# cl_id

cas: 20262-58-2
dtxsid: DTXSID5066586
formula: C20H19N3O11S3
inchikey: DHHGSXPASZBLGC-UHFFFAOYSA-L
norman_susdat_id: NS00052043
pubchem_cid: 30083
smiles: [Na+].[Na+].O=C(NC1=CC=C2C=C(C(N=NC3=CC=C(C=C3)S(=O)(=O)CCOS(=O)(=O)[O-])=C(O)C2=C1)S(=O)(=O)[O-])C
name:
Disodium 6-acetamido-4-hydroxy-3-[[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2-sulphonate

inchi:
InChI=1/C20H19N3O11S3.2Na/c1-12(24)21-15-3-2-13-10-18(36(28,29)30)19(20(25)17(13)11-15)23-22-14-4-6-16(7-5-14)35(26,27)9-8-34-37(31,32)33;;/h2-7,10-11,25H,8-9H2,1H3,(H,21,24)(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2


cas: 20262-76-4
chemspiderid: 8091973
dtxsid: DTXSID50942380
formula: C27H33N2O7S2
inchikey: PMLFOMWMYRKZRF-UHFFFAOYSA-M
norman_susdat_id: NS00019459
pubchem_cid: NA
smiles: [Na+].CCN(CC)c1ccc(cc1)C(=C1C=CC(=[N+](CC)CC)C=C1)c1cc(O)c(cc1S(=O)(=O)[O-])S(=O)(=O)[O-]
name:
Sodium 4-{[4-(diethylamino)phenyl][4-(diethyliminio)cyclohexa-2,5-dien-1-ylidene]methyl}-3-[hydroxy(oxido)oxo-lambda~6~-sulfanylidene]-6-oxocyclohexa-1,4-diene-1-sulfonate

inchi:
InChI=1S/C27H32N2O7S2/c1-5-28(6-2)21-13-9-19(10-14-21)27(20-11-15-22(16-12-20)29(7-3)8-4)23-17-24(30)26(38(34,35)36)18-25(23)37(31,32)33/h9-18H,5-8H2,1-4H3,(H2-,30,31,32,33,34,35,36)/p+1


name: Dinonyl phenyl phosphite
cas: 20267-15-6
dtxsid: DTXSID80174112
formula: C24H43O3P
inchikey: IMUKAHJVORJFEM-UHFFFAOYSA-N
norman_susdat_id: NS00052044
pubchem_cid: 88441
smiles: O(C=1C=CC=CC1)P(OCCCCCCCCC)OCCCCCCCCC
inchi:
InChI=1/C24H43O3P/c1-3-5-7-9-11-13-18-22-25-28(27-24-20-16-15-17-21-24)26-23-19-14-12-10-8-6-4-2/h15-17,20-21H,3-14,18-19,22-23H2,1-2H3


name: 9-octadecenoic acid
cas: 2027-47-6
chebiid: CHEBI:36021
formula: C18H34O2
inchikey: ZQPPMHVWECSIRJ-UHFFFAOYSA-N
norman_susdat_id: NS00081299
smiles: OC(=O)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)


name: Bis(3,5,5-trimethylhexyl) adipate
cas: 20270-50-2
dtxsid: DTXSID90942389
formula: C24H46O4
inchikey: ISQGOXKDLGVOKQ-UHFFFAOYSA-N
norman_susdat_id: NS00051240
pubchem_cid: 89301
smiles: O=C(OCCC(C)CC(C)(C)C)CCCCC(=O)OCCC(C)CC(C)(C)C
inchi:
InChI=1/C24H46O4/c1-19(17-23(3,4)5)13-15-27-21(25)11-9-10-12-22(26)28-16-14-20(2)18-24(6,7)8/h19-20H,9-18H2,1-8H3


name: 3ß-hydroxypregna-1,4-dien-20-one
cas: 20272-84-8
dtxsid: DTXSID20942392
formula: C21H30O2
inchikey: SEQJJASTRQIGNI-QGVNFLHTSA-N
norman_susdat_id: NS00051256
pubchem_cid: 21116467
smiles: O=C(C)C1CCC2C3CCC4=CC(O)C=CC4(C)C3CCC12C
inchi:
InChI=1/C21H30O2/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/h8,10,12,15-19,23H,4-7,9,11H2,1-3H3


name: (1,1'-Bicyclohexyl)-4-ylbenzene
cas: 20273-27-2
chemspiderid: 27949
dtxsid: DTXSID40174118
formula: C18H26
inchikey: MRGBGAHKAGKZID-UHFFFAOYSA-N
norman_susdat_id: NS00026565
pubchem_cid: 30088
smiles: C1CCC(CC1)C1CCC(CC1)c1ccccc1
inchi:
InChI=1S/C18H26/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1,3-4,7-8,16-18H,2,5-6,9-14H2/t17-,18-


name: Decanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-9-methyl-
cas: 20279-06-5
chebiid: CHEBI:174344
chemspiderid: 2341417
dtxsid: DTXSID30174127
formula: C19H31NO3
inchikey: AKDLSISGGARWFP-UHFFFAOYSA-N
norman_susdat_id: NS00094666
pubchem_cid: 3084336
smiles: COC1=C(O)C=CC(CNC(=O)CCCCCCCC(C)C)=C1
inchi:
InChI=1S/C19H31NO3/c1-15(2)9-7-5-4-6-8-10-19(22)20-14-16-11-12-17(21)18(13-16)23-3/h11-13,15,21H,4-10,14H2,1-3H3,(H,20,22)


name: ROSMARINIC ACID
cas: 20283-92-5
chebiid: CHEBI:17226
chemspiderid: 4474888
formula: C18H16O8
inchikey: DOUMFZQKYFQNTF-ZZXKWVIFSA-N
norman_susdat_id: NS00014042
pubchem_cid: 5315615
smiles: OC(=O)[C@@H](Cc1ccc(O)c(O)c1)OC(=O)/C=C/c2ccc(O)c(O)c2
inchi:
InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1


name: Sodium p-cymene-5-hydroxy-2-sulphonate
cas: 20285-16-9
formula: C10H14O4S.Na
inchikey: LYEYFCJGNCQFAY-UHFFFAOYSA-M
norman_susdat_id: NS00084673
smiles: CC(C)c1cc(c(C)cc1O)S(=O)(=O)O[Na]
inchi:
InChI=1/C10H14O4S.Na/c1-6(2)8-5-10(15(12,13)14)7(3)4-9(8)11;/h4-6,11H,1-3H3,(H,12,13,14);/q;+1/p-1/rC10H13NaO4S/c1-6(2)8-5-10(16(13,14)15-11)7(3)4-9(8)12/h4-6,12H,1-3H3


name: 3-[[(1-hydroxy-2-naphthyl)carbonyl]amino]-4-(methyloctadecylamino)benzoic acid
cas: 20285-77-2
dtxsid: DTXSID50942421
formula: C37H52N2O4
inchikey: NZRIXKUVUIVTFM-UHFFFAOYSA-N
norman_susdat_id: NS00051268
pubchem_cid: 21116398
smiles: O=C(O)C1=CC=C(C(=C1)NC(=O)C=2C=CC=3C=CC=CC3C2O)N(C)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C37H52N2O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-39(2)34-26-24-30(37(42)43)28-33(34)38-36(41)32-25-23-29-21-18-19-22-31(29)35(32)40/h18-19,21-26,28,40H,3-17,20,27H2,1-2H3,(H,38,41)(H,42,43)


name: Fenquizone
cas: 20287-37-0
chebiid: CHEBI:135435
formula: C14H12ClN3O3S
inchikey: DBDTUXMDTSTPQZ-UHFFFAOYSA-N
norman_susdat_id: NS00052047
pubchem_cid: 68548
smiles: O=C1NC(NC2=CC(Cl)=C(C=C12)S(=O)(=O)N)C=3C=CC=CC3
inchi:
InChI=1/C14H12ClN3O3S/c15-10-7-11-9(6-12(10)22(16,20)21)14(19)18-13(17-11)8-4-2-1-3-5-8/h1-7,13,17H,(H,18,19)(H2,16,20,21)


cas: 202875-75-0
dtxsid: DTXSID30882755
norman_susdat_id: NS00109960
name:
2-Propenoic acid, esters, 2-methyl-, .gamma.-.omega.-perfluoro-C6-16-alkyl esters, polymers with 1-(3,4-dichlorophenyl)-1H-pyrrole-2,5-dione and sodium 4-ethenylbenzenesulfonate (1:1)


name: Morphine-3-glucuronide
cas: 20290-09-9
chebiid: CHEBI:80631
chemspiderid: 4588593
dtxsid: DTXSID80174157
formula: C23H27N1O9
inchikey: WAEXKFONHRHFBZ-ZXDZBKESSA-N
norman_susdat_id: NS00007611
pubchem_cid: 5484731
inchi:
InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-4-12(25)20(23)32-18-13(5-2-9(14(18)23)8-11(10)24)31-22-17(28)15(26)16(27)19(33-22)21(29)30/h2-5,10-12,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,12-,15-,16-,17+,19-,20-,22+,23-/m0/s1

smiles:
CN1CC[C@@]23[C@H]4Oc5c2c(C[C@@H]1[C@@H]3C=C[C@@H]4O)ccc5O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O


name: Morphine glucuronide
cas: 20290-10-2
chebiid: CHEBI:80581
chemspiderid: 4514548
dtxsid: DTXSID40174158
formula: C23H27N1O9
inchikey: GNJCUHZOSOYIEC-GAROZEBRSA-N
norman_susdat_id: NS00010465
pubchem_cid: 5360621
inchi:
InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2-5,10-11,13,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,13-,15-,16-,17+,19-,20-,22+,23-/m0/s1

smiles:
CN1CC[C@]23c4c5ccc(c4O[C@H]2[C@H](C=C[C@H]3[C@H]1C5)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O)O)O)O


name: Stearidonic Acid
cas: 20290-75-9
chebiid: CHEBI:32389
chemspiderid: 4471933
formula: C18H28O2
inchikey: JIWBIWFOSCKQMA-LTKCOYKYSA-N
norman_susdat_id: NS00010575
pubchem_cid: 5312508
smiles: C(C=C/CC)C=C/CC=C/CC=C/CCCCC(=O)O
inchi:
InChI=1S/C18H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10,12-13H,2,5,8,11,14-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-,13-12-


name: 9-Octadecenoic acid (9Z)-, hexyl ester
cas: 20290-84-0
chemspiderid: 79818
dtxsid: DTXSID9066590
formula: C24H46O2
inchikey: FIENEGBWDWHXGG-UHFFFAOYSA-N
norman_susdat_id: NS00021820
pubchem_cid: 88466
smiles: CCCCCCCC/C=CCCCCCCCC(=O)OCCCCCC
inchi:
InChI=1S/C24H46O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24(25)26-23-21-8-6-4-2/h13-14H,3-12,15-23H2,1-2H3/b14-13-


name: 3,6,9,12-Tetraoxatetracosan-1-ol, hydrogen phosphate
cas: 20297-05-6
chemspiderid: 79830
dtxsid: DTXSID4066593
formula: C40H83O12P1
inchikey: NRPWCKZJQUDHFY-UHFFFAOYSA-N
norman_susdat_id: NS00013817
pubchem_cid: 88479
smiles: CCCCCCCCCCCCOCCOCCOCCOCCO[P](O)(=O)OCCOCCOCCOCCOCCCCCCCCCCCC
inchi:
InChI=1S/C40H83O12P/c1-3-5-7-9-11-13-15-17-19-21-23-43-25-27-45-29-31-47-33-35-49-37-39-51-53(41,42)52-40-38-50-36-34-48-32-30-46-28-26-44-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3,(H,41,42)


cas: 20298-05-9
formula: C22H20N4O13S4.3Na
inchikey: LREIRMMFYVWEAF-UHFFFAOYSA-K
norman_susdat_id: NS00084440
name:
Trisodium 2-[[4,5-dihydro-3-methyl-5-oxo-1-[4-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]-1H-pyrazol-4-yl]azo]naphthalene-1,5-disulphonate

inchi:
InChI=1/C22H20N4O13S4.3Na/c1-13-20(22(27)26(25-13)14-5-7-15(8-6-14)40(28,29)12-11-39-43(36,37)38)24-23-18-10-9-16-17(21(18)42(33,34)35)3-2-4-19(16)41(30,31)32;;;/h2-10,20H,11-12H2,1H3,(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3

smiles:
[Na+].[Na+].[Na+].[O-]S(=O)(=O)OCCS(=O)(=O)c1ccc(cc1)N4/N=C(/C)C(N=Nc3ccc2c(cccc2c3S([O-])(=O)=O)S([O-])(=O)=O)C4=O


name: Diacenaphtho[1,2-b:1',2'-d]thiophene
cas: 203-42-9
dtxsid: DTXSID10174185
formula: C24H12S
inchikey: RSYZJSLQEJIVSN-UHFFFAOYSA-N
norman_susdat_id: NS00041481
pubchem_cid: 221040
smiles: S1C=2C=3C=CC=C4C=CC=C(C43)C2C5=C1C=6C=CC=C7C=CC=C5C76
inchi:
InChI=1/C24H12S/c1-5-13-7-3-11-17-19(13)15(9-1)21-22-16-10-2-6-14-8-4-12-18(20(14)16)24(22)25-23(17)21/h1-12H


name: Clofazimine
cas: 2030-63-9
chemspiderid: 2692
dtxsid: DTXSID7022839
formula: C27H22Cl2N4
inchikey: WDQPAMHFFCXSNU-BGABXYSRSA-N
norman_susdat_id: NS00011720
pubchem_cid: NA
smiles: CC(C)/N=c/1cc-2n(c3ccccc3nc2cc1Nc4ccc(cc4)Cl)c5ccc(cc5)Cl
inchi:
InChI=1S/C27H22Cl2N4/c1-17(2)30-24-16-27-25(15-23(24)31-20-11-7-18(28)8-12-20)32-22-5-3-4-6-26(22)33(27)21-13-9-19(29)10-14-21/h3-17,31H,1-2H3/b30-24+


name: Deglucohellebrin
cas: 20300-44-1
chemspiderid: 44584382
formula: C30H42O10
inchikey: HNNFRQFXBWSJBX-MTUTWWBMSA-N
norman_susdat_id: NS00093777
pubchem_cid: 24685984
smiles:
C[C@H]1[C@@H]([C@H]([C@H]([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=COC(=O)C=C6)C)C=O)O)O)O


name: Calactin
cas: 20304-47-6
chebiid: CHEBI:3299
chemspiderid: 390425
dtxsid: DTXSID80174192
formula: C29H40O9
inchikey: OWPWFVVPBYFKBG-SXDHXEJRSA-N
norman_susdat_id: NS00094797
pubchem_cid: 441849
inchi:
InChI=1S/C29H40O9/c1-15-9-23(31)29(34)25(36-15)37-21-11-17-3-4-20-19(27(17,14-30)12-22(21)38-29)5-7-26(2)18(6-8-28(20,26)33)16-10-24(32)35-13-16/h10,14-15,17-23,25,31,33-34H,3-9,11-13H2,1-2H3/t15-,17+,18-,19+,20-,21-,22-,23-,25+,26-,27-,28+,29+/m1/s1

smiles:
C[C@@H]1C[C@@H](O)[C@]2(O)O[C@@H]3C[C@@]4(C=O)[C@@H](CC[C@@H]5[C@@H]4CC[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C[C@H]3O[C@@H]2O1


cas: 20311-51-7
chebiid: CHEBI:9185
dtxsid: DTXSID00942456
formula: C45H73NO15
inchikey: MBWUSSKCCUMJHO-ZGXDEBHDSA-N
norman_susdat_id: NS00073646
pubchem_cid: 73611
name:
2-{[4-hydroxy-6-(hydroxymethyl)-2-{5',7,9,13-tetramethyl-5-oxaspiro[pentacyclo[10.8.0.0²,?.0?,?.0¹³,¹?]icosane-6,2'-piperidin]-18-eneoxy}-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-3-yl]oxy}-6-methyloxane-3,4,5-triol

inchi:
InChI=1S/C45H73NO15/c1-19-9-14-45(46-17-19)20(2)30-28(61-45)16-27-25-8-7-23-15-24(10-12-43(23,5)26(25)11-13-44(27,30)6)57-42-39(60-41-36(53)34(51)32(49)22(4)56-41)37(54)38(29(18-47)58-42)59-40-35(52)33(50)31(48)21(3)55-40/h7,19-22,24-42,46-54H,8-18H2,1-6H3/t19-,20+,21+,22+,24+,25-,26+,27+,28+,29-,30+,31+,32+,33-,34-,35-,36-,37+,38-,39-,40+,41+,42-,43+,44+,45-/m1/s1

smiles:
C[C@@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)[C@H](O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6C[C@@H]7O[C@]8(CC[C@@H](C)CN8)[C@@H](C)[C@@H]7[C@@]6(C)CC[C@@H]54)C3)O[C@@H]2CO)[C@H](O)[C@H](O)[C@H]1O


name: 2,8,10-Heptadecatriene-4,6-diyne-1,14-diol
cas: 20311-78-8
chebiid: CHEBI:144406
dtxsid: DTXSID60897236
formula: C17H22O2
inchikey: UPXPHJXYZGEBCW-SRFVWEJJSA-N
norman_susdat_id: NS00075493
smiles: CCC[C@@H](O)CCC=CC=CC#CC#CC=CCO
inchi:
InChI=1S/C17H22O2/c1-2-14-17(19)15-12-10-8-6-4-3-5-7-9-11-13-16-18/h4,6,8,10-11,13,17-19H,2,12,14-16H2,1H3/b6-4+,10-8+,13-11+/t17-/m1/s1


name: Laninamivir
cas: 203120-17-6
dtxsid: DTXSID60942457
formula: C13H22N4O7
inchikey: QNRRHYPPQFELSF-CNYIRLTGSA-N
norman_susdat_id: NS00069718
pubchem_cid: 502272
smiles: CO[C@H]([C@H](O)CO)[C@@H]1OC(C(=O)O)=C[C@H](NC(=N)N)[C@H]1NC(C)=O
inchi:
InChI=1S/C13H22N4O7/c1-5(19)16-9-6(17-13(14)15)3-8(12(21)22)24-11(9)10(23-2)7(20)4-18/h3,6-7,9-11,18,20H,4H2,1-2H3,(H,16,19)(H,21,22)(H4,14,15,17)/t6-,7+,9+,10+,11+/m0/s1


name: Inavir
cas: 203120-46-1
chebiid: CHEBI:134741
formula: C21H36N4O8
inchikey: UKTIJASCFRNWCB-RMIBSVFLSA-N
norman_susdat_id: NS00071052
pubchem_cid: 9847629
smiles: CCCCCCCC(=O)OC[C@@H](O)[C@@H](OC)[C@@H]1OC(C(=O)O)=C[C@H](NC(=N)N)[C@H]1NC(C)=O
inchi:
InChI=1S/C21H36N4O8/c1-4-5-6-7-8-9-16(28)32-11-14(27)18(31-3)19-17(24-12(2)26)13(25-21(22)23)10-15(33-19)20(29)30/h10,13-14,17-19,27H,4-9,11H2,1-3H3,(H,24,26)(H,29,30)(H4,22,23,25)/t13-,14+,17+,18+,19+/m0/s1


name: Tiliroside
cas: 20316-62-5
chebiid: CHEBI:80944
formula: C30H26O13
inchikey: DVGGLGXQSFURLP-VWMSDXGPSA-N
norman_susdat_id: NS00097257
inchi:
InChI=1S/C30H26O13/c31-16-6-1-14(2-7-16)3-10-22(35)40-13-21-24(36)26(38)27(39)30(42-21)43-29-25(37)23-19(34)11-18(33)12-20(23)41-28(29)15-4-8-17(32)9-5-15/h1-12,21,24,26-27,30-34,36,38-39H,13H2/b10-3+/t21-,24-,26+,27-,30+/m1/s1

smiles:
C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(OC4=CC(=CC(=C4C3=O)O)O)C5=CC=C(C=C5)O)O)O)O)O


name: alpha-Solamarine
cas: 20318-30-3
chebiid: CHEBI:172847
chemspiderid: 32697914
dtxsid: DTXSID90174204
formula: C45H73NO16
inchikey: QCTMYNGDIBTNSK-AQZQQWEISA-N
norman_susdat_id: NS00094836
pubchem_cid: 70680623
inchi:
InChI=1S/C45H73NO16/c1-19-8-13-45(46-16-19)20(2)30-27(62-45)15-26-24-7-6-22-14-23(9-11-43(22,4)25(24)10-12-44(26,30)5)57-42-39(61-40-36(54)34(52)31(49)21(3)56-40)38(33(51)29(18-48)59-42)60-41-37(55)35(53)32(50)28(17-47)58-41/h6,19-21,23-42,46-55H,7-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27-,28+,29+,30-,31-,32+,33-,34+,35-,36+,37+,38-,39+,40-,41-,42+,43-,44-,45-/m0/s1

smiles:
C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@H](CC[C@]5(C)[C@H]4CC[C@]23C)O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@@H](C)[C@H](O)[C@@H](O)[C@H]2O)O[C@@]11CC[C@H](C)CN1


name: N2-acetyl-N2-(4-dodecylphenyl)-N-(4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)-L-asparagine
cas: 20318-58-5
dtxsid: DTXSID00942471
formula: C33H44N4O5
inchikey: DLNZZJTWMYDVBS-LJAQVGFWSA-N
norman_susdat_id: NS00052106
pubchem_cid: 89318
smiles: O=C(O)C(N(C(=O)C)C1=CC=C(C=C1)CCCCCCCCCCCC)CC(=O)NC2=NN(C(=O)C2)C=3C=CC=CC3
inchi:
InChI=1/C33H44N4O5/c1-3-4-5-6-7-8-9-10-11-13-16-26-19-21-27(22-20-26)36(25(2)38)29(33(41)42)23-31(39)34-30-24-32(40)37(35-30)28-17-14-12-15-18-28/h12,14-15,17-22,29H,3-11,13,16,23-24H2,1-2H3,(H,41,42)(H,34,35,39)


name: Recoflavone
cas: 203191-10-0
dtxsid: DTXSID50174205
formula: C20H18O8
inchikey: BCPQOBQIVJZOFL-UHFFFAOYSA-N
norman_susdat_id: NS00068491
pubchem_cid: 9952125
smiles: COc1ccc(-c2cc(=O)c3c(OC)cc(OCC(=O)O)cc3o2)cc1OC
inchi:
InChI=1S/C20H18O8/c1-24-14-5-4-11(6-16(14)25-2)15-9-13(21)20-17(26-3)7-12(8-18(20)28-15)27-10-19(22)23/h4-9H,10H2,1-3H3,(H,22,23)


