5)30-8(32)10(17,18)12(21,22)14(26,27)28/h1-4H,(H,29,31)(H,30,32)


cas: 524729-93-9
dtxsid: DTXSID70882799
norman_susdat_id: NS00111329
name:
2-Propenoic acid, polymer with butyl 2-propenoate and 2,5-furandione, γ,.omega.-perfluoroalkyl(C8-14) esters, potassium salts, tert-Bu-benzene carboperoxoate initiated


cas: 52479-58-0
chemspiderid: 57509816
dtxsid: DTXSID10894417
formula: C11H24O4
inchi: InChI=1S/C11H24O4/c1-11(2,9-14-7-3-5-12)10-15-8-4-6-13/h12-13H,3-10H2,1-2H3
inchikey: TXQSSRQPVYENEB-UHFFFAOYSA-N
norman_susdat_id: NS00001454
pubchem_cid: 44144919
smiles: CC(C)(COCCCO)COCCCO
name:
Poly[oxy(methyl-1,2-ethanediyl)], .alpha.,.alpha.'-(2,2-dimethyl-1,3-propanediyl)bis[.omega.-hydroxy-


name: 3-amino-1-(1,3-benzodioxol-5-yl)-1,4,5,6,7,7a-hexahydro-2H-indol-2-one
cas: 52480-74-7
dtxsid: DTXSID60966916
formula: C15H16N2O3
inchikey: DFSVLWDYYFZROH-UHFFFAOYSA-N
norman_susdat_id: NS00057944
pubchem_cid: 103650
smiles: O=C1C(N)=C2CCCCC2N1C3=CC=C4OCOC4=C3
inchi:
InChI=1/C15H16N2O3/c16-14-10-3-1-2-4-11(10)17(15(14)18)9-5-6-12-13(7-9)20-8-19-12/h5-7,11H,1-4,8,16H2


name: Perfluoro(2,5,8,11,14-pentamethyl-3,6,9,12,15-pentaoxaoctadecanoic) acid
cas: 52481-85-3
dtxsid: DTXSID20892444
formula: C18HF35O7
inchikey: ANKSFLDOVZNXOJ-UHFFFAOYSA-N
norman_susdat_id: NS00109645
inchi:
InChI=1/C18HF35O7/c19-2(1(54)55,8(26,27)28)56-15(46,47)4(22,10(32,33)34)58-17(50,51)6(24,12(38,39)40)60-18(52,53)7(25,13(41,42)43)59-16(48,49)5(23,11(35,36)37)57-14(44,45)3(20,21)9(29,30)31/h(H,54,55)

smiles:
OC(=O)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


name: p-nitrophenyl dihydrogen phosphate, compound with cyclohexylamine (1:2)
cas: 52483-84-8
formula: C6H13N.1/2C6H6NO6P
inchikey: KXNNUYCXODNFBD-UHFFFAOYSA-N
norman_susdat_id: NS00089597
smiles: NC1CCCCC1.[O-][N+](=O)c1ccc(OP(O)(=O)O)cc1.NC1CCCCC1
inchi:
InChI=1/C6H6NO6P.2C6H13N/c8-7(9)5-1-3-6(4-2-5)13-14(10,11)12;2*7-6-4-2-1-3-5-6/h1-4H,(H2,10,11,12);2*6H,1-5,7H2


name: Buprenorphine
cas: 52485-79-7
chebiid: CHEBI:3216
chemspiderid: 559124
dtxsid: DTXSID2022705
formula: C29H41N1O4
inchikey: RMRJXGBAOAMLHD-IHFGGWKQSA-N
norman_susdat_id: NS00010425
pubchem_cid: 644073
smiles: C[C@]([C@H]1C[C@@]23CC[C@@]1([C@H]4[C@@]25CC[N@@]([C@@H]3CC6=C5C(=C(C=C6)O)O4)CC7CC7)OC)(C(C)(C)C)O
inchi:
InChI=1S/C29H41NO4/c1-25(2,3)26(4,32)20-15-27-10-11-29(20,33-5)24-28(27)12-13-30(16-17-6-7-17)21(27)14-18-8-9-19(31)23(34-24)22(18)28/h8-9,17,20-21,24,31-32H,6-7,10-16H2,1-5H3/t20-,21-,24-,26+,27-,28+,29-/m1/s1