name: 2,4-Imidazolidinedithione, 5,5-diphenyl-
cas: 2032-13-5
chemspiderid: 2297402
dtxsid: DTXSID10174206
formula: C15H12N2S2
inchikey: IPDQDGCZABYZKF-UHFFFAOYSA-N
norman_susdat_id: NS00113843
pubchem_cid: 16242
smiles: S=C1NC(=S)C(N1)(C1=CC=CC=C1)C1=CC=CC=C1
inchi:
InChI=1S/C15H12N2S2/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)


name: N'-[(2Z)-5,5,6,6,7,7,7-Heptafluoro-4-oxohept-2-en-2-yl]benzohydrazide
cas: 203200-76-4
dtxsid: DTXSID90896191
formula: C14H11F7N2O2
inchikey: CBPLYQHOYNDADX-FPLPWBNLSA-N
norman_susdat_id: NS00112148
smiles: CC(NNC(=O)c1ccccc1)=CC(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14H11F7N2O2/c1-8(22-23-11(25)9-5-3-2-4-6-9)7-10(24)12(15,16)13(17,18)14(19,20)21/h2-7,22H,1H3,(H,23,25)/b8-7-


cas: 203200-82-2
dtxsid: DTXSID10896239
formula: C19H11F17N2O2
inchikey: GTEXASFKPWBCFJ-FPLPWBNLSA-N
norman_susdat_id: NS00109402
smiles: CC(NNC(=O)c1ccccc1)=CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
name:
N'-[(2Z)-5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heptadecafluoro-4-oxododec-2-en-2-yl]benzohydrazide

inchi:
InChI=1S/C19H11F17N2O2/c1-8(37-38-11(40)9-5-3-2-4-6-9)7-10(39)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/h2-7,37H,1H3,(H,38,40)/b8-7-


name: N'-[(2E)-5,5,6,6,7,7,7-Heptafluoro-4-oxohept-2-en-2-yl]-4-nitrobenzohydrazide
cas: 203201-05-2
dtxsid: DTXSID60896249
formula: C14H10F7N3O4
inchikey: TZDXLQYBVHDLNK-VOTSOKGWSA-N
norman_susdat_id: NS00111110
smiles: CC(NNC(=O)c1ccc(cc1)[N+]([O-])=O)=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C14H10F7N3O4/c1-7(6-10(25)12(15,16)13(17,18)14(19,20)21)22-23-11(26)8-2-4-9(5-3-8)24(27)28/h2-6,22H,1H3,(H,23,26)/b7-6+


name: 5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-Heptadecafluorododecane-2,4-dione
cas: 203201-14-3
dtxsid: DTXSID20895672
formula: C12H5F17O2
inchikey: LOPUACNVJXKLKA-UHFFFAOYSA-N
norman_susdat_id: NS00109703
smiles: CC(=O)CC(=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/C12H5F17O2/c1-3(30)2-4(31)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


name: 7,14-diethyl-7,14-dihydro-5-methylquinoxalino[2,3-b]phenazinium methyl sulphate
cas: 20322-78-5
dtxsid: DTXSID9066594
formula: C23H23N4
inchikey: WHDHHXVWIDCOFP-UHFFFAOYSA-M
norman_susdat_id: NS00051337
pubchem_cid: 21116401
smiles: O=S(=O)([O-])OC.N=1C=2C=CC=CC2N(C3=CC=4C(=CC13)N(C=5C=CC=CC5[N+]4C)CC)CC
inchi:
InChI=1/C23H23N4.CH4O4S/c1-4-26-18-11-7-6-10-16(18)24-17-14-23-22(15-21(17)26)25(3)19-12-8-9-13-20(19)27(23)5-2;1-5-6(2,3)4/h6-15H,4-5H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1


name: Disodium 7,7'-(carbonyldiimino)bis(4-hydroxynaphthalene-2-sulphonate)
cas: 20324-87-2
formula: C21H16N2O9S2.2Na
inchikey: MOUNHKKCIGVIDI-UHFFFAOYSA-L
norman_susdat_id: NS00084739
smiles: [Na+].[Na+].Oc1cc(cc2cc(NC(=O)Nc3ccc4c(O)cc(cc4c3)S(=O)(=O)[O-])ccc12)S(=O)(=O)[O-]
inchi:
InChI=1/C21H16N2O9S2.2Na/c24-19-9-15(33(27,28)29)7-11-5-13(1-3-17(11)19)22-21(26)23-14-2-4-18-12(6-14)8-16(10-20(18)25)34(30,31)32;;/h1-10,24-25H,(H2,22,23,26)(H,27,28,29)(H,30,31,32);;/q;2*+1/p-2


cas: 203255-81-6
dtxsid: DTXSID60870221
formula: C42H61O4P
inchikey: MSXXDBCLAKQJQT-UHFFFAOYSA-N
norman_susdat_id: NS00112958
smiles: CC1=CC(CCCOP2OC3=C(C=C(C=C3C3=CC(=CC(=C3O2)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)=CC(=C1O)C(C)(C)C
name:
3,3,5,5-Tetrakis(tert-butyl)-2,2-dihydroxybiphenyl, cyclic ester with [3-(3-tert-butyl-4-hydroxy-5-methylphenyl)propyl]oxyphosphonous acid

inchi:
InChI=1S/C42H61O4P/c1-26-20-27(21-32(35(26)43)40(8,9)10)18-17-19-44-47-45-36-30(22-28(38(2,3)4)24-33(36)41(11,12)13)31-23-29(39(5,6)7)25-34(37(31)46-47)42(14,15)16/h20-25,43H,17-19H2,1-16H3


name: Brostallicin
cas: 203258-60-0
dtxsid: DTXSID70174222
formula: C30H35BrN12O5
inchikey: RXOVOXFAAGIKDQ-UHFFFAOYSA-N
norman_susdat_id: NS00069704
pubchem_cid: 6918408
smiles: C=C(Br)C(=O)Nc1cc(C(=O)Nc2cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCNC(=N)N)n(C)c4)n(C)c3)n(C)c2)n(C)c1
inchi:
InChI=1S/C30H35BrN12O5/c1-16(31)25(44)36-17-9-22(41(3)12-17)27(46)38-19-11-24(43(5)14-19)29(48)39-20-10-23(42(4)15-20)28(47)37-18-8-21(40(2)13-18)26(45)34-6-7-35-30(32)33/h8-15H,1,6-7H2,2-5H3,(H,34,45)(H,36,44)(H,37,47)(H,38,46)(H,39,48)(H4,32,33,35)


name: Mepiprazole
cas: 20326-12-9
chebiid: CHEBI:134701
dtxsid: DTXSID30174223
formula: C16H21ClN4
inchikey: DOTIMEKVTCOGED-UHFFFAOYSA-N
norman_susdat_id: NS00068078
pubchem_cid: 71897
smiles: Cc1cc(CCN2CCN(c3cccc(Cl)c3)CC2)n[nH]1
inchi:
InChI=1S/C16H21ClN4/c1-13-11-15(19-18-13)5-6-20-7-9-21(10-8-20)16-4-2-3-14(17)12-16/h2-4,11-12H,5-10H2,1H3,(H,18,19)


name: Methyl perfluoroundecanoate
cas: 203302-98-1
dtxsid: DTXSID00379566
formula: C12H3F21O2
inchikey: CJFAZQXPXXDAQR-UHFFFAOYSA-N
norman_susdat_id: NS00108792
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)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C12H3F21O2/c1-35-2(34)3(13,14)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1H3


name: Methyl perfluorotetradecanoate
cas: 203302-99-2
dtxsid: DTXSID50377678
formula: C15H3F27O2
inchikey: DRRCLKOIEBNFIE-UHFFFAOYSA-N
norman_susdat_id: NS00110532
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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C15H3F27O2/c1-44-2(43)3(16,17)4(18,19)5(20,21)6(22,23)7(24,25)8(26,27)9(28,29)10(30,31)11(32,33)12(34,35)13(36,37)14(38,39)15(40,41)42/h1H3


name: Methyl perfluoropentadecanoate
cas: 203303-00-8
dtxsid: DTXSID20379563
formula: C16H3F29O2
inchikey: QHUMNQRKSPEXJP-UHFFFAOYSA-N
norman_susdat_id: NS00109507
inchi:
InChI=1S/C16H3F29O2/c1-47-2(46)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)15(41,42)16(43,44)45/h1H3

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)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: 3-(2,5-Dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
cas: 203312-38-3
chemspiderid: 23350261
dtxsid: DTXSID90716123
formula: C18H23N1O3
inchikey: IDJJHEIUIYGFDX-UHFFFAOYSA-N
norman_susdat_id: NS00002241
pubchem_cid: 54708610
smiles: COC1CCC2(CC1)NC(=O)C(=C2O)c1cc(C)ccc1C
inchi:
InChI=1S/C18H23NO3/c1-11-4-5-12(2)14(10-11)15-16(20)18(19-17(15)21)8-6-13(22-3)7-9-18/h4-5,10,13,20H,6-9H2,1-3H3,(H,19,21)


name: Spirotetramat
cas: 203313-25-1
chemspiderid: 8145165
dtxsid: DTXSID7044342
formula: C21H27N1O5
inchikey: CLSVJBIHYWPGQY-UHFFFAOYSA-N
norman_susdat_id: NS00008224
pubchem_cid: 9969573
smiles: CCOC(=O)OC1=C(C(=O)NC11CCC(CC1)OC)c1cc(C)ccc1C
inchi:
InChI=1S/C21H27NO5/c1-5-26-20(24)27-18-17(16-12-13(2)6-7-14(16)3)19(23)22-21(18)10-8-15(25-4)9-11-21/h6-7,12,15H,5,8-11H2,1-4H3,(H,22,23)


name: methyl cis-1-{[(2,5-dimethylphenyl)acetyl]amino}-4-methoxycyclohexanecarboxylate
cas: 203313-47-7
chemspiderid: 23350262
formula: C19H27N1O4
inchikey: XDMDPNFUGPCFHE-UWUNEBHHSA-N
norman_susdat_id: NS00003359
pubchem_cid: NA
smiles: CO[C@H]1CC[C@](CC1)(NC(=O)Cc1cc(C)ccc1C)C(=O)OC
inchi:
InChI=1S/C19H27NO4/c1-13-5-6-14(2)15(11-13)12-17(21)20-19(18(22)24-4)9-7-16(23-3)8-10-19/h5-6,11,16H,7-10,12H2,1-4H3,(H,20,21)/t16-,19+


name: Diphenylthioxostannane
cas: 20332-10-9
dtxsid: DTXSID50174240
formula: C12H10SSn
inchikey: CYXRBVIJBDYNQU-UHFFFAOYSA-N
norman_susdat_id: NS00051339
pubchem_cid: 88492
smiles: S=[Sn](C=1C=CC=CC1)C=2C=CC=CC2
inchi:
InChI=1/2C6H5.S.Sn/c2*1-2-4-6-5-3-1;;/h2*1-5H;;/rC12H10SSn/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H


name: Phenothiazin-3-ol, 2-chloro-10-[3-(dimethylamino)propyl]-, acetate (ester)
cas: 20333-80-6
chemspiderid: 476370
formula: C19H21ClN2O2S
inchikey: AUESYCHQJPBGKQ-UHFFFAOYSA-N
norman_susdat_id: NS00114085
pubchem_cid: 547312
smiles: CC(=O)OC1=C(C=C2C(=C1)SC3=CC=CC=C3N2CCCN(C)C)Cl
inchi:
InChI=1S/C19H21ClN2O2S/c1-13(23)24-17-12-19-16(11-14(17)20)22(10-6-9-21(2)3)15-7-4-5-8-18(15)25-19/h4-5,7-8,11-12H,6,9-10H2,1-3H3


name: Phenothiazin-2-ol, 8-chloro-10-[3-(dimethylamino)propyl]-, acetate (ester)
cas: 20333-81-7
chemspiderid: 476367
formula: C19H21ClN2O2S
inchikey: TZMZNKUSKYOABO-UHFFFAOYSA-N
norman_susdat_id: NS00114084
pubchem_cid: 547309
smiles: CC(=O)OC1=CC2=C(C=C1)SC3=C(N2CCCN(C)C)C=C(C=C3)Cl
inchi:
InChI=1S/C19H21ClN2O2S/c1-13(23)24-15-6-8-19-17(12-15)22(10-4-9-21(2)3)16-11-14(20)5-7-18(16)25-19/h5-8,11-12H,4,9-10H2,1-3H3


name: 2-[4-[(2-chloro-4-nitrophenyl)azo]-N-(2-cyanoethyl)-3-methylanilino]ethyl benzoate
cas: 20339-55-3
formula: C25H23ClN5O4
inchikey: WHPIKYRFNMHMKN-UHFFFAOYSA-N
norman_susdat_id: NS00050880
pubchem_cid: 88495
smiles: N#CCCN(C1=CC=C(N=NC2=CC=C(C=C2Cl)[N+](=O)[O-])C(=C1)C)CCOC(=O)C=3C=CC=CC3
inchi:
InChI=1/C25H22ClN5O4/c1-18-16-20(8-10-23(18)28-29-24-11-9-21(31(33)34)17-22(24)26)30(13-5-12-27)14-15-35-25(32)19-6-3-2-4-7-19/h2-4,6-11,16-17H,5,13-15H2,1H3


name: Daphnoretin
cas: 2034-69-7
chebiid: CHEBI:4324
chemspiderid: 4444756
dtxsid: DTXSID00174250
formula: C19H12O7
inchikey: JRHMMVBOTXEHGJ-UHFFFAOYSA-N
norman_susdat_id: NS00094591
pubchem_cid: 5281406
smiles: COC1=C(O)C=C2OC(=O)C(OC3=CC4=C(C=CC(=O)O4)C=C3)=CC2=C1
inchi:
InChI=1S/C19H12O7/c1-23-16-6-11-7-17(19(22)26-15(11)9-13(16)20)24-12-4-2-10-3-5-18(21)25-14(10)8-12/h2-9,20H,1H3


name: Testosterone 3-cyclohexylpropionate
cas: 2034-94-8
dtxsid: DTXSID60942497
formula: C28H42O3
inchikey: HFFZTSFKTLANED-FEZCWRLCSA-N
norman_susdat_id: NS00046369
pubchem_cid: 102200
smiles: O=C(OC1CCC2C3CCC4=CC(=O)CCC4(C)C3CCC12C)CCC5CCCCC5
inchi:
InChI=1/C28H42O3/c1-27-16-14-21(29)18-20(27)9-10-22-23-11-12-25(28(23,2)17-15-24(22)27)31-26(30)13-8-19-6-4-3-5-7-19/h18-19,22-25H,3-17H2,1-2H3


name: Disodium 4-hydroxynaphthalene-2,7-disulphonate
cas: 20349-39-7
formula: C10H8O7S2.2Na
inchikey: RJMDNLVCFLKDBY-UHFFFAOYSA-L
norman_susdat_id: NS00084461
smiles: [Na+].[Na+].Oc1cc(cc2cc(ccc12)S(=O)(=O)[O-])S(=O)(=O)[O-]
inchi:
InChI=1/C10H8O7S2.2Na/c11-10-5-8(19(15,16)17)4-6-3-7(18(12,13)14)1-2-9(6)10;;/h1-5,11H,(H,12,13,14)(H,15,16,17);;/q;2*+1/p-2


name: Sodium 6-(acetylamino)-4-hydroxynaphthalene-2-sulphonate
cas: 20349-44-4
formula: C12H11NO5S.Na
inchikey: VYDFNELGRXQZSB-UHFFFAOYSA-M
norman_susdat_id: NS00084988
smiles: [Na+].CC(=O)Nc1ccc2cc(cc(O)c2c1)S(=O)(=O)[O-]
inchi:
InChI=1/C12H11NO5S.Na/c1-7(14)13-9-3-2-8-4-10(19(16,17)18)6-12(15)11(8)5-9;/h2-6,15H,1H3,(H,13,14)(H,16,17,18);/q;+1/p-1


name: Disodium 1-amino-4-(4-amino-2-sulphonatoanilino)-9,10-dihydro-9,10-dioxoanthracene-2-sulphonate
cas: 20349-48-8
formula: C20H15N3O8S2.2Na
inchikey: WCAVPXPSGHGFCU-UHFFFAOYSA-L
norman_susdat_id: NS00084462
smiles: [Na+].[Na+].Nc1ccc(Nc2cc(c(N)c3C(=O)c4ccccc4C(=O)c23)S(=O)(=O)[O-])c(c1)S(=O)(=O)[O-]
inchi:
InChI=1/C20H15N3O8S2.2Na/c21-9-5-6-12(14(7-9)32(26,27)28)23-13-8-15(33(29,30)31)18(22)17-16(13)19(24)10-3-1-2-4-11(10)20(17)25;;/h1-8,23H,21-22H2,(H,26,27,28)(H,29,30,31);;/q;2*+1/p-2


name: (-)-Maackiain
cas: 2035-15-6
chebiid: CHEBI:73029
chemspiderid: 323014
dtxsid: DTXSID40904139
formula: C16H12O5
inchikey: HUKSJTUUSUGIDC-UHFFFAOYSA-N
norman_susdat_id: NS00067877
pubchem_cid: 363863
inchi:
InChI=1S/C16H12O5/c17-8-1-2-9-12(3-8)18-6-11-10-4-14-15(20-7-19-14)5-13(10)21-16(9)11/h1-5,11,16-17H,6-7H2


name: 1,13-dihydroxy-6-methyl-1h,4h,6h,7h,8h,9h,11ah,12h,13h,14h,14ah-cyclopenta[f]oxacyclotridecan-4-one
cas: 20350-15-6
formula: C16H24O4
inchikey: KQNZDYYTLMIZCT-XPABHHOTSA-N
norman_susdat_id: NS00073661
pubchem_cid: 25102665
smiles: C[C@H]1CCCC=C[C@@H]2C[C@H](O)C[C@H]2[C@H](O)C=CC(=O)O1
inchi:
InChI=1S/C16H24O4/c1-11-5-3-2-4-6-12-9-13(17)10-14(12)15(18)7-8-16(19)20-11/h4,6-8,11-15,17-18H,2-3,5,9-10H2,1H3/t11-,12+,13-,14+,15+/m0/s1


name: 2-amino-5,6,7,8-tetrahydro-1H-pteridin-4-one sulphate
cas: 20350-44-1
dtxsid: DTXSID70174262
formula: C6H9N5O
inchikey: CPBWQWQPPDBUKA-UHFFFAOYSA-N
norman_susdat_id: NS00050887
pubchem_cid: NA
smiles: O=C1N=C(N)NC=2NCCNC12.O=S(=O)(O)O
inchi:
InChI=1/C6H9N5O.H2O4S/c7-6-10-4-3(5(12)11-6)8-1-2-9-4;1-5(2,3)4/h8H,1-2H2,(H4,7,9,10,11,12);(H2,1,2,3,4)


name: 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetyl chloride
cas: 20357-37-3
dtxsid: DTXSID80942515
formula: C19H15Cl2NO3
inchikey: VCVWWGAKIXAYTN-UHFFFAOYSA-N
norman_susdat_id: NS00050933
pubchem_cid: 88506
smiles: O=C(Cl)CC=1C=2C=C(OC)C=CC2N(C(=O)C3=CC=C(Cl)C=C3)C1C
inchi:
InChI=1/C19H15Cl2NO3/c1-11-15(10-18(21)23)16-9-14(25-2)7-8-17(16)22(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3


cas: 203572-45-6
dtxsid: DTXSID30882659
norman_susdat_id: NS00109950
name:
Copolymer of ethene, 2,3,3,4,4,5,5-heptafluoropent-1-ene, perfluoropropene and perfluoroethene (having 1,000 or more of number average molecular weight also insoluble in water, lipophilic solvents, generally used solvents, acid and alkaline)


name: Arctiin
cas: 20362-31-6
chebiid: CHEBI:80793
chemspiderid: 90827
formula: C27H34O11
inchikey: XOJVHLIYNSOZOO-SWOBOCGESA-N
norman_susdat_id: NS00018355
pubchem_cid: 100528
smiles: COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC)OC
inchi:
InChI=1S/C27H34O11/c1-33-18-6-4-14(10-20(18)34-2)8-16-13-36-26(32)17(16)9-15-5-7-19(21(11-15)35-3)37-27-25(31)24(30)23(29)22(12-28)38-27/h4-7,10-11,16-17,22-25,27-31H,8-9,12-13H2,1-3H3/t16-,17+,22+,23+,24-,25+,27+/m0/s1


name: Acetamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-(3,5-dichloro-2-hydroxy-4-methylphenyl)-
cas: 20364-09-4
chemspiderid: 79860
dtxsid: DTXSID6066600
formula: C25H33Cl2N1O3
inchikey: RGIVHZWXUHEZIP-UHFFFAOYSA-N
norman_susdat_id: NS00026600
pubchem_cid: 88509
smiles: CCC(C)(C)c1ccc(OCC(=O)Nc2c(O)c(Cl)c(C)c(Cl)c2)c(c1)C(C)(C)CC
inchi:
InChI=1S/C25H33Cl2NO3/c1-8-24(4,5)16-10-11-20(17(12-16)25(6,7)9-2)31-14-21(29)28-19-13-18(26)15(3)22(27)23(19)30/h10-13,30H,8-9,14H2,1-7H3,(H,28,29)


name: S-3304
cas: 203640-27-1
dtxsid: DTXSID20174292
formula: C24H20N2O4S2
inchikey: YWCLDDLVLSQGSZ-JOCHJYFZSA-N
norman_susdat_id: NS00068313
pubchem_cid: 10718956
smiles: Cc1ccc(C#Cc2ccc(S(=O)(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)O)s2)cc1
inchi:
InChI=1S/C24H20N2O4S2/c1-16-6-8-17(9-7-16)10-11-19-12-13-23(31-19)32(29,30)26-22(24(27)28)14-18-15-25-21-5-3-2-4-20(18)21/h2-9,12-13,15,22,25-26H,14H2,1H3,(H,27,28)/t22-/m1/s1


name: Propanenitrile, 3-[[4-[(2-bromo-4-nitrophenyl)azo]phenyl](2-hydroxyethyl)amino]-
cas: 20371-10-2
chemspiderid: 79865
dtxsid: DTXSID6066602
formula: C17H16Br1N5O3
inchikey: MJSFZNFCRPQTTB-UHFFFAOYSA-N
norman_susdat_id: NS00026605
pubchem_cid: 88514
smiles: OCCN(CCC#N)c1ccc(cc1)N=Nc1c(Br)cc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C17H16BrN5O3/c18-16-12-15(23(25)26)6-7-17(16)21-20-13-2-4-14(5-3-13)22(10-11-24)9-1-8-19/h2-7,12,24H,1,9-11H2/b21-20+


cas: 203743-03-7
dtxsid: DTXSID90882817
norman_susdat_id: NS00112016
name:
2-Propenoic acid, 2-methyl-, hexadecyl ester, polymers with 2-hydroxyethyl methacrylate, .gamma.-.omega.-perfluoro-C10-16-alkyl acrylate and stearyl methacrylate


name: p-Coumaroyltyramine
cas: 20375-37-5
chebiid: CHEBI:65665
formula: C17H17NO3
inchikey: RXGUTQNKCXHALN-BJMVGYQFSA-N
norman_susdat_id: NS00097219
smiles: C1=CC(=CC=C1CCNC(=O)/C=C/C2=CC=C(C=C2)O)O
inchi:
InChI=1S/C17H17NO3/c19-15-6-1-13(2-7-15)5-10-17(21)18-12-11-14-3-8-16(20)9-4-14/h1-10,19-20H,11-12H2,(H,18,21)/b10-5+


name: Ethyl cis-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate
cas: 20380-56-7
formula: C17H23NO2
inchikey: WDEFBBTXULIOBB-NVXWUHKLSA-N
norman_susdat_id: NS00085017
smiles: CCOC(=O)[C@]1(CCC=C[C@H]1N(C)C)c2ccccc2
inchi:
InChI=1/C17H23NO2/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3/h5-8,10-12,15H,4,9,13H2,1-3H3


name: Tilidine
cas: 20380-58-9
chebiid: CHEBI:77822
chemspiderid: 27988
dtxsid: DTXSID9023671
formula: C17H23N1O2
inchikey: WDEFBBTXULIOBB-WBVHZDCISA-N
norman_susdat_id: NS00010651
pubchem_cid: 30131
smiles: CCOC(=O)[C@@]1(CCC=C[C@H]1N(C)C)c2ccccc2
inchi:
InChI=1S/C17H23NO2/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3/h5-8,10-12,15H,4,9,13H2,1-3H3/t15-,17+/m1/s1


name: Ethyl cis-2-(dimethylamino)-1-phenylcyclohex-3-ene-1-carboxylate hydrochloride
cas: 20380-60-3
formula: C17H23NO2.ClH
inchikey: MUWDJVKYGSDUSH-SSPJITILSA-N
norman_susdat_id: NS00084482
smiles: Cl.CCOC(=O)[C@]1(CCC=C[C@H]1N(C)C)c2ccccc2
inchi:
InChI=1/C17H23NO2.ClH/c1-4-20-16(19)17(14-10-6-5-7-11-14)13-9-8-12-15(17)18(2)3;/h5-8,10-12,15H,4,9,13H2,1-3H3;1H


name: Brx-235
cas: 203805-20-3
dtxsid: DTXSID40950313
formula: C14H20N4O
inchikey: QWVRTSZDKPRPDF-ZDUSSCGKSA-N
norman_susdat_id: NS00068467
smiles: c1cncc(C2=N[C@@H](CN3CCCCC3)CON2)c1
inchi:
InChI=1S/C14H20N4O/c1-2-7-18(8-3-1)10-13-11-19-17-14(16-13)12-5-4-6-15-9-12/h4-6,9,13H,1-3,7-8,10-11H2,(H,16,17)/t13-/m0/s1


name: N-Propargylnormorphine
cas: 20382-77-8
chemspiderid: 4591114
dtxsid: DTXSID90174320
formula: C19H19N1O3
inchikey: NGOKGGHABHVRMX-SSTWWWIQSA-N
norman_susdat_id: NS00026609
pubchem_cid: 5492711
smiles: O[C@H]1C=C[C@H]2[C@H]3Cc4c5c(O[C@@H]1[C@@]25CCN3CC#C)c(O)cc4
inchi:
InChI=1S/C19H19NO3/c1-2-8-20-9-7-19-12-4-6-15(22)18(19)23-17-14(21)5-3-11(16(17)19)10-13(12)20/h1,3-6,12-13,15,18,21-22H,7-10H2/t12-,13+,15-,18-,19-/m0/s1


name: Cositecan
cas: 203923-89-1
dtxsid: DTXSID90174340
formula: C25H28N2O4Si
inchikey: POADTFBBIXOWFJ-VWLOTQADSA-N
norman_susdat_id: NS00073515
pubchem_cid: 148202
smiles: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CC[Si](C)(C)C
inchi:
InChI=1S/C25H28N2O4Si/c1-5-25(30)19-12-21-22-17(13-27(21)23(28)18(19)14-31-24(25)29)15(10-11-32(2,3)4)16-8-6-7-9-20(16)26-22/h6-9,12,30H,5,10-11,13-14H2,1-4H3/t25-/m0/s1


name: Bis[p-(dimethylamino)phenyl]methyl p-toluenesulphinate
cas: 20393-06-0
dtxsid: DTXSID80885130
formula: C24H28N2O2S
inchikey: PFRXVBQHUSKFSS-UHFFFAOYSA-N
norman_susdat_id: NS00050488
pubchem_cid: 88519
smiles: O=S(OC(C1=CC=C(C=C1)N(C)C)C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)C
inchi:
InChI=1/C24H28N2O2S/c1-18-6-16-23(17-7-18)29(27)28-24(19-8-12-21(13-9-19)25(2)3)20-10-14-22(15-11-20)26(4)5/h6-17,24H,1-5H3


name: Diethylaluminium iodide
cas: 2040-00-8
formula: C4H10AlI
inchikey: PPQUYYAZSOKTQD-UHFFFAOYSA-M
norman_susdat_id: NS00081980
smiles: [I-].CC[Al+]CC
inchi:
InChI=1/2C2H5.Al.HI/c2*1-2;;/h2*1H2,2H3;;1H/q;;+1;/p-1/rC4H10Al.HI/c1-3-5-4-2;/h3-4H2,1-2H3;1H/q+1;/p-1


name: Tetradecanoic acid, dodecyl ester
cas: 2040-64-4
chemspiderid: 67444
dtxsid: DTXSID1062120
formula: C26H52O2
inchikey: DFQOCHPHORLRID-UHFFFAOYSA-N
norman_susdat_id: NS00013833
pubchem_cid: 74881
smiles: CCCCCCCCCCCCCC(=O)OCCCCCCCCCCCC
inchi:
InChI=1S/C26H52O2/c1-3-5-7-9-11-13-15-16-18-20-22-24-26(27)28-25-23-21-19-17-14-12-10-8-6-4-2/h3-25H2,1-2H3


name: Myristic acid, lead salt
cas: 20403-41-2
formula: C14H28O2.xPb
inchikey: XGKFXFYGFVPPFC-UHFFFAOYSA-N
norman_susdat_id: NS00084483
smiles: [Pb].OC(=O)CCCCCCCCCCCCC
inchi:
InChI=1/C14H28O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;;/h2-13H2,1H3,(H,15,16);;;/q;+4;;/rC14H28O2.H2Pb/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;/h2-13H2,1H3,(H,15,16);1H2/q;+4


name: Decanoic acid, lead salt
cas: 20403-42-3
formula: C10H20O2.xPb
inchikey: KNHTZPJKVPEFGY-UHFFFAOYSA-N
norman_susdat_id: NS00084183
smiles: [Pb].OC(=O)CCCCCCCCC
inchi:
InChI=1/C10H20O2.Pb.2H/c1-2-3-4-5-6-7-8-9-10(11)12;;;/h2-9H2,1H3,(H,11,12);;;/q;+4;;/rC10H20O2.H2Pb/c1-2-3-4-5-6-7-8-9-10(11)12;/h2-9H2,1H3,(H,11,12);1H2/q;+4


name: Bis(2-hydroxyethyl)ammonium 4-chloro-o-tolyloxyacetate
cas: 20405-19-0
formula: C9H9ClO3.C4H11NO2
inchikey: XQAVWNJMMDWIKG-UHFFFAOYSA-N
norman_susdat_id: NS00084184
smiles: Cc1cc(Cl)ccc1OCC(=O)[O-].OCC[NH2+]CCO
inchi:
InChI=1/C9H9ClO3.C4H11NO2/c1-6-4-7(10)2-3-8(6)13-5-9(11)12;6-3-1-5-2-4-7/h2-4H,5H2,1H3,(H,11,12);5-7H,1-4H2


name: (5alpha,6alpha)-4,5-Epoxy-17-(2-propenyl)morphinan-3,6,14-triol
cas: 20410-95-1
dtxsid: DTXSID20942579
formula: C19H23NO4
inchikey: HMWHERQFMBEHNG-AQQQZIQISA-N
norman_susdat_id: NS00097779
smiles: OC1=C(O[C@@H]([C@@H](O)CC2)[C@@]34[C@]2(O)[C@H](N(CC=C)CC4)C5)C3=C5C=C1
inchi:
InChI=1S/C19H23NO4/c1-2-8-20-9-7-18-15-11-3-4-12(21)16(15)24-17(18)13(22)5-6-19(18,23)14(20)10-11/h2-4,13-14,17,21-23H,1,5-10H2/t13-,14+,17-,18-,19+/m0/s1


name: 6beta-Hydroxynaltrexone
cas: 20410-98-4
chemspiderid: 4588965
dtxsid: DTXSID80197942
formula: C20H25N1O4
inchikey: JLVNEHKORQFVQJ-PYIJOLGTSA-N
norman_susdat_id: NS00003924
pubchem_cid: 5486554
smiles: O[C@@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CC1)c45
inchi:
InChI=1S/C20H25NO4/c22-13-4-3-12-9-15-20(24)6-5-14(23)18-19(20,16(12)17(13)25-18)7-8-21(15)10-11-1-2-11/h3-4,11,14-15,18,22-24H,1-2,5-10H2/t14-,15-,18+,19+,20-/m1/s1


name: 3-(Nonafluorobutyl)-5-phenyl-1H-pyrazole
cas: 204130-95-0
dtxsid: DTXSID60896163
formula: C13H7F9N2
inchikey: SVXMNQVFCJCBTQ-UHFFFAOYSA-N
norman_susdat_id: NS00111101
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)c1nNc(c1):c1ccccc1
inchi:
InChI=1S/C13H7F9N2/c14-10(15,11(16,17)12(18,19)13(20,21)22)9-6-8(23-24-9)7-4-2-1-3-5-7/h1-6H,(H,23,24)


name: Indibulin
cas: 204205-90-3
dtxsid: DTXSID70174368
formula: C22H16ClN3O2
inchikey: SOLIIYNRSAWTSQ-UHFFFAOYSA-N
norman_susdat_id: NS00072208
pubchem_cid: 2929
smiles: O=C(Nc1ccncc1)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12
inchi:
InChI=1S/C22H16ClN3O2/c23-16-7-5-15(6-8-16)13-26-14-19(18-3-1-2-4-20(18)26)21(27)22(28)25-17-9-11-24-12-10-17/h1-12,14H,13H2,(H,24,25,28)


cas: 20421-10-7
chebiid: CHEBI:175362
dtxsid: DTXSID20942594
formula: C17H14O8
inchikey: PHYKMMVEUJESOM-UHFFFAOYSA-N
norman_susdat_id: NS00050491
pubchem_cid: 105095
smiles: O=C1OC2=C(C(OC)=CC=3OC4OC(O)CC4C32)C5=C1C(=O)OCC5
name:
3,4,7a,9,10,10a-hexahydro-9-hydroxy-5-methoxy-1H,12H-furo[3',2':4,5]furo[2,3-h]pyrano[3,4-c][1]benzopyran-1,12-dione

inchi:
InChI=1/C17H14O8/c1-21-8-5-9-12(7-4-10(18)24-17(7)23-9)14-11(8)6-2-3-22-15(19)13(6)16(20)25-14/h5,7,10,17-18H,2-4H2,1H3


name: NM-2201
cas: 2042201-16-9
chemspiderid: NA
dtxsid: DTXSID201009986
formula: C24H22F1N1O2
inchikey: PRGFSQYZCKCBQO-UHFFFAOYSA-N
norman_susdat_id: NS00017400
pubchem_cid: 91864534
smiles: C1=CC=C2C(=C1)C=CC=C2OC(=O)C3=CN(C4=CC=CC=C43)CCCCCF
inchi:
InChI=1S/C24H22FNO2/c25-15-6-1-7-16-26-17-21(20-12-4-5-13-22(20)26)24(27)28-23-14-8-10-18-9-2-3-11-19(18)23/h2-5,8-14,17H,1,6-7,15-16H2


name: Meladrazine (+)-tartrate
cas: 20423-87-4
formula: C11H23N7.C4H6O6
inchikey: VYNYHQSBWOQQSB-UHFFFAOYSA-N
norman_susdat_id: NS00085020
smiles: CCN(CC)c1nc(NN)nc(n1)N(CC)CC.OC(C(O)C(=O)O)C(=O)O
inchi:
InChI=1/C11H23N7.C4H6O6/c1-5-17(6-2)10-13-9(16-12)14-11(15-10)18(7-3)8-4;5-1(3(7)8)2(6)4(9)10/h5-8,12H2,1-4H3,(H,13,14,15,16);1-2,5-6H,(H,7,8)(H,9,10)


name: Deprodone
cas: 20423-99-8
formula: C21H28O4
inchikey: KQZSMOGWYFPKCH-UJPCIWJBSA-N
norman_susdat_id: NS00050943
pubchem_cid: 10969997
smiles: O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)C)C4(C)CC(O)C32)C
inchi:
InChI=1/C21H28O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h6,8,10,15-18,24-25H,4-5,7,9,11H2,1-3H3


name: Salicylic acid, compound with 2-(benzhydryloxy)-N,N-dimethylethylamine (1:1)
cas: 2042-34-8
chebiid: CHEBI:34720
formula: C17H21NO.C7H6O3
inchikey: RTSZUSOHOIFYSY-UHFFFAOYSA-N
norman_susdat_id: NS00082092
smiles: CN(C)CCOC(c1ccccc1)c2ccccc2.OC(=O)c3ccccc3O
inchi:
InChI=1/C17H21NO.C7H6O3/c1-18(2)13-14-19-17(15-9-5-3-6-10-15)16-11-7-4-8-12-16;8-6-4-2-1-3-5(6)7(9)10/h3-12,17H,13-14H2,1-2H3;1-4,8H,(H,9,10)


name: 11ß,17-dihydroxypregna-1,4-diene-3,20-dione 17-propionate
cas: 20424-00-4
chebiid: CHEBI:31465
dtxsid: DTXSID70942600
formula: C24H32O5
inchikey: DRSFVGQMPYTGJY-GNSLJVCWSA-N
norman_susdat_id: NS00050944
pubchem_cid: 443972
smiles: O=C1C=CC2(C(=C1)CCC3C4CCC(OC(=O)CC)(C(=O)C)C4(C)CC(O)C32)C
inchi:
InChI=1/C24H32O5/c1-5-20(28)29-24(14(2)25)11-9-18-17-7-6-15-12-16(26)8-10-22(15,3)21(17)19(27)13-23(18,24)4/h8,10,12,17-19,21,27H,5-7,9,11,13H2,1-4H3


name: Hexadecyl (9Z,12Z)-octadeca-9,12-dienoate
cas: 20424-31-1
chebiid: CHEBI:165717
formula: C34H64O2
inchikey: MJCPRFASSBVGQD-OHNCOSGTSA-N
norman_susdat_id: NS00050945
pubchem_cid: 6436521
smiles: O=C(OCCCCCCCCCCCCCCCC)CCCCCCCC=CCC=CCCCCC
inchi:
InChI=1/C34H64O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17,19H,3-10,12,14-16,18,20-33H2,1-2H3


cas: 204254-84-2
chemspiderid: 8124591
formula: C13H20O7S1
inchi: InChI=1S/C13H20O7S/c1-5-17-12(14)8-6-9-11(19-13(2,3)18-9)10(7-8)20-21(4,15)16/h6,9-11H,5,7H2,1-4H3
inchikey: VSLJKWHERQGBEK-UHFFFAOYSA-N
norman_susdat_id: NS00007992
pubchem_cid: NA
smiles: CCOC(=O)C1=CC2OC(C)(C)OC2C(C1)OS(C)(=O)=O
name:
Ethyl (3aR,7R,7aR)-2,2-dimethyl-7-[(methylsulfonyl)oxy]-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate


name: ethyl (3R,4R,5S)-4-acetamido-5-azido-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylate
cas: 204255-06-1
chemspiderid: 8143273
formula: C16H26N4O4
inchikey: MPTCBJSPQVJIPZ-RRFJBIMHSA-N
norman_susdat_id: NS00011482
pubchem_cid: 9967681
smiles: CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@H](C1)N=[N+]=[N-]
inchi:
InChI=1S/C16H26N4O4/c1-5-12(6-2)24-14-9-11(16(22)23-7-3)8-13(19-20-17)15(14)18-10(4)21/h9,12-15H,5-8H2,1-4H3,(H,18,21)/t13-,14+,15+/m0/s1


name: 2-[2-(4-Nonylphenoxy)ethoxy]ethanol
cas: 20427-84-3
chemspiderid: 23159
dtxsid: DTXSID9058600
formula: C19H32O3
inchikey: BLXVTZPGEOGTGG-UHFFFAOYSA-N
norman_susdat_id: NS00008410
pubchem_cid: 24773
smiles: CCCCCCCCCc1ccc(OCCOCCO)cc1
eea_notation: CAS_20427-84-3
inchi:
InChI=1S/C19H32O3/c1-2-3-4-5-6-7-8-9-18-10-12-19(13-11-18)22-17-16-21-15-14-20/h10-13,20H,2-9,14-17H2,1H3


name: 9-Octadecenamide, N-[2-(2-hydroxyethoxy)ethyl]-, (9Z)-
cas: 20429-33-8
chemspiderid: 4941149
dtxsid: DTXSID20885134
formula: C22H43N1O3
inchikey: ULHGTPIJYDGNHZ-KTKRTIGZSA-N
norman_susdat_id: NS00013941
pubchem_cid: 6436522
smiles: CCCCCCCCC=C/CCCCCCCC(=O)NCCOCCO
inchi:
InChI=1S/C22H43NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(25)23-18-20-26-21-19-24/h9-10,24H,2-8,11-21H2,1H3,(H,23,25)/b10-9-


name: 2,5-bis([1,1'-biphenyl]-4-yl)-1,3,4-oxadiazole
cas: 2043-06-3
dtxsid: DTXSID80174374
formula: C26H18N2O
inchikey: IVVYVRLKDGGUEL-UHFFFAOYSA-N
norman_susdat_id: NS00046402
pubchem_cid: 96840
smiles: N=1N=C(OC1C=2C=CC(=CC2)C=3C=CC=CC3)C=4C=CC(=CC4)C=5C=CC=CC5
inchi:
InChI=1/C26H18N2O/c1-3-7-19(8-4-1)21-11-15-23(16-12-21)25-27-28-26(29-25)24-17-13-22(14-18-24)20-9-5-2-6-10-20/h1-18H


name: Buthiazide
cas: 2043-38-1
chebiid: CHEBI:135492
chemspiderid: 15442
dtxsid: DTXSID6022713
formula: C11H16Cl1N3O4S2
inchikey: HGBFRHCDYZJRAO-UHFFFAOYSA-N
norman_susdat_id: NS00009381
pubchem_cid: 16274
smiles: CC(C)CC1Nc2cc(Cl)c(cc2S(=O)(=O)N1)S(N)(=O)=O
inchi:
InChI=1S/C11H16ClN3O4S2/c1-6(2)3-11-14-8-4-7(12)9(20(13,16)17)5-10(8)21(18,19)15-11/h4-6,11,14-15H,3H2,1-2H3,(H2,13,16,17)


name: 8:2 Fluorotelomer iodide
cas: 2043-53-0
chemspiderid: 67448
dtxsid: DTXSID6062123
formula: C10H4F17I1
inchikey: XVKJSLBVVRCOIT-UHFFFAOYSA-N
norman_susdat_id: NS00011021
pubchem_cid: 74885
smiles: C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CI
inchi:
InChI=1S/C10H4F17I/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2


name: 10:2 Fluorotelomer iodide
cas: 2043-54-1
chemspiderid: 67449
dtxsid: DTXSID1062124
formula: C12H4F21I1
inchikey: HVWXRMINOYZYCK-UHFFFAOYSA-N
norman_susdat_id: NS00011023
pubchem_cid: 74886
smiles: C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)CI
inchi:
InChI=1S/C12H4F21I/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2


name: Dihydrogen [N,N-bis[2-[bis(carboxymethyl)amino]ethyl]glycinato(5-)]ferrate(2-)
cas: 20438-93-1
formula: C14H18FeN3O10.2H
inchikey: KIYRMHGKVHQJDB-UHFFFAOYSA-K
norman_susdat_id: NS00085100
smiles: OC(=O)CN1CCN(CC(=O)O)CC(=O)O[Fe]2OC(=O)CN(CC1)CC(=O)O2
inchi:
InChI=1/C14H23N3O10.Fe/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);/q;+3/p-3


name: Benzenamine, 4-nitro-N,N-bis(4-nitrophenyl)-
cas: 20440-93-1
chemspiderid: 79885
dtxsid: DTXSID0066610
formula: C18H12N4O6
inchikey: LSNJBIDKQIRWRQ-UHFFFAOYSA-N
norman_susdat_id: NS00026626
pubchem_cid: 88538
smiles: [O-][N+](=O)c1ccc(cc1)N(c1ccc(cc1)[N+](=O)[O-])c1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C18H12N4O6/c23-20(24)16-7-1-13(2-8-16)19(14-3-9-17(10-4-14)21(25)26)15-5-11-18(12-6-15)22(27)28/h1-12H


name: bornaprine
cas: 20448-86-6
chebiid: CHEBI:135406
chemspiderid: 28011
formula: C21H31N1O2
inchikey: BDNMABJZSXTKAQ-UHFFFAOYSA-N
norman_susdat_id: NS00007463
pubchem_cid: 30160
smiles: CCN(CC)CCCOC(=O)C1(CC2CCC1C2)c1ccccc1
inchi:
InChI=1S/C21H31NO2/c1-3-22(4-2)13-8-14-24-20(23)21(18-9-6-5-7-10-18)16-17-11-12-19(21)15-17/h5-7,9-10,17,19H,3-4,8,11-16H2,1-2H3


name: Triphenyl(pivaloyloxy)stannane
cas: 20451-90-5
dtxsid: DTXSID20174414
formula: C23H24O2Sn
inchikey: RQAQGOWWZZZDOG-UHFFFAOYSA-M
norman_susdat_id: NS00050984
pubchem_cid: 16684040
smiles: O=C(O[Sn](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3)C(C)(C)C
inchi:
InChI=1/3C6H5.C5H10O2.Sn/c3*1-2-4-6-5-3-1;1-5(2,3)4(6)7;/h3*1-5H;1-3H3,(H,6,7);/q;;;;+1/p-1/rC23H24O2Sn/c1-23(2,3)22(24)25-26(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h4-18H,1-3H3