name: L-3372
cas: 52490-15-0
chebiid: CHEBI:79569
chemspiderid: 87277
dtxsid: DTXSID40200486
formula: C19H18O3
inchikey: ZHGKQUXXASLVQQ-UHFFFAOYSA-N
norman_susdat_id: NS00020832
pubchem_cid: 96670
smiles: CCCCc1c(C(=O)c2ccc(O)cc2)c2c(o1)cccc2
inchi:
InChI=1S/C19H18O3/c1-2-3-7-17-18(15-6-4-5-8-16(15)22-17)19(21)13-9-11-14(20)12-10-13/h4-6,8-12,20H,2-3,7H2,1H3


name: 4-(dodecylamino)-4-oxoisocrotonic acid
cas: 52492-69-0
formula: C16H29NO3
inchikey: OEWYPDFKPCJYMS-SEYXRHQNSA-N
norman_susdat_id: NS00059046
pubchem_cid: 5356956
smiles: O=C(O)C=CC(=O)NCCCCCCCCCCCC
inchi:
InChI=1/C16H29NO3/c1-2-3-4-5-6-7-8-9-10-11-14-17-15(18)12-13-16(19)20/h12-13H,2-11,14H2,1H3,(H,17,18)(H,19,20)


cas: 52495-71-3
formula: C15H26O6
norman_susdat_id: NS00101505
name:
Poly(oxy-1,2-ethanediyl), .alpha.-hydro-.omega.-(oxiranylmethoxy)-, ether with 2-ethyl-2-(hydroxymethyl)-1,3-propanediol (3:1)


name: 2-[(2-hydroxyethyl)octadecylamino]ethyl stearate
cas: 52497-24-2
dtxsid: DTXSID80866267
formula: C40H81NO3
inchikey: KHYNLKWLPONHOE-UHFFFAOYSA-N
norman_susdat_id: NS00057945
pubchem_cid: 104214
smiles: O=C(OCCN(CCO)CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C40H81NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(36-38-42)37-39-44-40(43)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h42H,3-39H2,1-2H3


name: p-Dodecylbenzenesulphonyl chloride
cas: 52499-14-6
chemspiderid: 94083
dtxsid: DTXSID50200492
formula: C18H29Cl1O2S1
inchikey: VLBSKIZWQATQRK-UHFFFAOYSA-N
norman_susdat_id: NS00032517
pubchem_cid: 104215
smiles: CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)Cl
inchi:
InChI=1S/C18H29ClO2S/c1-2-3-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)22(19,20)21/h13-16H,2-12H2,1H3


name: Disodium 3-hydroxy-4-nitrosonaphthalene-2,7-disulphonate
cas: 525-05-3
dtxsid: DTXSID7060172
formula: C10H7NO8S2
inchikey: DMKMTGULLYISBH-UHFFFAOYSA-L
norman_susdat_id: NS00043368
pubchem_cid: 10673
smiles: [Na+].[Na+].O=NC=1C(O)=C(C=C2C=C(C=CC21)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H7NO8S2.2Na/c12-10-8(21(17,18)19)4-5-3-6(20(14,15)16)1-2-7(5)9(10)11-13;;/h1-4,12H,(H,14,15,16)(H,17,18,19);;/q;2*+1/p-2


name: Mercuderamide
cas: 525-30-4
formula: C12H15HgNO6
inchikey: PUSWWQLIFKXNQJ-UHFFFAOYSA-M
norman_susdat_id: NS00080326
smiles: O[Hg]CC(O)CNC(=O)c1ccccc1OCC(=O)O
inchi:
InChI=1/C12H14NO5.Hg.H2O/c1-8(14)6-13-12(17)9-4-2-3-5-10(9)18-7-11(15)16;;/h2-5,8,14H,1,6-7H2,(H,13,17)(H,15,16);;1H2/q;+1;/p-1/rC12H15HgNO6/c15-8(5-13-19)6-14-12(18)9-3-1-2-4-10(9)20-7-11(16)17/h1-4,8,15,19H,5-7H2,(H,14,18)(H,16,17)