name: Tecadenoson
cas: 204512-90-3
dtxsid: DTXSID80174415
formula: C14H19N5O5
inchikey: OESBDSFYJMDRJY-BAYCTPFLSA-N
norman_susdat_id: NS00069719
pubchem_cid: 158795
smiles: OC[C@H]1O[C@@H](n2cnc3c(N[C@@H]4CCOC4)ncnc32)[C@H](O)[C@@H]1O
inchi:
InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7-,8-,10-,11-,14-/m1/s1


name: Talnetant
cas: 204519-66-4
dtxsid: DTXSID00870124
formula: C25H22N2O2
inchikey: BIAVGWDGIJKWRM-FQEVSTJZSA-N
norman_susdat_id: NS00068616
pubchem_cid: 5311424
smiles: CC[C@H](NC(=O)c1c(O)c(-c2ccccc2)nc2ccccc12)c1ccccc1
inchi:
InChI=1S/C25H22N2O2/c1-2-20(17-11-5-3-6-12-17)27-25(29)22-19-15-9-10-16-21(19)26-23(24(22)28)18-13-7-4-8-14-18/h3-16,20,28H,2H2,1H3,(H,27,29)/t20-/m0/s1


name: Propanedioic acid, [(2,5-dimethoxyphenyl)methyl]-, diethyl ester
cas: 20452-51-1
chemspiderid: 79892
dtxsid: DTXSID0066616
formula: C16H22O6
inchikey: HJUFGOPKAMIEDJ-UHFFFAOYSA-N
norman_susdat_id: NS00026635
pubchem_cid: 88546
smiles: CCOC(=O)C(Cc1cc(OC)ccc1OC)C(=O)OCC
inchi:
InChI=1S/C16H22O6/c1-5-21-15(17)13(16(18)22-6-2)10-11-9-12(19-3)7-8-14(11)20-4/h7-9,13H,5-6,10H2,1-4H3


name: 9-Octadecenamide, N-[3-(dimethylamino)propyl]-12-hydroxy-, (9Z,12R)-
cas: 20457-75-4
chemspiderid: 4941150
dtxsid: DTXSID40885136
formula: C23H46N2O2
inchikey: DWIUBTKCNCCGOO-KAMYIIQDSA-N
norman_susdat_id: NS00014041
pubchem_cid: NA
smiles: CCCCCC[C@@H](O)CC=C/CCCCCCCC(=O)NCCCN(C)C
inchi:
InChI=1S/C23H46N2O2/c1-4-5-6-13-17-22(26)18-14-11-9-7-8-10-12-15-19-23(27)24-20-16-21-25(2)3/h11,14,22,26H,4-10,12-13,15-21H2,1-3H3,(H,24,27)/b14-11-/t22-/m1/s1


name: LY-377604
cas: 204592-94-9
dtxsid: DTXSID20174419
formula: C31H32N4O4
inchikey: RBSGUQYXRDKPAE-QFIPXVFZSA-N
norman_susdat_id: NS00068792
smiles: CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)NC[C@H](O)COc1cccc2[nH]c3ccccc3c12
inchi:
InChI=1S/C31H32N4O4/c1-31(2,16-20-10-13-23(14-11-20)39-28-15-12-21(17-33-28)30(32)37)34-18-22(36)19-38-27-9-5-8-26-29(27)24-6-3-4-7-25(24)35-26/h3-15,17,22,34-36H,16,18-19H2,1-2H3,(H2,32,37)/t22-/m0/s1


name: 3,3'-[isopropylidenebis(p-phenyleneoxy)]dipropanol
cas: 20464-36-2
dtxsid: DTXSID00942638
formula: C21H28O4
inchikey: CPHURRLSZSRQFS-UHFFFAOYSA-N
norman_susdat_id: NS00050986
pubchem_cid: 88553
smiles: OCCCOC1=CC=C(C=C1)C(C2=CC=C(OCCCO)C=C2)(C)C
inchi:
InChI=1/C21H28O4/c1-21(2,17-5-9-19(10-6-17)24-15-3-13-22)18-7-11-20(12-8-18)25-16-4-14-23/h5-12,22-23H,3-4,13-16H2,1-2H3


name: 10-((6-Aminohexyl)amino)-10-oxodecanoic acid
cas: 20465-98-9
chemspiderid: 79899
dtxsid: DTXSID00174432
formula: C16H32N2O3
inchikey: ZTBICKKYGNWYJO-UHFFFAOYSA-N
norman_susdat_id: NS00026638
pubchem_cid: 88554
smiles: NCCCCCCNC(=O)CCCCCCCCC(=O)O
inchi:
InChI=1S/C16H32N2O3/c17-13-9-5-6-10-14-18-15(19)11-7-3-1-2-4-8-12-16(20)21/h1-14,17H2,(H,18,19)(H,20,21)


name: Olcegepant
cas: 204697-65-4
dtxsid: DTXSID10174443
formula: C38H47Br2N9O5
inchikey: ITIXDWVDFFXNEG-JHOUSYSJSA-N
norman_susdat_id: NS00073138
pubchem_cid: 6918509
inchi:
InChI=1S/C38H47Br2N9O5/c39-29-21-25(22-30(40)34(29)50)23-33(45-37(53)48-15-10-28(11-16-48)49-24-26-5-1-2-6-31(26)44-38(49)54)35(51)43-32(7-3-4-12-41)36(52)47-19-17-46(18-20-47)27-8-13-42-14-9-27/h1-2,5-6,8-9,13-14,21-22,28,32-33,50H,3-4,7,10-12,15-20,23-24,41H2,(H,43,51)(H,44,54)(H,45,53)/t32-,33+/m0/s1

smiles:
NCCCC[C@H](NC(=O)[C@@H](Cc1cc(Br)c(O)c(Br)c1)NC(=O)N1CCC(N2Cc3ccccc3NC2=O)CC1)C(=O)N1CCN(c2ccncc2)CC1


name: Davanone D
cas: 20482-11-5
chemspiderid: 453393
dtxsid: DTXSID70174449
formula: C15H24O2
inchikey: FJKKZNIYYVEYOL-SNPRPXQTSA-N
norman_susdat_id: NS00094768
pubchem_cid: 519782
smiles: C[C@@H]([C@@H]1CC[C@@](C)(O1)C=C)C(=O)CC=C(C)C
inchi:
InChI=1S/C15H24O2/c1-6-15(5)10-9-14(17-15)12(4)13(16)8-7-11(2)3/h6-7,12,14H,1,8-10H2,2-5H3/t12-,14+,15+/m1/s1


name: Valylproline
cas: 20488-27-1
chebiid: CHEBI:73701
chemspiderid: 126137
formula: C10H18N2O3
inchikey: GIAZPLMMQOERPN-YUMQZZPRSA-N
norman_susdat_id: NS00014986
pubchem_cid: NA
smiles: CC(C)C(C(=O)N1CCCC1C(=O)O)N
inchi:
InChI=1S/C10H18N2O3/c1-6(2)8(11)9(13)12-5-3-4-7(12)10(14)15/h6-8H,3-5,11H2,1-2H3,(H,14,15)/t7-,8-/m0/s1


name: Dihydronootkatone
cas: 20489-53-6
chemspiderid: 23350277
dtxsid: DTXSID30174460
formula: C15H24O1
inchikey: NMALGKNZYKRHCE-CXTNEJHOSA-N
norman_susdat_id: NS00021833
pubchem_cid: 71587038
smiles: C[C@@H]1CC(=O)C[C@@H]2CC[C@H](C[C@@]12C)C(=C)C
inchi:
InChI=1S/C15H24O/c1-10(2)12-5-6-13-8-14(16)7-11(3)15(13,4)9-12/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15+/m1/s1


name: 2-chloro-5-isocyanato-benzoic acid 1-allyloxycarbonyl-1-methyl-ethyl ester
cas: 204918-22-9
chemspiderid: 9111452
formula: C15H14Cl1N1O5
inchikey: PKFZJUHXBJIMRW-UHFFFAOYSA-N
norman_susdat_id: NS00004510
pubchem_cid: 10936216
smiles: CC(C)(OC(=O)c1cc(ccc1Cl)N=C=O)C(=O)OCC=C
inchi:
InChI=1S/C15H14ClNO5/c1-4-7-21-14(20)15(2,3)22-13(19)11-8-10(17-9-18)5-6-12(11)16/h4-6,8H,1,7H2,2-3H3


name: N,N'-bis(Perfluorononanoyl)1,12-dodecandiamine
cas: 204922-38-3
dtxsid: DTXSID80897152
formula: C30H26F34N2O2
inchikey: RYMJFSVRYUFPPM-UHFFFAOYSA-N
norman_susdat_id: NS00111860
inchi:
InChI=1S/C30H26F34N2O2/c31-15(32,17(35,36)19(39,40)21(43,44)23(47,48)25(51,52)27(55,56)29(59,60)61)13(67)65-11-9-7-5-3-1-2-4-6-8-10-12-66-14(68)16(33,34)18(37,38)20(41,42)22(45,46)24(49,50)26(53,54)28(57,58)30(62,63)64/h1-12H2,(H,65,67)(H,66,68)

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(=O)NCCCCCCCCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: 2-(3-benzyl-4-hydroxy-3,4-dihydro-2h-1-benzopyran-7-yl)-4-(trifluoromethyl)benzoic acid
cas: 204981-48-6
formula: C24H19F3O4
inchikey: NZQDWKCNBOELAI-KSFYIVLOSA-N
norman_susdat_id: NS00069882
pubchem_cid: 9823886
smiles: O=C(O)c1ccc(C(F)(F)F)cc1-c1ccc2c(c1)OC[C@H](Cc1ccccc1)[C@H]2O
inchi:
InChI=1S/C24H19F3O4/c25-24(26,27)17-7-9-18(23(29)30)20(12-17)15-6-8-19-21(11-15)31-13-16(22(19)28)10-14-4-2-1-3-5-14/h1-9,11-12,16,22,28H,10,13H2,(H,29,30)/t16-,22+/m0/s1


name: 4-[(2,4-dihydroxyphenyl)azo]benzenesulphonic acid
cas: 2050-34-2
formula: C12H10N2O5S
inchikey: MHKGJUOEEHNBLE-UHFFFAOYSA-N
norman_susdat_id: NS00082330
smiles: Oc2cc(O)ccc2N=Nc1ccc(cc1)S(O)(=O)=O
inchi:
InChI=1/C12H10N2O5S/c15-9-3-6-11(12(16)7-9)14-13-8-1-4-10(5-2-8)20(17,18)19/h1-7,15-16H,(H,17,18,19)


name: Talatisamine
cas: 20501-56-8
chebiid: CHEBI:9392
chemspiderid: 441761
formula: C24H39NO5
inchikey: BDCURAWBZJMFIK-FLDLCTCNSA-N
norman_susdat_id: NS00094346
pubchem_cid: 390361
smiles:
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@@H](C31)[C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6O)OC)O)OC)COC


name: trans,trans-1,3-Bis(4-methoxybenzylidene) acetone
cas: 2051-07-2
chemspiderid: 91457
formula: C19H18O3
inchikey: IOZVKDXPBWBUKY-LQIBPGRFSA-N
norman_susdat_id: NS00015744
pubchem_cid: 715840
smiles: COC1=CC=C(C=C1)C=CC(=O)C=CC2=CC=C(C=C2)OC
inchi:
InChI=1S/C19H18O3/c1-21-18-11-5-15(6-12-18)3-9-17(20)10-4-16-7-13-19(22-2)14-8-16/h3-14H,1-2H3/b9-3+,10-4+


name: Abt-773
cas: 205110-48-1
dtxsid: DTXSID00870225
formula: C42H59N3O10
inchikey: PENDGIOBPJLVBT-ONLVEXIXSA-N
norman_susdat_id: NS00070486
pubchem_cid: 447451
inchi:
InChI=1S/C42H59N3O10/c1-11-32-42(8)36(44-40(50)55-42)25(4)33(46)23(2)21-41(7,51-18-14-15-28-20-29-16-12-13-17-30(29)43-22-28)37(26(5)34(47)27(6)38(49)53-32)54-39-35(48)31(45(9)10)19-24(3)52-39/h12-17,20,22-27,31-32,35-37,39,48H,11,18-19,21H2,1-10H3,(H,44,50)/b15-14+/t23-,24-,25+,26+,27-,31+,32-,35-,36-,37-,39+,41-,42-/m1/s1

smiles:
CC[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC/C=C/c2cnc3ccccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@H]2NC(=O)O[C@]12C


name: Cimicifugic acid A
cas: 205114-65-4
formula: C21H20O11
inchikey: LIJMMUDJSMCVDJ-ZHBFVYIWSA-N
norman_susdat_id: NS00097181
smiles: COC1=C(C=CC(=C1)/C=C/C(=O)O[C@H](C(=O)O)[C@](CC2=CC(=C(C=C2)O)O)(C(=O)O)O)O
inchi:
InChI=1S/C21H20O11/c1-31-16-9-11(2-6-14(16)23)4-7-17(25)32-18(19(26)27)21(30,20(28)29)10-12-3-5-13(22)15(24)8-12/h2-9,18,22-24,30H,10H2,1H3,(H,26,27)(H,28,29)/b7-4+/t18-,21-/m1/s1


name: Cimicifugic acid B
cas: 205114-66-5
formula: C21H20O11
inchikey: YVHLLZXSGPDXOA-ZHBFVYIWSA-N
norman_susdat_id: NS00097328
smiles: COC1=C(C=C(C=C1)/C=C/C(=O)O[C@H](C(=O)O)[C@](CC2=CC(=C(C=C2)O)O)(C(=O)O)O)O
inchi:
InChI=1S/C21H20O11/c1-31-16-6-3-11(8-15(16)24)4-7-17(25)32-18(19(26)27)21(30,20(28)29)10-12-2-5-13(22)14(23)9-12/h2-9,18,22-24,30H,10H2,1H3,(H,26,27)(H,28,29)/b7-4+/t18-,21-/m1/s1


name: Diisopropyl(propan-2-olato)aluminium
cas: 2051-60-3
formula: C11H25AlO
inchikey: YFNGCPVGPCKWAL-UHFFFAOYSA-N
norman_susdat_id: NS00082778
smiles: CC(C)C[Al](CC(C)C)OC(C)C
inchi:
InChI=1/2C4H9.C3H7O.Al/c2*1-4(2)3;1-3(2)4;/h2*4H,1H2,2-3H3;3H,1-2H3;/q;;-1;+1/rC11H25AlO/c1-9(2)7-12(8-10(3)4)13-11(5)6/h9-11H,7-8H2,1-6H3


name: 3,7-dimethyl-8-(1,2,3,4-tetrahydronaphthalen-1-ylidene)octa-2,4,6-trienoic acid
cas: 205252-57-9
formula: C20H22O2
inchikey: PPGNMFUMZSAZCW-VOYUZAMQSA-N
norman_susdat_id: NS00069299
pubchem_cid: 9904203
smiles: CC(=C/C=C/C(C)=C/C(=O)O)/C=C1CCCc2ccccc21
inchi:
InChI=1S/C20H22O2/c1-15(7-5-8-16(2)14-20(21)22)13-18-11-6-10-17-9-3-4-12-19(17)18/h3-5,7-9,12-14H,6,10-11H2,1-2H3,(H,21,22)/b8-5+,15-7-,16-14+,18-13+


name: Sulphosuccinic acid, sodium salt
cas: 20526-58-3
formula: C4H6O7S.xNa
inchikey: WQQPDTLGLVLNOH-UHFFFAOYSA-M
norman_susdat_id: NS00084506
smiles: OC(=O)CC(C(=O)O)S(=O)(=O)O[Na]
inchi:
InChI=1/C4H6O7S.Na/c5-3(6)1-2(4(7)8)12(9,10)11;/h2H,1H2,(H,5,6)(H,7,8)(H,9,10,11);/q;+1/p-1/rC4H5NaO7S/c5-12-13(10,11)2(4(8)9)1-3(6)7/h2H,1H2,(H,6,7)(H,8,9)


name: Papaverine hydrogen sulphate
cas: 2053-26-1
formula: C20H21NO4.H2O4S
inchikey: KYFCEOITJFJQGT-UHFFFAOYSA-N
norman_susdat_id: NS00082047
smiles: COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC.OS(=O)(=O)O
inchi:
InChI=1/C20H21NO4.H2O4S/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;1-5(2,3)4/h5-8,10-12H,9H2,1-4H3;(H2,1,2,3,4)


name: N-[1-phenyl-3-piperidinopropyl]benzamide
cas: 20537-22-8
dtxsid: DTXSID20942711
formula: C21H26N2O
inchikey: LFWBLDXRNPQFIF-UHFFFAOYSA-N
norman_susdat_id: NS00050997
pubchem_cid: 45177
smiles: O=C(NC(C=1C=CC=CC1)CCN2CCCCC2)C=3C=CC=CC3
inchi:
InChI=1/C21H26N2O/c24-21(19-12-6-2-7-13-19)22-20(18-10-4-1-5-11-18)14-17-23-15-8-3-9-16-23/h1-2,4-7,10-13,20H,3,8-9,14-17H2,(H,22,24)


name: 2,4,8,10-Tetraoxa-3,9-diphosphaspiro[5.5]undecane, 3,9-bis(phenylmethyl)-, 3,9-dioxide
cas: 20544-37-0
chemspiderid: 79930
dtxsid: DTXSID9066623
formula: C19H22O6P2
inchikey: XRBKIMPIQSGVAO-UHFFFAOYSA-N
norman_susdat_id: NS00026680
pubchem_cid: 88587
smiles: O=P1(Cc2ccccc2)OCC2(CO1)COP(=O)(Cc1ccccc1)OC2
inchi:
InChI=1S/C19H22O6P2/c20-26(11-17-7-3-1-4-8-17)22-13-19(14-23-26)15-24-27(21,25-16-19)12-18-9-5-2-6-10-18/h1-10H,11-16H2/t19-,26-,27-/m0/s1


name: Paederoside
cas: 20547-45-9
chemspiderid: 290675
dtxsid: DTXSID50942724
formula: C18H22O11S
inchikey: OJISWUQNQQWEND-UHFFFAOYSA-N
norman_susdat_id: NS00067911
pubchem_cid: 442432
inchi:
InChI=1S/C18H22O11S/c1-30-18(24)26-4-6-2-8-11-7(15(23)27-8)5-25-16(10(6)11)29-17-14(22)13(21)12(20)9(3-19)28-17/h2,5,8-14,16-17,19-22H,3-4H2,1H3


name: 1,2-ethanediyl dimethyl phthalate
cas: 2055-00-7
dtxsid: DTXSID30942727
formula: C20H18O8
inchikey: VMTRIKRTABFUOS-UHFFFAOYSA-N
norman_susdat_id: NS00045974
pubchem_cid: 74926
smiles: O=C(OC)C=1C=CC=CC1C(=O)OCCOC(=O)C=2C=CC=CC2C(=O)OC
inchi:
InChI=1/C20H18O8/c1-25-17(21)13-7-3-5-9-15(13)19(23)27-11-12-28-20(24)16-10-6-4-8-14(16)18(22)26-2/h3-10H,11-12H2,1-2H3


name: Dimethyl-methylene-blahone
cas: 20554-84-1
chebiid: CHEBI:93729
dtxsid: DTXSID30860250
formula: C15H20O3
inchikey: KTEXNACQROZXEV-PWNZVWSESA-N
norman_susdat_id: NS00070547
pubchem_cid: 108068
smiles: C=C1C(=O)O[C@H]2[C@H]1CCC(C)=CCC[C@@]1(C)O[C@@H]21
inchi:
InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/t11-,12-,13-,15+/m0/s1


name: Dibutylbis[(p-tert-butylbenzoyl)oxy]stannane
cas: 20556-89-2
formula: C30H44O4Sn
inchikey: YNCQGWVMWXCNKY-UHFFFAOYSA-L
norman_susdat_id: NS00050585
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)C1=CC=C(C=C1)C(C)(C)C)(CCCC)CCCC)C2=CC=C(C=C2)C(C)(C)C
inchi:
InChI=1/2C11H14O2.2C4H9.Sn/c2*1-11(2,3)9-6-4-8(5-7-9)10(12)13;2*1-3-4-2;/h2*4-7H,1-3H3,(H,12,13);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC30H44O4Sn/c1-9-11-21-35(22-12-10-2,33-27(31)23-13-17-25(18-14-23)29(3,4)5)34-28(32)24-15-19-26(20-16-24)30(6,7)8/h13-20H,9-12,21-22H2,1-8H3


name: Retinyl pivalate
cas: 20559-05-1
formula: C25H36O3
inchikey: JDDHKPUXAFLVMW-JPYACPPYSA-N
norman_susdat_id: NS00051056
pubchem_cid: 17957647
smiles: O=C(OC(=O)C(C)(C)C)C=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C
inchi:
InChI=1/C25H36O3/c1-18(14-15-21-20(3)13-10-16-25(21,7)8)11-9-12-19(2)17-22(26)28-23(27)24(4,5)6/h9,11-12,14-15,17H,10,13,16H2,1-8H3


name: Oxibendazole
cas: 20559-55-1
chebiid: CHEBI:92907
chemspiderid: 4461
dtxsid: DTXSID5045625
formula: C12H15N3O3
inchikey: RAOCRURYZCVHMG-UHFFFAOYSA-N
norman_susdat_id: NS00003293
pubchem_cid: 4622
smiles: CCCOc1ccc2nc(NC(=O)OC)[nH]c2c1
inchi:
InChI=1S/C12H15N3O3/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)


name: Deoxycytidine triphosphate (DCTP)
cas: 2056-98-6
chebiid: CHEBI:16311
chemspiderid: 605
formula: C9H16N3O13P3
inchikey: RGWHQCVHVJXOKC-SHYZEUOFSA-N
norman_susdat_id: NS00014816
pubchem_cid: 65091
smiles: C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
inchi:
InChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1


name: alpha-Solanine
cas: 20562-02-1
chemspiderid: 28033
dtxsid: DTXSID9030707
formula: C45H73NO15
inchikey: ZGVSETXHNHBTRK-WWELWOLRSA-N
norman_susdat_id: NS00094845
pubchem_cid: 30185
inchi:
InChI=1S/C45H73NO15/c1-19-6-9-27-20(2)31-28(46(27)16-19)15-26-24-8-7-22-14-23(10-12-44(22,4)25(24)11-13-45(26,31)5)57-43-40(61-41-37(54)35(52)32(49)21(3)56-41)39(34(51)30(18-48)59-43)60-42-38(55)36(53)33(50)29(17-47)58-42/h7,19-21,23-43,47-55H,6,8-18H2,1-5H3/t19-,20+,21-,23?,24+,25-,26-,27+,28-,29+,30+,31-,32-,33+,34-,35+,36-,37+,38+,39-,40+,41+,42-,43+,44-,45-/m0/s1

smiles:
C[C@@H]1[C@H]2CC[C@H](C)CN2[C@H]2C[C@H]3[C@@H]4CC=C5CC(CC[C@]5(C)[C@H]4CC[C@]3(C)[C@@H]12)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H]1O[C@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O


name: alpha-Chaconine
cas: 20562-03-2
chebiid: CHEBI:10219
chemspiderid: 442971
formula: C45H73NO14
inchikey: TYNQWWGVEGFKRU-AJDPQWBVSA-N
norman_susdat_id: NS00094322
pubchem_cid: 391274
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[C@H]8[C@@H]([C@@H]([C@H]([C@@H](O8)C)O)O)O)O)O[C@H]9[C@@H]([C@@H]([C@H]([C@@H](O9)C)O)O)O)C)C)C


name: Copper(1+) stearate
cas: 20563-00-2
formula: C18H36O2.Cu
inchikey: FPHREELHOCEQEA-UHFFFAOYSA-M
norman_susdat_id: NS00084768
smiles: [Cu+].CCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H36O2.Cu/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1


name: (Z)-N-[2-[2-(8-heptadecenyl)-4,5-dihydro-1H-imidazol-1-yl]ethyl]ethylenediamine
cas: 20565-76-8
formula: C24H48N4
inchikey: SYNVBUPZJKYKQJ-KTKRTIGZSA-N
norman_susdat_id: NS00084267
smiles: CCCCCCCC\C=C/CCCCCCCC1=NCCN1CCNCCN
inchi:
InChI=1/C24H48N4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-27-21-23-28(24)22-20-26-19-18-25/h9-10,26H,2-8,11-23,25H2,1H3


name: Fipronil-desulfinyl
cas: 205650-65-3
chebiid: CHEBI:83489
chemspiderid: 11542895
dtxsid: DTXSID0043719
formula: C12H4Cl2F6N4
inchikey: JWKXVHLIRTVXLD-UHFFFAOYSA-N
norman_susdat_id: NS00000352
pubchem_cid: 22673275
smiles: C1=C(C=C(C(=C1Cl)N2C(=C(C(=N2)C#N)C(F)(F)F)N)Cl)C(F)(F)F
inchi:
InChI=1S/C12H4Cl2F6N4/c13-5-1-4(11(15,16)17)2-6(14)9(5)24-10(22)8(12(18,19)20)7(3-21)23-24/h1-2H,22H2


name: Fipronil amide
cas: 205650-69-7
chemspiderid: 8109318
dtxsid: DTXSID60873419
formula: C12H6Cl2F6N4O2S1
inchikey: OPPWTDFHAFPGOT-UHFFFAOYSA-N
norman_susdat_id: NS00003661
pubchem_cid: 9933690
smiles: NC(=O)c1nn(c(N)c1S(=O)C(F)(F)F)-c1c(Cl)cc(cc1Cl)C(F)(F)F
inchi:
InChI=1S/C12H6Cl2F6N4O2S/c13-4-1-3(11(15,16)17)2-5(14)7(4)24-9(21)8(6(23-24)10(22)25)27(26)12(18,19)20/h1-2H,21H2,(H2,22,25)


name: 2-(2-Hydroxyethoxy)ethyl 2-hydroxypropyl 3,4,5,6-tetrabromophthalate
cas: 20566-35-2
chemspiderid: 80635
dtxsid: DTXSID60864948
formula: C15H16Br4O7
inchikey: OQHHASWHOGRCRC-UHFFFAOYSA-N
norman_susdat_id: NS00005838
pubchem_cid: 89352
smiles: CC(O)COC(=O)c1c(Br)c(Br)c(Br)c(Br)c1C(=O)OCCOCCO
inchi:
InChI=1S/C15H16Br4O7/c1-7(21)6-26-15(23)9-8(10(16)12(18)13(19)11(9)17)14(22)25-5-4-24-3-2-20/h7,20-21H,2-6H2,1H3


cas: 20568-80-3
dtxsid: DTXSID4066626
formula: C33H27ClN4O6
inchikey: GFUUQWOLOCOGLJ-UHFFFAOYSA-N
norman_susdat_id: NS00050600
pubchem_cid: NA
smiles: O=C(NC=1C=CC=CC1)C2=CC=C(OC)C(N=NC3=C(O)C(=CC=4C=CC=CC43)C(=O)NC5=CC(Cl)=C(OC)C=C5OC)=C2
name:
2-Naphthalenecarboxamide, N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-[(phenylamino)carbonyl]phenyl]azo]-

inchi:
InChI=1/C33H27ClN4O6/c1-42-27-14-13-20(32(40)35-21-10-5-4-6-11-21)16-26(27)37-38-30-22-12-8-7-9-19(22)15-23(31(30)39)33(41)36-25-17-24(34)28(43-2)18-29(25)44-3/h4-18,39H,1-3H3,(H,35,40)(H,36,41)


name: 4-[3-Phenyl-1-(2-phenylethyl)propyl]pyridine
cas: 2057-47-8
chemspiderid: 67497
dtxsid: DTXSID7062160
formula: C22H23N1
inchikey: RWNXMNLTEMDVIG-UHFFFAOYSA-N
norman_susdat_id: NS00026690
pubchem_cid: 74936
smiles: C(Cc1ccccc1)C(CCc1ccccc1)c1ccncc1
inchi:
InChI=1S/C22H23N/c1-3-7-19(8-4-1)11-13-21(22-15-17-23-18-16-22)14-12-20-9-5-2-6-10-20/h1-10,15-18,21H,11-14H2


name: 1,1'-[6-(pyren-2-yl)-1,3,5-triazine-2,4-diyl]bis(2-naphthol)
cas: 20572-37-6
formula: C39H23N3O2
inchikey: JZVCGHFXWNOTKM-UHFFFAOYSA-N
norman_susdat_id: NS00050601
pubchem_cid: 88599
smiles: OC1=CC=C2C=CC=CC2=C1C3=NC(=NC(=N3)C=4C(O)=CC=C5C=CC=CC54)C=6C=C7C=CC8=CC=CC=9C=CC(C6)=C7C89
inchi:
InChI=1/C39H23N3O2/c43-31-18-16-22-6-1-3-10-29(22)35(31)38-40-37(41-39(42-38)36-30-11-4-2-7-23(30)17-19-32(36)44)28-20-26-14-12-24-8-5-9-25-13-15-27(21-28)34(26)33(24)25/h1-21,43-44H


name: rac 8-Hydroxy Efavirenz
cas: 205754-32-1
chemspiderid: 8016257
formula: C14H9Cl1F3N1O3
inchikey: OOVOMPCQLMFEDT-UHFFFAOYSA-N
norman_susdat_id: NS00009526
pubchem_cid: 9840539
smiles: Oc1cc(Cl)cc2c1NC(=O)OC2(C#CC1CC1)C(F)(F)F
inchi:
InChI=1S/C14H9ClF3NO3/c15-8-5-9-11(10(20)6-8)19-12(21)22-13(9,14(16,17)18)4-3-7-1-2-7/h5-7,20H,1-2H2,(H,19,21)


name: Disodium 4,4'-bis[(4-amino-6-anilino-1,3,5-triazin-2-yl)amino]stilbene-2,2'-disulphonate
cas: 20579-01-5
formula: C32H28N12O6S2
inchikey: XTYKHCPNKDNILW-YHPRVSEPSA-L
norman_susdat_id: NS00050602
pubchem_cid: 53428455
inchi:
InChI=1/C32H28N12O6S2.2Na/c33-27-39-29(35-21-7-3-1-4-8-21)43-31(41-27)37-23-15-13-19(25(17-23)51(45,46)47)11-12-20-14-16-24(18-26(20)52(48,49)50)38-32-42-28(34)40-30(44-32)36-22-9-5-2-6-10-22;;/h1-18H,(H,45,46,47)(H,48,49,50)(H4,33,35,37,39,41,43)(H4,34,36,38,40,42,44);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(=CC=C1C=CC2=CC=C(C=C2S(=O)(=O)[O-])NC=3N=C(N=C(N3)NC=4C=CC=CC4)N)NC=5N=C(N=C(N5)NC=6C=CC=CC6)N


name: 1-Amino-4-nitroanthraquinone-2-carboxylic acid
cas: 2058-02-8
chemspiderid: 4514354
dtxsid: DTXSID30174586
formula: C15H8N2O6
inchikey: SSLUBNFUCQBYTP-UHFFFAOYSA-N
norman_susdat_id: NS00026693
pubchem_cid: 5359678
smiles: Nc1c(cc(c2c1C(=O)c1c(cccc1)C2=O)[N+](=O)[O-])C(=O)O
inchi:
InChI=1S/C15H8N2O6/c16-12-8(15(20)21)5-9(17(22)23)10-11(12)14(19)7-4-2-1-3-6(7)13(10)18/h1-5H,16H2,(H,20,21)


name: Oxytetracycline hydrochloride
cas: 2058-46-0
chebiid: CHEBI:31953
formula: C22H24N2O9.ClH
inchikey: UBDNTYUBJLXUNN-IFLJXUKPSA-N
norman_susdat_id: NS00082048
smiles: Cl.CN(C)[C@H]1[C@@H]2[C@@H](O)[C@H]3C(=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N)C(=O)c4c(O)cccc4[C@@]3(C)O
inchi:
InChI=1/C22H24N2O9.ClH/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);1H


name: Clothiapine
cas: 2058-52-8
chebiid: CHEBI:31424
chemspiderid: 15510
dtxsid: DTXSID5022851
formula: C18H18Cl1N3S1
inchikey: KAAZGXDPUNNEFN-UHFFFAOYSA-N
norman_susdat_id: NS00004358
pubchem_cid: 16351
smiles: CN1CCN(CC1)C1=Nc2ccccc2Sc2ccc(Cl)cc12
inchi:
InChI=1S/C18H18ClN3S/c1-21-8-10-22(11-9-21)18-14-12-13(19)6-7-16(14)23-17-5-3-2-4-15(17)20-18/h2-7,12H,8-11H2,1H3


name: Perfluoroundecanoic acid (PFUdA)
cas: 2058-94-8
chebiid: CHEBI:83493
chemspiderid: 69649
dtxsid: DTXSID8047553
formula: C11H1F21O2
inchikey: SIDINRCMMRKXGQ-UHFFFAOYSA-N
norman_susdat_id: NS00000370
pubchem_cid: 77222
smiles: OC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C11HF21O2/c12-2(13,1(33)34)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)32/h(H,33,34)


name: 1-ethyl-2-[3-(1-ethyl-4(1H)-quinolylidene)prop-1-enyl]quinolinium iodide
cas: 20591-23-5
dtxsid: DTXSID50885142
formula: C25H25N2
inchikey: AIUPVZRNWAATQJ-UHFFFAOYSA-M
norman_susdat_id: NS00050603
pubchem_cid: NA
smiles: [I-].C=1C=CC2=C(C1)C=CC(C=CC=C3C=CN(C=4C=CC=CC34)CC)=[N+]2CC
inchi:
InChI=1/C25H25N2.HI/c1-3-26-19-18-20(23-13-6-8-15-25(23)26)11-9-12-22-17-16-21-10-5-7-14-24(21)27(22)4-2;/h5-19H,3-4H2,1-2H3;1H/q+1;/p-1


name: Estra-1,3,5(10),16-tetraene-3,17-diol diacetate
cas: 20592-42-1
dtxsid: DTXSID30942782
formula: C22H26O4
inchikey: KPJNGUPMJAHAND-JBPLPALLSA-N
norman_susdat_id: NS00050604
pubchem_cid: 12598316
smiles: O=C(OC1=CC=C2C(=C1)CCC3C2CCC4(C(OC(=O)C)=CCC34)C)C
inchi:
InChI=1/C22H26O4/c1-13(23)25-16-5-7-17-15(12-16)4-6-19-18(17)10-11-22(3)20(19)8-9-21(22)26-14(2)24/h5,7,9,12,18-20H,4,6,8,10-11H2,1-3H3


name: [nitrilotris(methylene)]trisphosphonic acid, sodium salt
cas: 20592-85-2
formula: C3H12NO9P3.xNa
inchikey: RCUMDGGJOOTRBS-UHFFFAOYSA-M
norman_susdat_id: NS00084769
smiles: [Na+].OP(=O)(O)CN(CP(=O)(O)O)CP(=O)(O)[O-]
inchi:
InChI=1/C3H12NO9P3.Na/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);/q;+1/p-1


name: Dimethenamide ESA
cas: 205939-58-8
chebiid: CHEBI:83461
chemspiderid: 4932270
dtxsid: DTXSID50891445
formula: C12H19N1O5S2
inchikey: YMYKMSAZEZQEER-UHFFFAOYSA-N
norman_susdat_id: NS00000242
pubchem_cid: 6426850
smiles: S(C=C1C)C(C)=C1N(C(=O)CS(=O)(=O)O)C(COC)C
eea_notation: CAS_205939-58-8
inchi:
InChI=1S/C12H19NO5S2/c1-8-6-19-10(3)12(8)13(9(2)5-18-4)11(14)7-20(15,16)17/h6,9H,5,7H2,1-4H3,(H,15,16,17)


name: Nalbuphine
cas: 20594-83-6
chebiid: CHEBI:7454
chemspiderid: 4470813
dtxsid: DTXSID8023345
formula: C21H27N1O4
inchikey: NETZHAKZCGBWSS-CEDHKZHLSA-N
norman_susdat_id: NS00008318
pubchem_cid: 5311304
smiles: O[C@H]1CC[C@@]2(O)[C@H]3Cc4ccc(O)c5O[C@@H]1[C@]2(CCN3CC1CCC1)c45
inchi:
InChI=1S/C21H27NO4/c23-14-5-4-13-10-16-21(25)7-6-15(24)19-20(21,17(13)18(14)26-19)8-9-22(16)11-12-2-1-3-12/h4-5,12,15-16,19,23-25H,1-3,6-11H2/t15-,16+,19-,20-,21+/m0/s1


name: Luotonin A
cas: 205989-12-4
chebiid: CHEBI:172341
chemspiderid: 8509579
formula: C18H11N3O1
inchikey: LUMDXNLBIYLTER-UHFFFAOYSA-N
norman_susdat_id: NS00018356
pubchem_cid: 10334120
smiles: C1C2=CC3=CC=CC=C3N=C2C4=NC5=CC=CC=C5C(=O)N41
inchi:
InChI=1S/C18H11N3O/c22-18-13-6-2-4-8-15(13)20-17-16-12(10-21(17)18)9-11-5-1-3-7-14(11)19-16/h1-9H,10H2


cas: 206009-80-5
dtxsid: DTXSID90883066
norman_susdat_id: NS00112039
name:
Amines, C12-14-tert-alkyl, compds. with .gamma.-.omega.-perfluoro-C6-12-alkyl dihydrogen phosphate (1:1)


cas: 206009-81-6
dtxsid: DTXSID80883055
norman_susdat_id: NS00111692
name:
Amines, C12-14-tert-alkyl, compds. with bis(.gamma.-.omega.-perfluoro-C6-12-alkyl) hydrogen phosphate (1:1)


name: CHEMBL32362
cas: 20601-85-8
chemspiderid: 4479487
dtxsid: DTXSID30415784
formula: C18H22O2
inchikey: OYAQUBKYAKSHOA-UHFFFAOYSA-N
norman_susdat_id: NS00018026
pubchem_cid: 5321851
smiles: CCCC1=CC(=C(C=C1)O)C2=C(C=CC(=C2)CCC)O
inchi:
InChI=1S/C18H22O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h7-12,19-20H,3-6H2,1-2H3


name: CHEMBL184786
cas: 206052-03-1
chemspiderid: 9387723
dtxsid: DTXSID70458933
formula: C13H23Br2N1O3S1
inchikey: BDCZFOHEQGRTBW-UHFFFAOYSA-N
norman_susdat_id: NS00016780
pubchem_cid: 11212661
smiles: CS(=O)(=O)NC(=O)CCCCCCCCCC=C(Br)Br
inchi:
InChI=1S/C13H23Br2NO3S/c1-20(18,19)16-13(17)11-9-7-5-3-2-4-6-8-10-12(14)15/h10H,2-9,11H2,1H3,(H,16,17)


name: (3beta,5alpha,8alpha,22E)-5,8-Epidioxyergosta-6,22-dien-3-ol
cas: 2061-64-5
formula: C28H44O3
inchikey: VXOZCESVZIRHCJ-PHICIKCOSA-N
norman_susdat_id: NS00097199
smiles: C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CCC2[C@@]1(CCC3[C@]24C=C[C@@]5([C@@]3(CC[C@@H](C5)O)C)OO4)C
inchi:
InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23?,24?,25+,26+,27+,28-/m0/s1


name: 17-methylandrost-5-ene-(3ß,17ß)-diol diacetate
cas: 2061-86-1
dtxsid: DTXSID80942797
formula: C24H36O4
inchikey: HHCVPHSEENQSLU-UHFFFAOYSA-N
norman_susdat_id: NS00046522
pubchem_cid: NA
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C3CCC4(OC(=O)C)C)C2(C)CC1)C
inchi:
InChI=1/C24H36O4/c1-15(25)27-18-8-11-22(3)17(14-18)6-7-19-20(22)9-12-23(4)21(19)10-13-24(23,5)28-16(2)26/h6,18-21H,7-14H2,1-5H3


name: (r)-3-bromo-2-hydroxy-2-methyl-n-(4-nitro-3-(trifluoromethyl)phenyl)propanamide
cas: 206193-18-2
dtxsid: DTXSID10942806
formula: C11H10BrF3N2O4
inchikey: QDSWNDMHSBZXKX-JTQLQIEISA-N
norman_susdat_id: NS00070930
pubchem_cid: 5287785
smiles: C[C@](O)(CBr)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1
inchi:
InChI=1S/C11H10BrF3N2O4/c1-10(19,5-12)9(18)16-6-2-3-8(17(20)21)7(4-6)11(13,14)15/h2-4,19H,5H2,1H3,(H,16,18)/t10-/m0/s1


name: Trifluperidol hydrochloride
cas: 2062-77-3
formula: C22H23F4NO2.ClH
inchikey: VYGQXRZAHIZHQV-UHFFFAOYSA-N
norman_susdat_id: NS00081746
smiles: Cl.OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c3cccc(c3)C(F)(F)F
inchi:
InChI=1/C22H23F4NO2.ClH/c23-19-8-6-16(7-9-19)20(28)5-2-12-27-13-10-21(29,11-14-27)17-3-1-4-18(15-17)22(24,25)26;/h1,3-4,6-9,15,29H,2,5,10-14H2;1H


name: Pimozide
cas: 2062-78-4
chebiid: CHEBI:8212
chemspiderid: 15520
dtxsid: DTXSID8023474
formula: C28H29F2N3O1
inchikey: YVUQSNJEYSNKRX-UHFFFAOYSA-N
norman_susdat_id: NS00003971
pubchem_cid: 16362
smiles: Fc1ccc(cc1)C(CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O)c1ccc(F)cc1
inchi:
InChI=1S/C28H29F2N3O/c29-22-11-7-20(8-12-22)25(21-9-13-23(30)14-10-21)4-3-17-32-18-15-24(16-19-32)33-27-6-2-1-5-26(27)31-28(33)34/h1-2,5-14,24-25H,3-4,15-19H2,(H,31,34)


name: Benperidol
cas: 2062-84-2
chebiid: CHEBI:93403
chemspiderid: 15521
dtxsid: DTXSID7045364
formula: C22H24F1N3O2
inchikey: FEBOTPHFXYHVPL-UHFFFAOYSA-N
norman_susdat_id: NS00007897
pubchem_cid: 16363
smiles: Fc1ccc(cc1)C(=O)CCCN1CCC(CC1)n1c2ccccc2[nH]c1=O
inchi:
InChI=1S/C22H24FN3O2/c23-17-9-7-16(8-10-17)21(27)6-3-13-25-14-11-18(12-15-25)26-20-5-2-1-4-19(20)24-22(26)28/h1-2,4-5,7-10,18H,3,6,11-15H2,(H,24,28)


name: Levovirin
cas: 206269-27-4
dtxsid: DTXSID90174648
formula: C8H12N4O5
inchikey: IWUCXVSUMQZMFG-RGDLXGNYSA-N
norman_susdat_id: NS00068415
pubchem_cid: 460516
smiles: NC(=O)c1ncn([C@H]2O[C@@H](CO)[C@H](O)[C@@H]2O)n1
inchi:
InChI=1S/C8H12N4O5/c9-6(16)7-10-2-12(11-7)8-5(15)4(14)3(1-13)17-8/h2-5,8,13-15H,1H2,(H2,9,16)/t3-,4-,5-,8-/m0/s1


name: Octadecyl 3-amino-2-butenoate
cas: 20634-52-0
dtxsid: DTXSID00942830
formula: C22H43NO2
inchikey: IKUBTICTFSSHQW-UHFFFAOYSA-N
norman_susdat_id: NS00051451
pubchem_cid: 89362
smiles: O=C(OCCCCCCCCCCCCCCCCCC)C=C(N)C
inchi:
InChI=1/C22H43NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-22(24)20-21(2)23/h20H,3-19,23H2,1-2H3


name: Darunavir
cas: 206361-99-1
chebiid: CHEBI:367163
chemspiderid: 19817196
dtxsid: DTXSID0046779
formula: C27H37N3O7S1
inchikey: CJBJHOAVZSMMDJ-HEXNFIEUSA-N
norman_susdat_id: NS00000472
pubchem_cid: 213039
smiles: CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N
inchi:
InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1


name: Hydroxytrimipramine
cas: 2064-15-5
chemspiderid: 141133
dtxsid: DTXSID80942833
formula: C20H26N2O
inchikey: FQJSSUOYVSEYPF-UHFFFAOYSA-N
norman_susdat_id: NS00114038
pubchem_cid: 160610
smiles: CC(CN(C)C)CN1C2=CC=CC=C2CCC2=CC(O)=CC=C12
inchi:
InChI=1S/C20H26N2O/c1-15(13-21(2)3)14-22-19-7-5-4-6-16(19)8-9-17-12-18(23)10-11-20(17)22/h4-7,10-12,15,23H,8-9,13-14H2,1-3H3


name: Dioctyl azelate
cas: 2064-80-4
formula: C25H48O4
inchikey: XWVQUJDBOICHGH-UHFFFAOYSA-N
norman_susdat_id: NS00045975
pubchem_cid: 74943
smiles: O=C(OCCCCCCCC)CCCCCCCC(=O)OCCCCCCCC
inchi:
InChI=1/C25H48O4/c1-3-5-7-9-14-18-22-28-24(26)20-16-12-11-13-17-21-25(27)29-23-19-15-10-8-6-4-2/h3-23H2,1-2H3