name: 2-(3-carboxy-4-hydroxyphenyl)quinoline-4-carboxylic acid
cas: 525-48-4
dtxsid: DTXSID40966939
formula: C17H11NO5
inchikey: KIWASCBIBBHEML-UHFFFAOYSA-N
norman_susdat_id: NS00043369
pubchem_cid: 68234
smiles: O=C(O)C=1C=C(C=CC1O)C2=NC=3C=CC=CC3C(=C2)C(=O)O
inchi:
InChI=1/C17H11NO5/c19-15-6-5-9(7-12(15)17(22)23)14-8-11(16(20)21)10-3-1-2-4-13(10)18-14/h1-8,19H,(H,20,21)(H,22,23)


name: Propranolol
cas: 525-66-6
chebiid: CHEBI:8499
chemspiderid: 4777
dtxsid: DTXSID6023525
formula: C16H21N1O2
inchikey: AQHHHDLHHXJYJD-UHFFFAOYSA-N
norman_susdat_id: NS00000196
pubchem_cid: 4946
smiles: CC(C)NCC(COC1=CC=CC2=CC=CC=C21)O
eea_notation: CAS_525-66-6
inchi:
InChI=1S/C16H21NO2/c1-12(2)17-10-14(18)11-19-16-9-5-7-13-6-3-4-8-15(13)16/h3-9,12,14,17-18H,10-11H2,1-2H3


name: Galipine
cas: 525-68-8
dtxsid: DTXSID00878483
formula: C20H21NO3
inchikey: XYXVQWAPEQXRET-UHFFFAOYSA-N
norman_susdat_id: NS00043409
pubchem_cid: 68235
smiles: N=1C=2C=CC=CC2C(OC)=CC1CCC3=CC=C(OC)C(OC)=C3
inchi:
InChI=1/C20H21NO3/c1-22-18-11-9-14(12-20(18)24-3)8-10-15-13-19(23-2)16-6-4-5-7-17(16)21-15/h4-7,9,11-13H,8,10H2,1-3H3


name: Penicillin X
cas: 525-91-7
chebiid: CHEBI:81065
chemspiderid: 107764
dtxsid: DTXSID20200505
formula: C16H18N2O5S1
inchikey: AZCVBVRUYHKWHU-MBNYWOFBSA-N
norman_susdat_id: NS00011628
pubchem_cid: 120720
smiles: CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)Cc3ccc(cc3)O)C(=O)O)C
inchi:
InChI=1S/C16H18N2O5S/c1-16(2)12(15(22)23)18-13(21)11(14(18)24-16)17-10(20)7-8-3-5-9(19)6-4-8/h3-6,11-12,14,19H,7H2,1-2H3,(H,17,20)(H,22,23)/t11-,12+,14-/m1/s1


name: Penicillin N/Synnematin B
cas: 525-94-0
chebiid: CHEBI:18203
chemspiderid: 64771
formula: C14H21N3O6S1
inchikey: MIFYHUACUWQUKT-GPUHXXMPSA-N
norman_susdat_id: NS00011621
pubchem_cid: 71724
smiles: C[C@]1(S[C@H]2N([C@H]1C(=O)O)C(=O)[C@H]2NC(=O)CCC[C@@H](N)C(=O)O)C
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-/m1/s1