name: Potassium formate(1:2)
cas: 20642-05-1
formula: CH2O2.1/2K
inchikey: OGYUSSNLNGQCRI-UHFFFAOYSA-L
norman_susdat_id: NS00084306
smiles: [KH].[O-]C=O.[O-]C=O
inchi:
InChI=1/2CH2O2.K.H/c2*2-1-3;;/h2*1H,(H,2,3);;/q;;+1;/p-2/r2CH2O2.HK/c2*2-1-3;/h2*1H,(H,2,3);1H/q;;+1/p-2


name: Tetraphenylphosphonium iodide
cas: 2065-67-0
formula: C24H20P.I
inchikey: AEFPPQGZJFTXDR-UHFFFAOYSA-M
norman_susdat_id: NS00082078
smiles: [I-].c1ccc(cc1)[P+](c2ccccc2)(c3ccccc3)c4ccccc4
inchi:
InChI=1/C24H20P.HI/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: 1-Bromo-4-(heptadecafluorooctyl)benzene
cas: 206560-77-2
dtxsid: DTXSID40399506
formula: C14H4BrF17
inchikey: XDEOJAJPLXXYKA-UHFFFAOYSA-N
norman_susdat_id: NS00110209
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=CC=C(Br)C=C1
inchi:
InChI=1S/C14H4BrF17/c15-6-3-1-5(2-4-6)7(16,17)8(18,19)9(20,21)10(22,23)11(24,25)12(26,27)13(28,29)14(30,31)32/h1-4H


name: Pasiniazid
cas: 2066-89-9
formula: C7H7NO3.C6H7N3O
inchikey: RKPHTRVPGYGVQD-UHFFFAOYSA-N
norman_susdat_id: NS00081437
smiles: NNC(=O)c1ccncc1.Nc2ccc(C(=O)O)c(O)c2
inchi:
InChI=1/C7H7NO3.C6H7N3O/c8-4-1-2-5(7(10)11)6(9)3-4;7-9-6(10)5-1-3-8-4-2-5/h1-3,9H,8H2,(H,10,11);1-4H,7H2,(H,9,10)


name: 4,4-bis(4-fluorophenyl)butyric acid
cas: 20662-52-6
dtxsid: DTXSID70174702
formula: C16H14F2O2
inchikey: CZNWJIAAVVXYFS-UHFFFAOYSA-N
norman_susdat_id: NS00051453
pubchem_cid: 88637
smiles: O=C(O)CCC(C1=CC=C(F)C=C1)C2=CC=C(F)C=C2
inchi:
InChI=1/C16H14F2O2/c17-13-5-1-11(2-6-13)15(9-10-16(19)20)12-3-7-14(18)8-4-12/h1-8,15H,9-10H2,(H,19,20)


name: Cannabichromene
cas: 20675-51-8
chebiid: CHEBI:3357
chemspiderid: 28064
formula: C21H30O2
inchikey: UVOLYTDXHDXWJU-UHFFFAOYSA-N
norman_susdat_id: NS00018065
pubchem_cid: 30219
smiles: CCCCCC1=CC2=C(C=CC(O2)(C)CCC=C(C)C)C(=C1)O
inchi:
InChI=1S/C21H30O2/c1-5-6-7-10-17-14-19(22)18-11-13-21(4,23-20(18)15-17)12-8-9-16(2)3/h9,11,13-15,22H,5-8,10,12H2,1-4H3


name: 2-(3,4-dihydroxyphenyl)-5-hydroxy-3,7-dimethoxy-4-benzopyrone
cas: 2068-02-2
chebiid: CHEBI:18010
dtxsid: DTXSID40174734
formula: C17H14O7
inchikey: LUJAXSNNYBCFEE-UHFFFAOYSA-N
norman_susdat_id: NS00045988
pubchem_cid: 5280417
smiles: O=C1C(OC)=C(OC2=CC(OC)=CC(O)=C12)C=3C=CC(O)=C(O)C3
inchi:
InChI=1/C17H14O7/c1-22-9-6-12(20)14-13(7-9)24-16(17(23-2)15(14)21)8-3-4-10(18)11(19)5-8/h3-7,18-20H,1-2H3


name: Vincristine sulfate
cas: 2068-78-2
chebiid: CHEBI:79401
dtxsid: DTXSID8044331
formula: C46H58N4O14S
inchikey: AQTQHPDCURKLKT-JKDPCDLQSA-N
norman_susdat_id: NS00076429
inchi:
InChI=1S/C46H56N4O10.H2O4S/c1-7-42(55)22-28-23-45(40(53)58-5,36-30(14-18-48(24-28)25-42)29-12-9-10-13-33(29)47-36)32-20-31-34(21-35(32)57-4)50(26-51)38-44(31)16-19-49-17-11-15-43(8-2,37(44)49)39(60-27(3)52)46(38,56)41(54)59-6;1-5(2,3)4/h9-13,15,20-21,26,28,37-39,47,55-56H,7-8,14,16-19,22-25H2,1-6H3;(H2,1,2,3,4)/t28-,37+,38-,39-,42+,43-,44-,45+,46+;/m1./s1

smiles:
OS(O)(=O)=O.CC[C@]1(O)C[C@H]2C[N@@](C1)CCC1=C(NC3=C1C=CC=C3)[C@@](C2)(C(=O)OC)C1=CC2=C(C=C1OC)N(C=O)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC


name: Bamifylline hydrochloride
cas: 20684-06-4
formula: C20H27N5O3.ClH
inchikey: PDBXHPORMXSXKO-UHFFFAOYSA-N
norman_susdat_id: NS00084296
smiles: Cl.CCN(CCO)CCn1c(Cc2ccccc2)nc3N(C)C(=O)N(C)C(=O)c13
inchi:
InChI=1/C20H27N5O3.ClH/c1-4-24(12-13-26)10-11-25-16(14-15-8-6-5-7-9-15)21-18-17(25)19(27)23(3)20(28)22(18)2;/h5-9,26H,4,10-14H2,1-3H3;1H


cas: 20685-78-3
formula: C21H23NO6
inchikey: QMSHUERTGDUVNN-UHFFFAOYSA-N
norman_susdat_id: NS00050177
pubchem_cid: NA
smiles: O=C1C=2C=CC=CC2C(O)(C)C3C1=C(O)C4(O)C(=O)C=C(O)C(N(C)C)C4C3
name:
2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-N-(1-pyrrolidinylmethyl)-, [4S-(4a,4aa,5aa,6ß,12aa)]-, mononitrate (salt)

inchi:
InChI=1/C21H23NO6/c1-20(27)11-7-5-4-6-10(11)18(25)16-12(20)8-13-17(22(2)3)14(23)9-15(24)21(13,28)19(16)26/h4-7,9,12-13,17,23,26-28H,8H2,1-3H3


name: Tariquidar
cas: 206873-63-4
dtxsid: DTXSID10174746
formula: C38H38N4O6
inchikey: LGGHDPFKSSRQNS-UHFFFAOYSA-N
norman_susdat_id: NS00069844
pubchem_cid: 148201
smiles: COc1cc2c(cc1OC)CN(CCc1ccc(NC(=O)c3cc(OC)c(OC)cc3NC(=O)c3cnc4ccccc4c3)cc1)CC2
inchi:
InChI=1S/C38H38N4O6/c1-45-33-18-25-14-16-42(23-28(25)19-34(33)46-2)15-13-24-9-11-29(12-10-24)40-38(44)30-20-35(47-3)36(48-4)21-32(30)41-37(43)27-17-26-7-5-6-8-31(26)39-22-27/h5-12,17-22H,13-16,23H2,1-4H3,(H,40,44)(H,41,43)


name: Y-700 | Niraxostat
cas: 206884-98-2
dtxsid: DTXSID70174747
formula: C16H17N3O3
inchikey: AETHRPHBGJAIBT-UHFFFAOYSA-N
norman_susdat_id: NS00068130
pubchem_cid: 449035
smiles: CC(C)(C)COc1ccc(-n2cc(C(=O)O)cn2)cc1C#N
inchi:
InChI=1S/C16H17N3O3/c1-16(2,3)10-22-14-5-4-13(6-11(14)7-17)19-9-12(8-18-19)15(20)21/h4-6,8-9H,10H2,1-3H3,(H,20,21)


name: Tryptophan amide
cas: 20696-57-5
chebiid: CHEBI:16533
dtxsid: DTXSID20874200
formula: C11H13N3O
inchikey: JLSKPBDKNIXMBS-VIFPVBQESA-N
norman_susdat_id: NS00068198
pubchem_cid: 439356
smiles: NC(=O)[C@@H](N)Cc1c[nH]c2ccccc12
inchi:
InChI=1S/C11H13N3O/c12-9(11(13)15)5-7-6-14-10-4-2-1-3-8(7)10/h1-4,6,9,14H,5,12H2,(H2,13,15)/t9-/m0/s1


cas: 207004-58-8
dtxsid: DTXSID90883021
norman_susdat_id: NS00112036
name:
Poly(difluoromethylene), .alpha.-fluoro-.omega.-[2-[(1-oxo-2-propenyl)oxy]ethyl]-, polymer with 1,1-dichlorethene


name: Neohesperidin dihydrochalcone
cas: 20702-77-6
chebiid: CHEBI:83535
chemspiderid: 28072
dtxsid: DTXSID3025706
formula: C28H36O15
inchikey: ITVGXXMINPYUHD-CUVHLRMHSA-N
norman_susdat_id: NS00000402
pubchem_cid: 30231
inchi:
InChI=1S/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1

smiles:
O([C@H]1[C@H](O[C@H]2[C@@H]([C@@H]([C@@H](O)[C@@H](O2)C)O)O)[C@H]([C@H](O)[C@H](O1)CO)O)c1cc(c(C(CCc2cc(c(OC)cc2)O)=O)c(c1)O)O


name: [ethane-1,2-diylbis[imino[(2-hydroxyphenyl)methylene]]]bisphosphonic acid
cas: 20708-36-5
dtxsid: DTXSID80942914
formula: C16H22N2O8P2
inchikey: CDUZXGZLRQGNKP-UHFFFAOYSA-N
norman_susdat_id: NS00050220
pubchem_cid: 89370
smiles: O=P(O)(O)C(NCCNC(C=1C=CC=CC1O)P(=O)(O)O)C=2C=CC=CC2O
inchi:
InChI=1/C16H22N2O8P2/c19-13-7-3-1-5-11(13)15(27(21,22)23)17-9-10-18-16(28(24,25)26)12-6-2-4-8-14(12)20/h1-8,15-20H,9-10H2,(H2,21,22,23)(H2,24,25,26)


name: Methylenebis[diphenylphosphine]
cas: 2071-20-7
dtxsid: DTXSID10174766
formula: C25H22P2
inchikey: XGCDBGRZEKYHNV-UHFFFAOYSA-N
norman_susdat_id: NS00045354
pubchem_cid: 74952
smiles: C=1C=CC(=CC1)P(C=2C=CC=CC2)CP(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C25H22P2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2


name: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodohexadecane
cas: 207122-00-7
dtxsid: DTXSID70895304
formula: C16H20F13I
inchikey: UOAVDNYZEXTDOI-UHFFFAOYSA-N
norman_susdat_id: NS00111390
smiles: CCCCCCCCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C16H20F13I/c1-2-3-4-5-6-7-8-10(30)9-11(17,18)12(19,20)13(21,22)14(23,24)15(25,26)16(27,28)29/h10H,2-9H2,1H3


name: 1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodoheptadecane
cas: 207122-01-8
dtxsid: DTXSID30895305
formula: C17H22F13I
inchikey: CMOHQCMNURTYAP-UHFFFAOYSA-N
norman_susdat_id: NS00110018
smiles: CCCCCCCCCC(I)CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C17H22F13I/c1-2-3-4-5-6-7-8-9-11(31)10-12(18,19)13(20,21)14(22,23)15(24,25)16(26,27)17(28,29)30/h11H,2-10H2,1H3


name: Disodium N-(2-carboxyethyl)-N-octadecyl-ß-alaninate
cas: 20716-30-7
dtxsid: DTXSID30942924
formula: C24H47NO4
inchikey: UHQZTMMQLDLYCG-UHFFFAOYSA-L
norman_susdat_id: NS00050221
pubchem_cid: 57357719
smiles: [Na+].[Na+].O=C([O-])CCN(CCC(=O)O)CCCCCCCCCCCCCCCCCC.O=C([O-])CCN(CCC(=O)O)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/2C24H47NO4.2Na/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-25(21-18-23(26)27)22-19-24(28)29;;/h2*2-22H2,1H3,(H,26,27)(H,28,29);;/q;;2*+1/p-2


name: Ethanol, 2,2'-[[4-[(4-aminophenyl)azo]phenyl]imino]bis-
cas: 20721-50-0
chemspiderid: 80006
dtxsid: DTXSID7066645
formula: C16H20N4O2
inchikey: NZKTVPCPQIEVQT-HNENSFHCSA-N
norman_susdat_id: NS00013635
pubchem_cid: NA
smiles: Nc1ccc(cc1)N=Nc2ccc(cc2)N(CCO)CCO
inchi:
InChI=1S/C16H20N4O2/c17-13-1-3-14(4-2-13)18-19-15-5-7-16(8-6-15)20(9-11-21)10-12-22/h1-8,21-22H,9-12,17H2


name: Diethyl[2-[3-(2-furyl)-2-(2-naphthylmethyl)propionyloxy]ethyl]ammonium hydrogen oxalate
cas: 20723-81-3
dtxsid: DTXSID60942932
formula: C24H29NO3
inchikey: MYKHJWCUMJASMK-UHFFFAOYSA-M
norman_susdat_id: NS00050727
pubchem_cid: NA
smiles: O=C([O-])C(=O)[O-].O=C(OCC[NH+](CC)CC)C(CC=1OC=CC1)CC=2C=CC=3C=CC=CC3C2
inchi:
InChI=1/C24H29NO3.C2H2O4/c1-3-25(4-2)13-15-28-24(26)22(18-23-10-7-14-27-23)17-19-11-12-20-8-5-6-9-21(20)16-19;3-1(4)2(5)6/h5-12,14,16,22H,3-4,13,15,17-18H2,1-2H3;(H,3,4)(H,5,6)/p-1


name: 2'-C-Methylcytidine
cas: 20724-73-6
dtxsid: DTXSID40174799
formula: C10H15N3O5
inchikey: PPUDLEUZKVJXSZ-VPCXQMTMSA-N
norman_susdat_id: NS00069295
pubchem_cid: 500902
smiles: C[C@@]1(O)[C@H](O)[C@@H](CO)O[C@H]1n1ccc(N)nc1=O
inchi:
InChI=1S/C10H15N3O5/c1-10(17)7(15)5(4-14)18-8(10)13-3-2-6(11)12-9(13)16/h2-3,5,7-8,14-15,17H,4H2,1H3,(H2,11,12,16)/t5-,7-,8-,10-/m1/s1


name: Sodium 1,4-bis(1-methylheptyl) sulfosuccinate
cas: 20727-33-7
chemspiderid: 4576445
dtxsid: DTXSID8042391
formula: C20H38O7S1
inchikey: HLLFAOOLQATURQ-UHFFFAOYNA-M
norman_susdat_id: NS00020064
pubchem_cid: NA
smiles: [Na+].CCCCCCC(C)OC(=O)CC(C(=O)OC(C)CCCCCC)S(=O)(=O)[O-]
inchi:
InChI=1S/C20H38O7S/c1-5-7-9-11-13-16(3)26-19(21)15-18(28(23,24)25)20(22)27-17(4)14-12-10-8-6-2/h16-18H,5-15H2,1-4H3,(H,23,24,25)/t16-,17+,18-/m0/s1


name: CHEMBL74078
cas: 207279-23-0
dtxsid: DTXSID80433973
formula: C21H13N3O4
inchikey: QTNUWEKKZHSUQO-UHFFFAOYSA-N
norman_susdat_id: NS00068363
pubchem_cid: 9999276
smiles: O=C(O)c1ccc(-c2cc3cccnc3c(-c3cccc([N+](=O)[O-])c3)n2)cc1
inchi:
InChI=1S/C21H13N3O4/c25-21(26)14-8-6-13(7-9-14)18-12-16-4-2-10-22-19(16)20(23-18)15-3-1-5-17(11-15)24(27)28/h1-12H,(H,25,26)


name: (2R-trans)-2-[3,4-bis(phenylmethoxy)phenyl]-3,4-dihydro-5,7-bis(phenylmethoxy)-2H-1-benzopyran-3-ol
cas: 20728-73-8
dtxsid: DTXSID20942938
formula: C43H38O6
inchikey: NRJRMFXLQSNZGY-PWPASLGISA-N
norman_susdat_id: NS00050700
pubchem_cid: 10952409
smiles: OC1CC=2C(OCC=3C=CC=CC3)=CC(OCC=4C=CC=CC4)=CC2OC1C5=CC=C(OCC=6C=CC=CC6)C(OCC=7C=CC=CC7)=C5
inchi:
InChI=1/C43H38O6/c44-38-26-37-40(47-29-33-17-9-3-10-18-33)24-36(45-27-31-13-5-1-6-14-31)25-41(37)49-43(38)35-21-22-39(46-28-32-15-7-2-8-16-32)42(23-35)48-30-34-19-11-4-12-20-34/h1-25,38,43-44H,26-30H2


cas: 20728-75-0
dtxsid: DTXSID80942939
formula: C44H40O6
inchikey: ZVJPSRKBMYBYOV-JCGOJSMZSA-N
norman_susdat_id: NS00050716
pubchem_cid: 13259567
smiles: O(C=1C=C(OCC=2C=CC=CC2)C3=C(OC(C4=CC=C(OCC=5C=CC=CC5)C(OCC=6C=CC=CC6)=C4)C(OC)C3)C1)CC=7C=CC=CC7
name:
(2R-trans)-2-[3,4-bis(phenylmethoxy)phenyl]-3,4-dihydro-3-methoxy-5,7-bis(phenylmethoxy)-2H-1-benzopyran

inchi:
InChI=1/C44H40O6/c1-45-43-27-38-40(48-30-34-18-10-4-11-19-34)25-37(46-28-32-14-6-2-7-15-32)26-41(38)50-44(43)36-22-23-39(47-29-33-16-8-3-9-17-33)42(24-36)49-31-35-20-12-5-13-21-35/h2-26,43-44H,27-31H2,1H3


name: Sodium 9,10-dihydroxystearate
cas: 20731-55-9
formula: C18H36O4.Na
inchikey: HQCPAOZSBHJRKS-UHFFFAOYSA-M
norman_susdat_id: NS00084340
smiles: [Na+].CCCCCCCCC(O)C(O)CCCCCCCC(=O)[O-]
inchi:
InChI=1/C18H36O4.Na/c1-2-3-4-5-7-10-13-16(19)17(20)14-11-8-6-9-12-15-18(21)22;/h16-17,19-20H,2-15H2,1H3,(H,21,22);/q;+1/p-1


name: Paraquat-dimethylsulfate
cas: 2074-50-2
formula: C12H14N2.2CH3O4S
inchikey: WXJYKXOIFICRPR-UHFFFAOYSA-L
norman_susdat_id: NS00081785
smiles: COS(=O)(=O)[O-].COS(=O)(=O)[O-].C[n+]1ccc(cc1)c2cc[n+](C)cc2
inchi:
InChI=1/C12H14N2.2CH4O4S/c1-13-7-3-11(4-8-13)12-5-9-14(2)10-6-12;2*1-5-6(2,3)4/h3-10H,1-2H3;2*1H3,(H,2,3,4)/q+2;;/p-2


name: C.I. Solvent Red 135
cas: 20749-68-2
chemspiderid: 80017
dtxsid: DTXSID6041260
formula: C18H6Cl4N2O1
inchikey: UBZVRROHBDDCQY-UHFFFAOYSA-N
norman_susdat_id: NS00003735
pubchem_cid: 88680
smiles: Clc1c2C(=O)n3c(nc4cccc5cccc3c45)-c2c(Cl)c(Cl)c1Cl
inchi:
InChI=1S/C18H6Cl4N2O/c19-13-11-12(14(20)16(22)15(13)21)18(25)24-9-6-2-4-7-3-1-5-8(10(7)9)23-17(11)24/h1-6H


cas: 207574-76-3
chemspiderid: 57504497
dtxsid: DTXSID00699655
formula: C26H28N6O6
inchikey: LOGNMBPMAMTFKP-UHFFFAOYSA-N
norman_susdat_id: NS00005122
pubchem_cid: 53427833
smiles: CC1C(C=CC=C1c1cccc(c1)C1(NC(O)=O)C=CC(=NC(=O)CN)C(NC(O)=O)=C1C)=NC(=O)CN
name:
[(1~4~E,3~3~E)-1~4~,3~3~-Bis[(aminoacetyl)imino]-1~2~,3~2~-dimethyl[3~2~,3~3~-dihydro-1~1~,2~1~:2~3~,3~1~-terphenyl]-1~1~,1~3~(1~4~H)-diyl]dicarbamic acid (non-preferred name)

inchi:
InChI=1S/C26H28N6O6/c1-14-18(7-4-8-19(14)29-21(33)12-27)16-5-3-6-17(11-16)26(32-25(37)38)10-9-20(30-22(34)13-28)23(15(26)2)31-24(35)36/h3-11,14,31-32H,12-13,27-28H2,1-2H3,(H,35,36)(H,37,38)


cas: 207574-77-4
dtxsid: DTXSID80883010
norman_susdat_id: NS00111688
name:
(1-Propanamine, 2-(trimethoxysilyl)-, reaction products with reduced methanol-peroxidized poly(tetrafluoroethylene)


name: Brd-a41145729-001-02-7
cas: 207597-75-9
formula: C16H28O3
inchikey: MNYBEULOKRVZKY-ATCPXPEISA-N
norman_susdat_id: NS00068997
pubchem_cid: 5288795
smiles: COC(C)(C)CCC[C@H](C)C/C=C/C(C)=C/C(=O)O
inchi:
InChI=1S/C16H28O3/c1-13(10-7-11-16(3,4)19-5)8-6-9-14(2)12-15(17)18/h6,9,12-13H,7-8,10-11H2,1-5H3,(H,17,18)/b9-6+,14-12+/t13-/m1/s1


name: Adenosine diphosphate ribose
cas: 20762-30-5
chebiid: CHEBI:16960
chemspiderid: 388340
formula: C15H23N5O14P2
inchikey: SRNWOUGRCWSEMX-TYASJMOZSA-N
norman_susdat_id: NS00015295
pubchem_cid: 33576
smiles: C1=NC2=C(C(=N1)N)N=CN2C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O
inchi:
InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15?/m1/s1


cas: 207691-69-8
dtxsid: DTXSID60883078
norman_susdat_id: NS00111003
name:
1-Butanol, 4-(ethenyloxy)-, polymer with chlorotrifluoroethene and ethoxyethene, hydrogen butanedioate


name: Bis[O-isopropyl-DL-methionine] fumarate
cas: 20772-50-3
formula: C8H17NO2S.1/2C4H4O4
inchikey: HJPAWJBAADASMW-NSSXTIIFSA-N
norman_susdat_id: NS00085307
smiles: CSCC[C@H](N)C(=O)OC(C)C.CSCC[C@H](N)C(=O)OC(C)C.OC(=O)\C=C\C(=O)O
inchi:
InChI=1/2C8H17NO2S.C4H4O4/c2*1-6(2)11-8(10)7(9)4-5-12-3;5-3(6)1-2-4(7)8/h2*6-7H,4-5,9H2,1-3H3;1-2H,(H,5,6)(H,7,8)


name: CI-1029
cas: 207736-05-8
chemspiderid: 398316
dtxsid: DTXSID8047262
formula: C28H37N1O4S1
inchikey: ZUBPKHVCBGWWGO-NDEPHWFRSA-N
norman_susdat_id: NS00015612
pubchem_cid: 54687772
smiles: CC1=CC(=C(C=C1CO)C(C)(C)C)SC2=C(CC(OC2=O)(CCC3=CC=C(C=C3)N)C(C)C)O
inchi:
InChI=1S/C28H37NO4S/c1-17(2)28(12-11-19-7-9-21(29)10-8-19)15-23(31)25(26(32)33-28)34-24-13-18(3)20(16-30)14-22(24)27(4,5)6/h7-10,13-14,17,30-31H,11-12,15-16,29H2,1-6H3/t28-/m0/s1


name: 1-dodecylpyridinium sulphate (2:1)
cas: 20779-74-2
formula: C17H30N.1/2O4S
inchikey: LFYSWCFSJAZQJJ-UHFFFAOYSA-L
norman_susdat_id: NS00084659
smiles: CCCCCCCCCCCC[n+]1ccccc1.CCCCCCCCCCCC[n+]2ccccc2.[O-]S(=O)(=O)[O-]
inchi:
InChI=1/2C17H30N.H2O4S/c2*1-2-3-4-5-6-7-8-9-10-12-15-18-16-13-11-14-17-18;1-5(2,3)4/h2*11,13-14,16-17H,2-10,12,15H2,1H3;(H2,1,2,3,4)/q2*+1;/p-2


name: Bis(2,4-dimethoxybenzyl)amine
cas: 20781-23-1
chemspiderid: 80032
dtxsid: DTXSID00174871
formula: C18H23N1O4
inchikey: IZWMZVDEYOKQCG-UHFFFAOYSA-N
norman_susdat_id: NS00026737
pubchem_cid: 88696
smiles: COc1cc(OC)c(CNCc2c(OC)cc(OC)cc2)cc1
inchi:
InChI=1S/C18H23NO4/c1-20-15-7-5-13(17(9-15)22-3)11-19-12-14-6-8-16(21-2)10-18(14)23-4/h5-10,19H,11-12H2,1-4H3


name: 4'-o-methylbroussochalcone b
cas: 20784-60-5
formula: C21H22O4
inchikey: ZUGCRBMNFSAUOC-YRNVUSSQSA-N
norman_susdat_id: NS00071608
pubchem_cid: 5321765
smiles: COc1cc(O)c(C(=O)/C=C/c2ccc(O)cc2)cc1CC=C(C)C
inchi:
InChI=1S/C21H22O4/c1-14(2)4-8-16-12-18(20(24)13-21(16)25-3)19(23)11-7-15-5-9-17(22)10-6-15/h4-7,9-13,22,24H,8H2,1-3H3/b11-7+


name: Tetrakis(2-fluoro-2,2-dinitroethyl) orthocarbonate
cas: 20786-75-8
dtxsid: DTXSID00174876
formula: C9H8F4N8O20
inchikey: OXTSVLSXTUKQMY-UHFFFAOYSA-N
norman_susdat_id: NS00051226
pubchem_cid: 88700
smiles: O=N(=O)C(F)(N(=O)=O)COC(OCC(F)(N(=O)=O)N(=O)=O)(OCC(F)(N(=O)=O)N(=O)=O)OCC(F)(N(=O)=O)N(=O)=O
inchi:
InChI=1/C9H8F4N8O20/c10-5(14(22)23,15(24)25)1-38-9(39-2-6(11,16(26)27)17(28)29,40-3-7(12,18(30)31)19(32)33)41-4-8(13,20(34)35)21(36)37/h1-4H2


name: Blasticidin-S
cas: 2079-00-7
chebiid: CHEBI:15353
chemspiderid: 148673
dtxsid: DTXSID0058015
formula: C17H26N8O5
inchikey: CXNPLSGKWMLZPZ-ZNIXKSQXSA-N
norman_susdat_id: NS00011707
pubchem_cid: 170012
smiles: [H]/N=C(N)/N(C)CC[C@@H](CC(=O)N[C@H]1C=C[C@@H](O[C@@H]1C(=O)O)n2ccc(nc2=O)N)N
inchi:
InChI=1S/C17H26N8O5/c1-24(16(20)21)6-4-9(18)8-12(26)22-10-2-3-13(30-14(10)15(27)28)25-7-5-11(19)23-17(25)29/h2-3,5,7,9-10,13-14H,4,6,8,18H2,1H3,(H3,20,21)(H,22,26)(H,27,28)(H2,19,23,29)/t9-,10-,13+,14-/m0/s1


name: Hexamethonium tartrate
cas: 2079-78-9
formula: C12H30N2.2C4H5O6
inchikey: FBKYPSXTNBQAJW-WBPXWQEISA-L
norman_susdat_id: NS00081438
smiles: C[N+](C)(C)CCCCCC[N+](C)(C)C.O[C@H]([C@@H](O)C(=O)[O-])C(=O)O.O[C@H]([C@@H](O)C(=O)[O-])C(=O)O
inchi:
InChI=1/C12H30N2.2C4H6O6/c1-13(2,3)11-9-7-8-10-12-14(4,5)6;2*5-1(3(7)8)2(6)4(9)10/h7-12H2,1-6H3;2*1-2,5-6H,(H,7,8)(H,9,10)/q+2;;/p-2


name: 3-methoxypregna-3,5-diene-21,17a-carbolactone
cas: 20802-57-7
dtxsid: DTXSID20943026
formula: C23H32O3
inchikey: OKMHWOWJDRPCCT-UHFFFAOYSA-N
norman_susdat_id: NS00051227
pubchem_cid: 89387
smiles: O=C1OC2(CC1)CCC3C4CC=C5C=C(OC)CCC5(C)C4CCC32C
inchi:
InChI=1/C23H32O3/c1-21-10-6-16(25-3)14-15(21)4-5-17-18(21)7-11-22(2)19(17)8-12-23(22)13-9-20(24)26-23/h4,14,17-19H,5-13H2,1-3H3


name: N-(benzyloxycarbonyl)-O-benzyl-L-serine
cas: 20806-43-3
formula: C18H19NO5
inchikey: CYYRLHUAMWRBHC-INIZCTEOSA-N
norman_susdat_id: NS00052025
pubchem_cid: 6993425
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)O)COCC=2C=CC=CC2
inchi:
InChI=1/C18H19NO5/c20-17(21)16(13-23-11-14-7-3-1-4-8-14)19-18(22)24-12-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,19,22)(H,20,21)


name: N-[[(phenylmethoxy)carbonyl]glycyl]-L-isoleucine
cas: 20807-11-8
dtxsid: DTXSID40943028
formula: C16H22N2O5
inchikey: YPXHSERXWVIZGK-IAXJKZSUSA-N
norman_susdat_id: NS00052026
pubchem_cid: 15600353
smiles: O=C(OCC=1C=CC=CC1)NCC(=O)NC(C(=O)O)C(C)CC
inchi:
InChI=1/C16H22N2O5/c1-3-11(2)14(15(20)21)18-13(19)9-17-16(22)23-10-12-7-5-4-6-8-12/h4-8,11,14H,3,9-10H2,1-2H3,(H,17,22)(H,18,19)(H,20,21)


name: Butanilicaine dihydrogen phosphate
cas: 2081-65-4
formula: C13H19ClN2O.H3O4P
inchikey: VXDXXKHEJKYCNE-UHFFFAOYSA-N
norman_susdat_id: NS00082090
smiles: Clc1cccc(C)c1NC(=O)CNCCCC.OP(O)(=O)O
inchi:
InChI=1/C13H19ClN2O.H3O4P/c1-3-4-8-15-9-12(17)16-13-10(2)6-5-7-11(13)14;1-5(2,3)4/h5-7,15H,3-4,8-9H2,1-2H3,(H,16,17);(H3,1,2,3,4)


name: Tris(2,4-bis(1-phenylethyl)phenyl) phosphate
cas: 20812-18-4
formula: C66H63O4P
inchikey: USZKGISFVCMAAL-UHFFFAOYSA-N
norman_susdat_id: NS00051255
pubchem_cid: 3015096
inchi:
InChI=1/C66H63O4P/c1-46(52-25-13-7-14-26-52)58-37-40-64(61(43-58)49(4)55-31-19-10-20-32-55)68-71(67,69-65-41-38-59(47(2)53-27-15-8-16-28-53)44-62(65)50(5)56-33-21-11-22-34-56)70-66-42-39-60(48(3)54-29-17-9-18-30-54)45-63(66)51(6)57-35-23-12-24-36-57/h7-51H,1-6H3

smiles:
O=P(OC1=CC=C(C=C1C(C=2C=CC=CC2)C)C(C=3C=CC=CC3)C)(OC4=CC=C(C=C4C(C=5C=CC=CC5)C)C(C=6C=CC=CC6)C)OC7=CC=C(C=C7C(C=8C=CC=CC8)C)C(C=9C=CC=CC9)C


name: Tris[2,4,6-tris(1-phenylethyl)phenyl] phosphate
cas: 20812-19-5
formula: C90H87O4P
inchikey: CHWPDGUIAXMYEK-UHFFFAOYSA-N
norman_susdat_id: NS00052041
pubchem_cid: 16132022
inchi:
InChI=1/C90H87O4P/c1-61(70-37-19-10-20-38-70)79-55-82(64(4)73-43-25-13-26-44-73)88(83(56-79)65(5)74-45-27-14-28-46-74)92-95(91,93-89-84(66(6)75-47-29-15-30-48-75)57-80(62(2)71-39-21-11-22-40-71)58-85(89)67(7)76-49-31-16-32-50-76)94-90-86(68(8)77-51-33-17-34-52-77)59-81(63(3)72-41-23-12-24-42-72)60-87(90)69(9)78-53-35-18-36-54-78/h10-69H,1-9H3

smiles:
O=P(OC=1C(=CC(=CC1C(C=2C=CC=CC2)C)C(C=3C=CC=CC3)C)C(C=4C=CC=CC4)C)(OC=5C(=CC(=CC5C(C=6C=CC=CC6)C)C(C=7C=CC=CC7)C)C(C=8C=CC=CC8)C)OC=9C(=CC(=CC9C(C=%10C=CC=CC%10)C)C(C=%11C=CC=CC%11)C)C(C=%12C=CC=CC%12)C


name: Octadecyl 3-(3,5-di-tert-butyl-4-hydroxyphenyl)propionate
cas: 2082-79-3
chemspiderid: 15539
dtxsid: DTXSID8027456
formula: C35H62O3
inchikey: SSDSCDGVMJFTEQ-UHFFFAOYSA-N
norman_susdat_id: NS00003190
pubchem_cid: 16386
smiles: CCCCCCCCCCCCCCCCCCOC(=O)CCc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
inchi:
InChI=1S/C35H62O3/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-26-38-32(36)25-24-29-27-30(34(2,3)4)33(37)31(28-29)35(5,6)7/h27-28,37H,8-26H2,1-7H3


name: Trioctadecyl phosphite
cas: 2082-80-6
dtxsid: DTXSID20883791
formula: C54H111O3P
inchikey: CNUJLMSKURPSHE-UHFFFAOYSA-N
norman_susdat_id: NS00045355
pubchem_cid: 248442
smiles: O(P(OCCCCCCCCCCCCCCCCCC)OCCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C54H111O3P/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-52-55-58(56-53-50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2)57-54-51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3/h4-54H2,1-3H3


name: N-(2-Benzoyl-4-nitrophenyl)-2-chloroacetamide
cas: 20821-91-4
chemspiderid: 80041
dtxsid: DTXSID60174938
formula: C15H11Cl1N2O4
inchikey: ZHJLHAOWFYEIOC-UHFFFAOYSA-N
norman_susdat_id: NS00026747
pubchem_cid: 88706
smiles: [O-][N+](=O)c1cc(C(=O)c2ccccc2)c(NC(=O)CCl)cc1
inchi:
InChI=1S/C15H11ClN2O4/c16-9-14(19)17-13-7-6-11(18(21)22)8-12(13)15(20)10-4-2-1-3-5-10/h1-8H,9H2,(H,17,19)


name: (5alpha,6alpha)-3,6-Bis(acetoxy)-7,8-didehydro-4,5-epoxymorphinan-17-carbonitrile
cas: 20827-47-8
chemspiderid: 21172779
dtxsid: DTXSID30174945
formula: C21H20N2O5
inchikey: WGKXVAROYWUSEW-PVHGPHFFSA-N
norman_susdat_id: NS00026748
pubchem_cid: 56841767
smiles: CC(=O)OC1C=CC2C3Cc4c5c(OC1C25CCN3C#N)c(OC(=O)C)cc4
inchi:
InChI=1S/C21H20N2O5/c1-11(24)26-16-5-3-13-9-15-14-4-6-17(27-12(2)25)20-21(14,7-8-23(15)10-22)18(13)19(16)28-20/h3-6,14-15,17,20H,7-9H2,1-2H3/t14-,15-,17+,20-,21+/m1/s1


name: Calcium 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoate (1:2)
cas: 20828-80-2
formula: C12H11I3N2O4.1/2Ca
inchikey: QXGGSFDVECWECW-UHFFFAOYSA-L
norman_susdat_id: NS00084660
smiles: [CaH2].CC(=O)CNc1c(I)c(NC(=O)C)c(I)c(C(=O)[O-])c1I.CC(=O)CNc2c(I)c(NC(=O)C)c(I)c(C(=O)[O-])c2I
inchi:
InChI=1/2C12H11I3N2O4.Ca.2H/c2*1-4(18)3-16-10-7(13)6(12(20)21)8(14)11(9(10)15)17-5(2)19;;;/h2*16H,3H2,1-2H3,(H,17,19)(H,20,21);;;/q;;+2;;/p-2/r2C12H11I3N2O4.CaH2/c2*1-4(18)3-16-10-7(13)6(12(20)21)8(14)11(9(10)15)17-5(2)19;/h2*16H,3H2,1-2H3,(H,17,19)(H,20,21);1H2/q;;+2/p-2


name: 2,5-di(biphenyl-4-yl)oxazole
cas: 2083-09-2
dtxsid: DTXSID40174951
formula: C27H19NO
inchikey: DDZJGFHXUOWOSL-UHFFFAOYSA-N
norman_susdat_id: NS00046032
pubchem_cid: 95231
smiles: N=1C=C(OC1C=2C=CC(=CC2)C=3C=CC=CC3)C=4C=CC(=CC4)C=5C=CC=CC5
inchi:
InChI=1/C27H19NO/c1-3-7-20(8-4-1)22-11-15-24(16-12-22)26-19-28-27(29-26)25-17-13-23(14-18-25)21-9-5-2-6-10-21/h1-19H


name: Digoxin
cas: 20830-75-5
chebiid: CHEBI:4551
chemspiderid: 2006532
dtxsid: DTXSID5022934
formula: C41H64O14
inchikey: LTMHDMANZUZIPE-PUGKRICDSA-N
norman_susdat_id: NS00008620
pubchem_cid: 2724385
inchi:
InChI=1S/C41H64O14/c1-19-36(47)28(42)15-34(50-19)54-38-21(3)52-35(17-30(38)44)55-37-20(2)51-33(16-29(37)43)53-24-8-10-39(4)23(13-24)6-7-26-27(39)14-31(45)40(5)25(9-11-41(26,40)48)22-12-32(46)49-18-22/h12,19-21,23-31,33-38,42-45,47-48H,6-11,13-18H2,1-5H3/t19-,20-,21-,23-,24+,25-,26-,27+,28+,29+,30+,31-,33+,34+,35+,36-,37-,38-,39+,40+,41+/m1/s1

smiles:
C[C@H]1O[C@H](C[C@H](O)[C@@H]1O)O[C@H]1[C@@H](O)C[C@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3CC[C@@]4(C)[C@H](CC[C@@H]5[C@@H]4C[C@@H](O)[C@]4(C)[C@H](CC[C@]54O)C4=CC(=O)OC4)C3)O[C@@H]2C)O[C@@H]1C


name: Daunorubicin
cas: 20830-81-3
chebiid: CHEBI:94265
chemspiderid: 2852
dtxsid: DTXSID7022883
formula: C27H29N1O10
inchikey: STQGQHZAVUOBTE-UHFFFAOYSA-N
norman_susdat_id: NS00003308
pubchem_cid: 2958
smiles: COc1cccc2C(=O)c3c(O)c4CC(O)(CC(OC5CC(N)C(O)C(C)O5)c4c(O)c3C(=O)c12)C(C)=O
inchi:
InChI=1S/C27H29NO10/c1-10-22(30)14(28)7-17(37-10)38-16-9-27(35,11(2)29)8-13-19(16)26(34)21-20(24(13)32)23(31)12-5-4-6-15(36-3)18(12)25(21)33/h4-6,10,14,16-17,22,30,32,34-35H,7-9,28H2,1-3H3


name: (5R-trans)-6-(ß-D-glucopyranosyloxy)-5,6-dihydro-5-vinyl-1H,3H-pyrano[3,4-c]pyran-1-one
cas: 20831-76-9
dtxsid: DTXSID40878043
formula: C16H20O9
inchikey: DUAGQYUORDTXOR-OZLUGHNBSA-N
norman_susdat_id: NS00052042
pubchem_cid: 354445
smiles: C=C[C@H]1[C@@H](OC=C2C1=CCOC2=O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O
inchi:
InChI=1/C16H20O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2-3,6-7,10-13,15-20H,1,4-5H2


name: Dodecanoic acid, hexadecyl ester
cas: 20834-06-4
chebiid: CHEBI:84080
chemspiderid: 80044
dtxsid: DTXSID6066658
formula: C28H56O2
inchikey: VWOKINHIVGKNRX-UHFFFAOYSA-N
norman_susdat_id: NS00013444
pubchem_cid: 88709
smiles: CCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC
inchi:
InChI=1S/C28H56O2/c1-3-5-7-9-11-13-14-15-16-17-19-21-23-25-27-30-28(29)26-24-22-20-18-12-10-8-6-4-2/h3-27H2,1-2H3


name: Phenol, 2,2'-[6-(2,4-dibutoxyphenyl)-1,3,5-triazine-2,4-diyl]bis[5-butoxy-
cas: 208343-47-9
chemspiderid: 10632733
dtxsid: DTXSID80889118
formula: C37H47N3O6
inchikey: DRXGKQPTFWTTJW-UHFFFAOYSA-N
norman_susdat_id: NS00008600
pubchem_cid: NA
smiles: CCCCOc1ccc(c(O)c1)-c1nc(nc(n1)-c1ccc(OCCCC)cc1OCCCC)-c1ccc(OCCCC)cc1O
inchi:
InChI=1S/C37H47N3O6/c1-5-9-19-43-26-13-16-29(32(41)23-26)35-38-36(30-17-14-27(24-33(30)42)44-20-10-6-2)40-37(39-35)31-18-15-28(45-21-11-7-3)25-34(31)46-22-12-8-4/h13-18,23-25,41-42H,5-12,19-22H2,1-4H3


name: N,N'-Ethylenedi-L-aspartic acid
cas: 20846-91-7
chemspiderid: 435376
dtxsid: DTXSID1051852
formula: C10H16N2O8
inchikey: VKZRWSNIWNFCIQ-WDSKDSINSA-N
norman_susdat_id: NS00007135
pubchem_cid: 497266
smiles: OC(=O)C[C@H](NCCN[C@@H](CC(O)=O)C(O)=O)C(O)=O
inchi:
InChI=1S/C10H16N2O8/c13-7(14)3-5(9(17)18)11-1-2-12-6(10(19)20)4-8(15)16/h5-6,11-12H,1-4H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t5-,6-/m0/s1


name: Mesosulfuron-methyl
cas: 208465-21-8
chemspiderid: 9584394
dtxsid: DTXSID6034712
formula: C17H21N5O9S2
inchikey: NIFKBBMCXCMCAO-UHFFFAOYSA-N
norman_susdat_id: NS00009416
pubchem_cid: 11409499
smiles: COC(=O)c1ccc(CNS(C)(=O)=O)cc1S(=O)(=O)NC(=O)Nc1nc(OC)cc(OC)n1
inchi:
InChI=1S/C17H21N5O9S2/c1-29-13-8-14(30-2)20-16(19-13)21-17(24)22-33(27,28)12-7-10(9-18-32(4,25)26)5-6-11(12)15(23)31-3/h5-8,18H,9H2,1-4H3,(H2,19,20,21,22,24)


name: 1H-Imidazole, 2,2'-[azobis(1-methylethylidene)]bis[4,5-dihydro-
cas: 20858-12-2
chemspiderid: 80050
dtxsid: DTXSID0066662
formula: C12H22N6
inchikey: LWMFAFLIWMPZSX-UHFFFAOYSA-N
norman_susdat_id: NS00021842
pubchem_cid: 88715
smiles: CC(C)(N=NC(C)(C)C1=NCCN1)C1=NCCN1
inchi:
InChI=1S/C12H22N6/c1-11(2,9-13-5-6-14-9)17-18-12(3,4)10-15-7-8-16-10/h5-8H2,1-4H3,(H,13,14)(H,15,16)


name: C12, 4 EO Carboxymethylated acid
cas: 20858-25-7
chemspiderid: 26538191
formula: C20H40O6
inchikey: VXWLNXGYIWKCDK-UHFFFAOYSA-N
norman_susdat_id: NS00095094
pubchem_cid: 12463601
smiles: O=C(O)COCCOCCOCCOCCCCCCCCCCCC
inchi:
InChI=1S/C20H40O6/c1-2-3-4-5-6-7-8-9-10-11-12-23-13-14-24-15-16-25-17-18-26-19-20(21)22/h2-19H2,1H3,(H,21,22)