name: Penicillin K
cas: 525-97-3
chebiid: CHEBI:81064
chemspiderid: 16736211
dtxsid: DTXSID80200506
formula: C16H26N2O4S1
inchikey: XVASOOUVMJAZNJ-MBNYWOFBSA-N
norman_susdat_id: NS00011638
pubchem_cid: 12314049
smiles: CCCCCCCC(=O)N[C@H]1[C@@H]2N(C1=O)[C@H](C(S2)(C)C)C(=O)O
inchi:
InChI=1S/C16H26N2O4S/c1-4-5-6-7-8-9-10(19)17-11-13(20)18-12(15(21)22)16(2,3)23-14(11)18/h11-12,14H,4-9H2,1-3H3,(H,17,19)(H,21,22)/t11-,12+,14-/m1/s1


name: Floxacillin
cas: 5250-39-5
chemspiderid: 3247
dtxsid: DTXSID8023056
formula: C19H17Cl1F1N3O5S1
inchikey: UIOFUWFRIANQPC-UHFFFAOYSA-N
norman_susdat_id: NS00001654
pubchem_cid: 3364
smiles: Cc1onc(c1C(=O)NC1C2SC(C)(C)C(N2C1=O)C(O)=O)-c1c(F)cccc1Cl
inchi:
InChI=1S/C19H17ClFN3O5S/c1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24/h4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28)


name: Phosphoric acid, hexadecyl (Z)-9-octadecenyl ester
cas: 52503-41-0
formula: C34H69O4P
inchikey: FNOGGVGDWPDBIN-ZPHPHTNESA-N
norman_susdat_id: NS00057602
pubchem_cid: 6452656
smiles: O=P(O)(OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCCCCCCCCC
inchi:
InChI=1/C34H69O4P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-38-39(35,36)37-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-34H2,1-2H3,(H,35,36)


name: Sodium 2,3:4,6-di-O-isopropylidene-a-L-xylo-2-hexulofuranosonate
cas: 52508-35-7
formula: C12H18O7.Na
inchikey: DEWVPZYHFVYXMZ-QCILGFJPSA-M
norman_susdat_id: NS00089142
smiles: [Na+].CC1(C)OC[C@@H]2O[C@]3(OC(C)(C)O[C@H]3[C@@H]2O1)C(=O)[O-]
inchi:
InChI=1/C12H18O7.Na/c1-10(2)15-5-6-7(17-10)8-12(16-6,9(13)14)19-11(3,4)18-8;/h6-8H,5H2,1-4H3,(H,13,14);/q;+1/p-1


name: (1,3-dioxolan-2-ylmethyl)triphenylphosphonium bromide
cas: 52509-14-5
dtxsid: DTXSID00966950
formula: C22H22O2P
inchikey: FRHRVQQUICVJDG-UHFFFAOYSA-M
norman_susdat_id: NS00057946
pubchem_cid: 2724194
smiles: [Br-].O1CCOC1C[P+](C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C22H22O2P.BrH/c1-4-10-19(11-5-1)25(18-22-23-16-17-24-22,20-12-6-2-7-13-20)21-14-8-3-9-15-21;/h1-15,22H,16-18H2;1H/q+1;/p-1


name: Cloprednol
cas: 5251-34-3
chebiid: CHEBI:135619
chemspiderid: 4447592
dtxsid: DTXSID1022849
formula: C21H25Cl1O5
inchikey: YTJIBEDMAQUYSZ-FDNPDPBUSA-N
norman_susdat_id: NS00005190
pubchem_cid: 5284535
smiles: C[C@]12C[C@H](O)[C@H]3[C@@H](C=C(Cl)C4=CC(=O)C=C[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CO
inchi:
InChI=1S/C21H25ClO5/c1-19-5-3-11(24)7-14(19)15(22)8-12-13-4-6-21(27,17(26)10-23)20(13,2)9-16(25)18(12)19/h3,5,7-8,12-13,16,18,23,25,27H,4,6,9-10H2,1-2H3/t12-,13-,16-,18+,19-,20-,21-/m0/s1


name: Benzyldimethyl[3-[(1-oxododecyl)amino]propyl]ammonium chloride
cas: 52513-11-8
dtxsid: DTXSID80886006
formula: C24H43N2O
inchikey: JOMDPISNBYPGIK-UHFFFAOYSA-N
norman_susdat_id: NS00057985
pubchem_cid: 104221
smiles: [Cl-].O=C(NCCC[N+](C)(C)CC=1C=CC=CC1)CCCCCCCCCCC
inchi:
InChI=1/C24H42N2O.ClH/c1-4-5-6-7-8-9-10-11-15-19-24(27)25-20-16-21-26(2,3)22-23-17-13-12-14-18-23;/h12-14,17-18H,4-11,15-16,19-22H2,1-3H3;1H


name: Oleoyltaurine
cas: 52514-04-2
chebiid: CHEBI:146206
formula: C20H39NO4S
inchikey: KOGRJTUIKPMZEJ-KTKRTIGZSA-N
norman_susdat_id: NS00089158
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)NCCS(=O)(=O)O
inchi:
InChI=1/C20H39NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26(23,24)25/h9-10H,2-8,11-19H2,1H3,(H,21,22)(H,23,24,25)


name: 4-nitrobenzoate 2,3,5-tris-O-benzyl-D-arabinofuranose
cas: 52522-49-3
dtxsid: DTXSID80966958
formula: C33H32NO8
inchikey: VBDBDZHLJKDSSB-UFRUDBOASA-N
norman_susdat_id: NS00057986
pubchem_cid: 97076
smiles: O=C(OC1OC(COCC=2C=CC=CC2)C(OCC=3C=CC=CC3)C1OCC=4C=CC=CC4)C5=CC=C(C=C5)[N+](=O)[O-]
inchi:
InChI=1/C33H31NO8/c35-32(27-16-18-28(19-17-27)34(36)37)42-33-31(40-22-26-14-8-3-9-15-26)30(39-21-25-12-6-2-7-13-25)29(41-33)23-38-20-24-10-4-1-5-11-24/h1-19,29-31,33H,20-23H2


name: 2-Naphthalenecarboxamide, N-[2-[2-(acetylamino)phenyl]ethyl]-1-hydroxy-
cas: 5254-41-1
chemspiderid: 20043
dtxsid: DTXSID9063742
formula: C21H20N2O3
inchikey: HNLJTZUJURZMTN-UHFFFAOYSA-N
norman_susdat_id: NS00032523
pubchem_cid: 21325
smiles: CC(=O)Nc1c(CCNC(=O)c2ccc3ccccc3c2O)cccc1
inchi:
InChI=1S/C21H20N2O3/c1-14(24)23-19-9-5-3-7-16(19)12-13-22-21(26)18-11-10-15-6-2-4-8-17(15)20(18)25/h2-11,25H,12-13H2,1H3,(H,22,26)(H,23,24)


name: Pranoprofen
cas: 52549-17-4
chebiid: CHEBI:32040
chemspiderid: 4719
dtxsid: DTXSID1023497
formula: C15H13N1O3
inchikey: TVQZAMVBTVNYLA-UHFFFAOYSA-N
norman_susdat_id: NS00009807
pubchem_cid: 4888
smiles: CC(C(O)=O)c1ccc2Oc3ncccc3Cc2c1
inchi:
InChI=1S/C15H13NO3/c1-9(15(17)18)10-4-5-13-12(7-10)8-11-3-2-6-16-14(11)19-13/h2-7,9H,8H2,1H3,(H,17,18)


name: Acetamide, N-[5-[bis(2-methoxyethyl)amino]-2-[(2-cyano-4-nitrophenyl)azo]phenyl]-
cas: 52549-57-2
chemspiderid: 94100
dtxsid: DTXSID7068764
formula: C21H24N6O5
inchikey: DMMDCPMHDXAIRV-UHFFFAOYSA-N
norman_susdat_id: NS00032526
pubchem_cid: 104232
smiles: COCCN(CCOC)c1cc(NC(=O)C)c(cc1)N=Nc1c(cc(cc1)[N+](=O)[O-])C#N
inchi:
InChI=1S/C21H24N6O5/c1-15(28)23-21-13-17(26(8-10-31-2)9-11-32-3)4-7-20(21)25-24-19-6-5-18(27(29)30)12-16(19)14-22/h4-7,12-13H,8-11H2,1-3H3,(H,23,28)


name: 4-[(2-chlorophenyl)azo]-3-hydroxy-2-naphthoic acid
cas: 52549-90-3
formula: C17H11ClN2O3
inchikey: PWNKEFHOLISQSS-UHFFFAOYSA-N
norman_susdat_id: NS00058037
pubchem_cid: 104233
smiles: O=C(O)C1=CC=2C=CC=CC2C(N=NC=3C=CC=CC3Cl)=C1O
inchi:
InChI=1/C17H11ClN2O3/c18-13-7-3-4-8-14(13)19-20-15-11-6-2-1-5-10(11)9-12(16(15)21)17(22)23/h1-9,21H,(H,22,23)


name: Poly(oxy-1,2-ethanediyl), .alpha.-[2-[[(perfluorooctyl)sulfonyl]propylamino]ethyl]-.omega.-hydroxy-
cas: 52550-45-5
chemspiderid: 149645
dtxsid: DTXSID50880455
formula: C15H16F17N1O4S1
inchikey: DTIJQLFRKLLKHX-UHFFFAOYSA-N
norman_susdat_id: NS00019114
pubchem_cid: 171169
smiles: CCCN(CCOCCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C15H16F17NO4S/c1-2-3-33(4-6-37-7-5-34)38(35,36)15(31,32)13(26,27)11(22,23)9(18,19)8(16,17)10(20,21)12(24,25)14(28,29)30/h34H,2-7H2,1H3


name: D-glucitol tetraoleate
cas: 52551-46-9
formula: C78H142O10
inchikey: JKLYYAZFORVFMK-HRCGDSDKSA-N
norman_susdat_id: NS00058038
pubchem_cid: 85470753
inchi:
InChI=1/C78H142O10/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-73(81)85-70-72(86-74(82)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2)78(88-76(84)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)77(71(80)69-79)87-75(83)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3/h33-40,71-72,77-80H,5-32,41-70H2,1-4H3

smiles:
O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)C(OC(=O)CCCCCCCC=CCCCCCCCC)C(OC(=O)CCCCCCCC=CCCCCCCCC)C(O)CO)CCCCCCCC=CCCCCCCCC


name: Dimethyl[3-[(1-oxododecyl)amino]propyl][3-sulphopropyl]ammonium hydroxide
cas: 52562-28-4
dtxsid: DTXSID20200545
formula: C20H43N2O4S
inchikey: AGNFIQXXAJFIDJ-UHFFFAOYSA-N
norman_susdat_id: NS00059099
pubchem_cid: 104235
smiles: [OH-].O=C(NCCC[N+](C)(C)CCCS(=O)(=O)O)CCCCCCCCCCC
inchi:
InChI=1/C20H42N2O4S.H2O/c1-4-5-6-7-8-9-10-11-12-15-20(23)21-16-13-17-22(2,3)18-14-19-27(24,25)26;/h4-19H2,1-3H3,(H-,21,23,24,25,26);1H2


name: Naproanilide
cas: 52570-16-8
chemspiderid: 36918
dtxsid: DTXSID8058118
formula: C19H17N1O2
inchikey: LVKTWOXHRYGDMM-UHFFFAOYNA-N
norman_susdat_id: NS00022294
pubchem_cid: NA
smiles: CC(Oc1cc2ccccc2cc1)C(=O)Nc1ccccc1
inchi:
InChI=1S/C19H17NO2/c1-14(19(21)20-17-9-3-2-4-10-17)22-18-12-11-15-7-5-6-8-16(15)13-18/h2-14H,1H3,(H,20,21)/t14-/m0/s1


name: 3-Nitrophenyl alpha-D-galactopyranoside
cas: 52571-71-8
dtxsid: DTXSID70332183
formula: C12H15NO8
inchikey: VCCMGHVCRFMITI-IIRVCBMXSA-N
norman_susdat_id: NS00070283
pubchem_cid: 445328
smiles: O=[N+]([O-])c1cccc(O[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)c1
inchi:
InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-2-6(4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12+/m1/s1


name: 3-methyl-4-(pyrrolidin-1-yl)benzenediazonium trichlorozincate
cas: 52572-38-0
formula: C11H14N3.Cl3Zn
inchikey: ZGNCICICEFKVNL-UHFFFAOYSA-K
norman_susdat_id: NS00089190
smiles: Cc1cc(ccc1N2CCCC2)[N+]#N.Cl[Zn-](Cl)Cl
inchi:
InChI=1/C11H14N3.3ClH.Zn/c1-9-8-10(13-12)4-5-11(9)14-6-2-3-7-14;;;;/h4-5,8H,2-3,6-7H2,1H3;3*1H;/q+1;;;;+2/p-3/rC11H14N3.Cl3Zn/c1-9-8-10(13-12)4-5-11(9)14-6-2-3-7-14;1-4(2)3/h4-5,8H,2-3,6-7H2,1H3;/q+1;-1


name: 9,10-Anthracenedione, 1-amino-5-hydroxy-4-[(4-methoxyphenyl)amino]-8-nitro-
cas: 52576-59-7
chemspiderid: 4588581
dtxsid: DTXSID7068768
formula: C21H15N3O6
inchikey: ZMADRZYRRIKVJV-UHFFFAOYSA-N
norman_susdat_id: NS00032531
pubchem_cid: 101533477
smiles: COc1ccc(Nc2c3C(=O)c4c(C(=O)c3c(N)cc2)c(ccc4O)[N+](=O)[O-])cc1
inchi:
InChI=1S/C21H15N3O6/c1-30-11-4-2-10(3-5-11)23-13-7-6-12(22)16-17(13)21(27)19-15(25)9-8-14(24(28)29)18(19)20(16)26/h2-9,23,25H,22H2,1H3


name: PPG-10 OLEYL ETHER
cas: 52581-71-2
chemspiderid: 4941626
formula: C21H42O2
inchikey: RHEFZZHALQVVFD-KTKRTIGZSA-N
norman_susdat_id: NS00014003
pubchem_cid: 6437034
smiles: CCCCCCCCC=C/CCCCCCCCOCCCO
inchi:
InChI=1S/C21H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-23-21-18-19-22/h9-10,22H,2-8,11-21H2,1H3/b10-9-


name: N-[2-[(2,6-dibromo-4-nitrophenyl)azo]-5-(diethylamino)phenyl]acetamide
cas: 52583-53-6
formula: C18H20Br2N5O3
inchikey: IXGHTHFLINQRFX-UHFFFAOYSA-N
norman_susdat_id: NS00059100
pubchem_cid: 104243
smiles: O=C(NC1=CC(=CC=C1N=NC2=C(Br)C=C(C=C2Br)[N+](=O)[O-])N(CC)CC)C
inchi:
InChI=1/C18H19Br2N5O3/c1-4-24(5-2)12-6-7-16(17(10-12)21-11(3)26)22-23-18-14(19)8-13(25(27)28)9-15(18)20/h6-10H,4-5H2,1-3H3,(H,21,26)


name: N-[2-[(2-cyano-4-nitrophenyl)azo]-5-(diethylamino)phenyl]acetamide
cas: 52583-54-7
formula: C19H21N6O3
inchikey: UZZRIEWLRMPYRP-UHFFFAOYSA-N
norman_susdat_id: NS00058017
pubchem_cid: 21117902
smiles: N#CC1=CC(=CC=C1N=NC2=CC=C(C=C2NC(=O)C)N(CC)CC)[N+](=O)[O-]
inchi:
InChI=1/C19H20N6O3/c1-4-24(5-2)15-6-9-18(19(11-15)21-13(3)26)23-22-17-8-7-16(25(27)28)10-14(17)12-20/h6-11H,4-5H2,1-3H3,(H,21,26)