name: Berberine
cas: 2086-83-1
chebiid: CHEBI:16118
chemspiderid: 2263
dtxsid: DTXSID9043857
formula: C20H18N1O4
inchikey: YBHILYKTIRIUTE-UHFFFAOYSA-N
norman_susdat_id: NS00009669
pubchem_cid: 2353
smiles: COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OC
inchi:
InChI=1S/C20H18NO4/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/h3-4,7-10H,5-6,11H2,1-2H3/q+1


name: 3ß,17-dihydroxypregn-5-en-20-one 3-formate
cas: 20867-15-6
dtxsid: DTXSID60943121
formula: C22H32O4
inchikey: LIQRRNOQIKMVTQ-YRCTWBNTSA-N
norman_susdat_id: NS00050850
pubchem_cid: 11875178
smiles: O=COC1CC2=CCC3C(CCC4(C)C3CCC4(O)C(=O)C)C2(C)CC1
inchi:
InChI=1/C22H32O4/c1-14(24)22(25)11-8-19-17-5-4-15-12-16(26-13-23)6-9-20(15,2)18(17)7-10-21(19,22)3/h4,13,16-19,25H,5-12H2,1-3H3


name: 6-methyl-20-oxopregna-5,16-dien-3-ß-yl acetate
cas: 20867-46-3
dtxsid: DTXSID20943122
formula: C24H34O3
inchikey: FIFCOJHNNZMPQU-BQGSHDAWSA-N
norman_susdat_id: NS00051284
pubchem_cid: 21116479
smiles: O=C(OC1CC2=C(C)CC3C4CC=C(C(=O)C)C4(C)CCC3C2(C)CC1)C
inchi:
InChI=1/C24H34O3/c1-14-12-18-20-7-6-19(15(2)25)23(20,4)11-9-21(18)24(5)10-8-17(13-22(14)24)27-16(3)26/h6,17-18,20-21H,7-13H2,1-5H3


name: Ermanin
cas: 20869-95-8
chebiid: CHEBI:146142
chemspiderid: 4508982
dtxsid: DTXSID90174986
formula: C17H14O6
inchikey: RJCJVIFSIXKSAH-UHFFFAOYSA-N
norman_susdat_id: NS00026755
pubchem_cid: 5352001
smiles: COc1ccc(cc1)c1c(OC)c(=O)c2c(o1)cc(O)cc2O
inchi:
InChI=1S/C17H14O6/c1-21-11-5-3-9(4-6-11)16-17(22-2)15(20)14-12(19)7-10(18)8-13(14)23-16/h3-8,18-19H,1-2H3


cas: 208721-05-5
dtxsid: DTXSID50883022
norman_susdat_id: NS00110667
name:
Oxirane, methyl-, polymer with oxirane, mono(4,4,5,5,6,6,7,7,8,8,9,9,10,10-heptadecafluoro-1-methyl undecyl)ether


name: 3-Oxoandrost-4-en-17-yl benzoate
cas: 2088-71-3
chemspiderid: 312539
dtxsid: DTXSID50943135
formula: C26H32O3
inchikey: RZJSCADWIWNGKI-UHFFFAOYSA-N
norman_susdat_id: NS00004221
pubchem_cid: 351991
smiles: CC12CCC3C(CCC4=CC(=O)CCC34C)C1CCC2OC(=O)c1ccccc1
inchi:
InChI=1S/C26H32O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,16,20-23H,8-15H2,1-2H3


name: N-[[(4-methoxyphenyl)methoxy]carbonyl]-L-serine
cas: 20890-93-1
dtxsid: DTXSID30943153
formula: C12H15NO6
inchikey: RMBWJEJTGNHCMK-JTQLQIEISA-N
norman_susdat_id: NS00052085
pubchem_cid: 14237305
smiles: O=C(OCC1=CC=C(OC)C=C1)NC(C(=O)O)CO
inchi:
InChI=1/C12H15NO6/c1-18-9-4-2-8(3-5-9)7-19-12(17)13-10(6-14)11(15)16/h2-5,10,14H,6-7H2,1H3,(H,13,17)(H,15,16)


name: 1-benzyl-N-(tert-butoxycarbonyl)-L-histidine
cas: 20898-44-6
dtxsid: DTXSID20885154
formula: C18H23N3O4
inchikey: OUHPNBGKEMHUCQ-HNNXBMFYSA-N
norman_susdat_id: NS00052086
pubchem_cid: 6993429
smiles: O=C(OC(C)(C)C)NC(C(=O)O)CC=1N=CN(C1)CC=2C=CC=CC2
inchi:
InChI=1/C18H23N3O4/c1-18(2,3)25-17(24)20-15(16(22)23)9-14-11-21(12-19-14)10-13-7-5-4-6-8-13/h4-8,11-12,15H,9-10H2,1-3H3,(H,20,24)(H,22,23)


name: 1-Butyl-3-(1-naphthoyl) indole
cas: 208987-48-8
chemspiderid: 8647081
dtxsid: DTXSID20175042
formula: C23H21N1O1
inchikey: VCHHHSMPMLNVGS-UHFFFAOYSA-N
norman_susdat_id: NS00009066
pubchem_cid: 10471670
smiles: CCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
inchi:
InChI=1S/C23H21NO/c1-2-3-15-24-16-21(19-12-6-7-14-22(19)24)23(25)20-13-8-10-17-9-4-5-11-18(17)20/h4-14,16H,2-3,15H2,1H3


name: N-dodecylbenzylamine hydrochloride
cas: 2090-62-2
dtxsid: DTXSID70175052
formula: C19H33N
inchikey: OTPBAANTTKRERC-UHFFFAOYSA-N
norman_susdat_id: NS00046641
pubchem_cid: 232909
smiles: Cl.C=1C=CC(=CC1)CNCCCCCCCCCCCC
inchi:
InChI=1/C19H33N.ClH/c1-2-3-4-5-6-7-8-9-10-14-17-20-18-19-15-12-11-13-16-19;/h11-13,15-16,20H,2-10,14,17-18H2,1H3;1H


name: Phenolphthalein phosphate
cas: 2090-82-6
dtxsid: DTXSID6062171
formula: C20H15O7P
inchikey: NEMOXUWHWHQWJM-UHFFFAOYSA-L
norman_susdat_id: NS00045397
pubchem_cid: 4126504
smiles: O=C1OC(C2=CC=C(O)C=C2)(C3=CC=C(OP(=O)([O-])[O-])C=C3)C=4C=CC=CC14
inchi:
InChI=1/C20H15O7P/c21-15-9-5-13(6-10-15)20(18-4-2-1-3-17(18)19(22)26-20)14-7-11-16(12-8-14)27-28(23,24)25/h1-12,21H,(H2,23,24,25)/p-2


name: 3,3'-dithiodi-D-valine
cas: 20902-45-8
formula: C10H20N2O4S2
inchikey: POYPKGFSZHXASD-UHFFFAOYSA-N
norman_susdat_id: NS00050872
pubchem_cid: NA
smiles: O=C(O)C(N)C(SSC(C)(C)C(N)C(=O)O)(C)C
inchi:
InChI=1/C10H20N2O4S2/c1-9(2,5(11)7(13)14)17-18-10(3,4)6(12)8(15)16/h5-6H,11-12H2,1-4H3,(H,13,14)(H,15,16)


cas: 20904-74-9
dtxsid: DTXSID00943165
formula: C27H31Cl2N2O6S4
inchikey: MBCYYQMJNFIFQX-UHFFFAOYSA-N
norman_susdat_id: NS00052087
pubchem_cid: NA
smiles: [H+].O=S(=O)([O-])CCCCN1C(SC2=CC=C(Cl)C=C21)=CC(=CC=3SC=4C=CC(Cl)=CC4[N+]3CCCCS(=O)(=O)[O-])CC
name:
Hydrogen 5-chloro-2-[2-[[5-chloro-3-(4-sulphonatobutyl)-3H-benzothiazol-2-ylidene]methyl]but-1-enyl]-3-(4-sulphonatobutyl)benzothiazolium

inchi:
InChI=1/C27H30Cl2N2O6S4.H2/c1-2-19(15-26-30(11-3-5-13-40(32,33)34)22-17-20(28)7-9-24(22)38-26)16-27-31(12-4-6-14-41(35,36)37)23-18-21(29)8-10-25(23)39-27;/h7-10,15-18H,2-6,11-14H2,1H3,(H-,32,33,34,35,36,37);1H/q;+1/p-1


name: 11,14,17-Eicosatrienoic acid
cas: 2091-27-2
chebiid: CHEBI:53460
dtxsid: DTXSID60920492
formula: C20H34O2
inchikey: AHANXAKGNAKFSK-PDBXOOCHSA-N
norman_susdat_id: NS00096664
smiles: CC/C=CC/C=CC/C=CCCCCCCCCCC(=O)O
inchi:
InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h3-4,6-7,9-10H,2,5,8,11-19H2,1H3,(H,21,22)/b4-3-,7-6-,10-9-


name: Prop-2-ynyltriphenylphosphonium bromide
cas: 2091-46-5
dtxsid: DTXSID10943171
formula: C21H18P
inchikey: AFZDAWIXETXKRE-UHFFFAOYSA-M
norman_susdat_id: NS00046642
pubchem_cid: 2724214
smiles: [Br-].C#CC[P+](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3
inchi:
InChI=1/C21H18P.BrH/c1-2-18-22(19-12-6-3-7-13-19,20-14-8-4-9-15-20)21-16-10-5-11-17-21;/h1,3-17H,18H2;1H/q+1;/p-1


name: Sodium 4-hydroxy-3-(2-hydroxy-1-naphthalenylazo)benzenesulphonate
cas: 2092-55-9
dtxsid: DTXSID1062172
formula: C16H12N2O5S
inchikey: BEQIIZJSZSVJJK-UHFFFAOYSA-M
norman_susdat_id: NS00045398
pubchem_cid: 16410
smiles: [Na+].O=S(=O)([O-])C1=CC=C(O)C(N=NC2=C(O)C=CC=3C=CC=CC32)=C1
inchi:
InChI=1/C16H12N2O5S.Na/c19-14-8-6-11(24(21,22)23)9-13(14)17-18-16-12-4-2-1-3-10(12)5-7-15(16)20;/h1-9,19-20H,(H,21,22,23);/q;+1/p-1


name: Sodium 2-chloro-5-[(2-hydroxy-1-naphthyl)azo]toluene-4-sulphonate]
cas: 2092-56-0
formula: C17H13ClN2O4S.Na
inchikey: LLELVHKMCSBMCX-UHFFFAOYSA-M
norman_susdat_id: NS00081828
smiles: Cc1cc(N=Nc2c(O)ccc3ccccc23)c(cc1Cl)S(=O)(=O)O[Na]
inchi:
InChI=1/C17H13ClN2O4S.Na/c1-10-8-14(16(9-13(10)18)25(22,23)24)19-20-17-12-5-3-2-4-11(12)6-7-15(17)21;/h2-9,21H,1H3,(H,22,23,24);/q;+1/p-1/rC17H12ClN2NaO4S/c1-10-8-14(16(9-13(10)18)26(23,24)25-21)19-20-17-12-5-3-2-4-11(12)6-7-15(17)22/h2-9,22H,1H3


name: Adenosine trisodium 5'-diphosphate trihydrate
cas: 2092-65-1
formula: C10H15N5O10P2.3Na
inchikey: KWEUUBDPVVHQAL-UHFFFAOYSA-K
norman_susdat_id: NS00082129
smiles: Nc1ncnc2c1ncn2C3OC(COP(=O)(O[Na])OP(=O)(O[Na])O[Na])C(O)C3O
inchi:
InChI=1/C10H15N5O10P2.3Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);;;/q;3*+1/p-3/rC10H12N5Na3O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(20)6(19)4(24-10)1-23-29(21,25-16)28-30(22,26-17)27-18/h2-4,6-7,10,19-20H,1H2,(H2,11,12,13)


name: Entecavir
cas: 209216-23-9
chemspiderid: 148942
dtxsid: DTXSID4046446
formula: C12H15N5O3
inchikey: QDGZDCVAUDNJFG-PPSBICQBSA-N
norman_susdat_id: NS00006193
pubchem_cid: 170343
smiles: Nc1nc(=O)c2ncn(C3C[C@H](O)[C@@H](CO)C3=C)c2[nH]1
inchi:
InChI=1S/C12H15N5O3/c1-5-6(3-18)8(19)2-7(5)17-4-14-9-10(17)15-12(13)16-11(9)20/h4,6-8,18-19H,1-3H2,(H3,13,15,16,20)/t6-,7?,8-/m0/s1


name: Finafloxacin
cas: 209342-40-5
chebiid: CHEBI:85176
dtxsid: DTXSID10175096
formula: C20H19FN4O4
inchikey: FYMHQCNFKNMJAV-HOTGVXAUSA-N
norman_susdat_id: NS00069716
pubchem_cid: 11567473
smiles: N#Cc1c(N2C[C@@H]3NCCO[C@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12
inchi:
InChI=1S/C20H19FN4O4/c21-14-5-11-17(25(10-1-2-10)7-13(19(11)26)20(27)28)12(6-22)18(14)24-8-15-16(9-24)29-4-3-23-15/h5,7,10,15-16,23H,1-4,8-9H2,(H,27,28)/t15-,16-/m0/s1


name: Lead 2,4-dihydroxybenzoate
cas: 20936-32-7
formula: C7H6O4.xPb
inchikey: WRRRQQWRLLOZGM-UHFFFAOYSA-N
norman_susdat_id: NS00084698
smiles: [Pb].O=C(O)C=1\C=CC(\O)=C/C=1O
inchi:
InChI=1/C7H6O4.Pb.2H/c8-4-1-2-5(7(10)11)6(9)3-4;;;/h1-3,8-9H,(H,10,11);;;/q;+4;;/rC7H6O4.H2Pb/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3,8-9H,(H,10,11);1H2/q;+4


name: Diethylammonium (o,p-dichlorophenoxy)acetate
cas: 20940-37-8
formula: C8H6Cl2O3.C4H11N
inchikey: VQRSXYVRBBWVSQ-UHFFFAOYSA-N
norman_susdat_id: NS00084725
smiles: CC[NH2+]CC.[O-]C(=O)COc1ccc(Cl)cc1Cl
inchi:
InChI=1/C8H6Cl2O3.C4H11N/c9-5-1-2-7(6(10)3-5)13-4-8(11)12;1-3-5-4-2/h1-3H,4H2,(H,11,12);5H,3-4H2,1-2H3


name: Tetrakis(diethyldithiocarbamato-S,S')tellurium
cas: 20941-65-5
formula: C20H40N4S8Te
inchikey: DADTZHAWDPZVFJ-UHFFFAOYSA-N
norman_susdat_id: NS00084438
smiles: CCN(CC)C(=S)S[Te](SC(=S)N(CC)CC)(SC(=S)N(CC)CC)SC(=S)N(CC)CC
inchi:
InChI=1/C20H40N4S8Te/c1-9-21(10-2)17(25)29-33(30-18(26)22(11-3)12-4,31-19(27)23(13-5)14-6)32-20(28)24(15-7)16-8/h9-16H2,1-8H3


name: Vx-745
cas: 209410-46-8
chebiid: CHEBI:90528
dtxsid: DTXSID90175115
formula: C19H9Cl2F2N3OS
inchikey: VEPKQEUBKLEPRA-UHFFFAOYSA-N
norman_susdat_id: NS00070857
pubchem_cid: 3038525
smiles: O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl
inchi:
InChI=1S/C19H9Cl2F2N3OS/c20-11-2-1-3-12(21)17(11)18-14-5-7-16(25-26(14)9-24-19(18)27)28-15-6-4-10(22)8-13(15)23/h1-9H


name: JWH 071
cas: 209414-05-1
chemspiderid: 24750959
formula: C21H17N1O1
inchikey: DFUBISUWTFPBFB-UHFFFAOYSA-N
norman_susdat_id: NS00017623
pubchem_cid: 50878595
smiles: CCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43
inchi:
InChI=1S/C21H17NO/c1-2-22-14-19(17-11-5-6-13-20(17)22)21(23)18-12-7-9-15-8-3-4-10-16(15)18/h3-14H,2H2,1H3


name: JWH 072
cas: 209414-06-2
chemspiderid: 24629912
dtxsid: DTXSID50175116
formula: C22H19N1O1
inchikey: IVLWWVXVWRIXSS-UHFFFAOYSA-N
norman_susdat_id: NS00017739
pubchem_cid: 45271208
smiles: CCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43
inchi:
InChI=1S/C22H19NO/c1-2-14-23-15-20(18-11-5-6-13-21(18)23)22(24)19-12-7-9-16-8-3-4-10-17(16)19/h3-13,15H,2,14H2,1H3


name: 1-Pentyl-3-(1-naphthoyl) indole
cas: 209414-07-3
chemspiderid: 8558143
dtxsid: DTXSID10175117
formula: C24H23N1O1
inchikey: JDNLPKCAXICMBW-UHFFFAOYSA-N
norman_susdat_id: NS00010391
pubchem_cid: 10382701
smiles: CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43
inchi:
InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3


name: JWH-019
cas: 209414-08-4
chemspiderid: 24598813
dtxsid: DTXSID70175118
formula: C25H25N1O1
inchikey: PALJPGHWDUHUPO-UHFFFAOYSA-N
norman_susdat_id: NS00010124
pubchem_cid: 52224389
smiles: CCCCCCn1cc(C(=O)c2cccc3ccccc23)c2ccccc12
inchi:
InChI=1S/C25H25NO/c1-2-3-4-9-17-26-18-23(21-14-7-8-16-24(21)26)25(27)22-15-10-12-19-11-5-6-13-20(19)22/h5-8,10-16,18H,2-4,9,17H2,1H3


name: JWH 020
cas: 209414-09-5
chemspiderid: 8582240
formula: C26H27N1O1
inchikey: IHKDUDCDUKFOKK-UHFFFAOYSA-N
norman_susdat_id: NS00017580
pubchem_cid: 10406802
smiles: CCCCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43
inchi:
InChI=1S/C26H27NO/c1-2-3-4-5-10-18-27-19-24(22-15-8-9-17-25(22)27)26(28)23-16-11-13-20-12-6-7-14-21(20)23/h6-9,11-17,19H,2-5,10,18H2,1H3


name: JWH 022
cas: 209414-16-4
chemspiderid: 6813
formula: C24H21N1O1
inchikey: IVVCMEGHVSDGFJ-UHFFFAOYSA-N
norman_susdat_id: NS00018384
pubchem_cid: 91936930
smiles: C=CCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43
inchi:
InChI=1S/C24H21NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h2,4-7,9-15,17H,1,3,8,16H2


name: Ceftobiprole
cas: 209467-52-7
chemspiderid: 23317918
dtxsid: DTXSID40870229
formula: C20H22N8O6S2
inchikey: LXLDMYXULSBRCX-UHFFFAOYSA-N
norman_susdat_id: NS00040659
pubchem_cid: 12993649
smiles: NC1=NC(NS1)=C(N=O)C(=O)NC1C2SCC(C=C3CCN(C4CCNC4)C3=O)=C(N2C1=O)C(O)=O
inchi:
InChI=1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10,12,18,22,26H,1-4,6-7H2,(H2,21,24)(H,23,29)(H,32,33)


cas: 209482-18-8
dtxsid: DTXSID20883034
norman_susdat_id: NS00109640
name:
1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, ion(1-), 1-(4-butoxy-1-naphthalenyl)tetrahydrothiophenium


name: Bis[4-(glycidyloxy)phenyl]methane
cas: 2095-03-6
chebiid: CHEBI:142451
chemspiderid: 82632
dtxsid: DTXSID4044872
formula: C19H20O4
inchikey: XUCHXOAWJMEFLF-UHFFFAOYSA-N
norman_susdat_id: NS00007399
pubchem_cid: 91511
smiles: C(Oc1ccc(Cc2ccc(OCC3CO3)cc2)cc1)C1CO1
inchi:
InChI=1S/C19H20O4/c1-5-16(20-10-18-12-22-18)6-2-14(1)9-15-3-7-17(8-4-15)21-11-19-13-23-19/h1-8,18-19H,9-13H2


name: Tetraammonium cerium tetrakis(sulphate)
cas: 2095-46-5
formula: Ce.4H3N.4H2O4S
inchi: InChI=1/Ce.4H3N.4H2O4S/c;;;;;4*1-5(2,3)4/h;4*1H3;4*(H2,1,2,3,4)/q+3;;;;;;;;/p-4
inchikey: RWLNNACVLKOXAQ-UHFFFAOYSA-J
norman_susdat_id: NS00082177
smiles:
[NH4+].[NH4+].[NH4+].[NH4+].[Ce+3].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-]


name: Asteromycin
cas: 2096-42-6
chemspiderid: 8179088
formula: C16H25N7O8
inchikey: AMNAZJFEONUVTD-JSIPAXRHSA-N
norman_susdat_id: NS00011846
pubchem_cid: 10003508
smiles: O=C(NC(C(=O)N[C@@H]2[C@H](O[C@@H](N1C(=O)N=C(N)/C=C/1)[C@H](O)[C@H]2O)C(=O)N)CO)CNC
inchi:
InChI=1S/C16H25N7O8/c1-19-4-8(25)20-6(5-24)14(29)22-9-10(26)11(27)15(31-12(9)13(18)28)23-3-2-7(17)21-16(23)30/h2-3,6,9-12,15,19,24,26-27H,4-5H2,1H3,(H2,18,28)(H,20,25)(H,22,29)(H2,17,21,30)/t6?,9-,10-,11+,12-,15+/m0/s1


name: Magnesium 3-(acetylamino)-5-(acetylmethylamino)-2,4,6-triiodobenzoate (1:2)
cas: 20968-37-0
formula: C12H11I3N2O4.1/2Mg
inchikey: AHTNUOKBKIIABW-UHFFFAOYSA-L
norman_susdat_id: NS00085403
smiles: [MgH2].CC(=O)CNc1c(I)c(NC(=O)C)c(I)c(C(=O)[O-])c1I.CC(=O)CNc2c(I)c(NC(=O)C)c(I)c(C(=O)[O-])c2I
inchi:
InChI=1/2C12H11I3N2O4.Mg.2H/c2*1-4(18)3-16-10-7(13)6(12(20)21)8(14)11(9(10)15)17-5(2)19;;;/h2*16H,3H2,1-2H3,(H,17,19)(H,20,21);;;/q;;+2;;/p-2/r2C12H11I3N2O4.H2Mg/c2*1-4(18)3-16-10-7(13)6(12(20)21)8(14)11(9(10)15)17-5(2)19;/h2*16H,3H2,1-2H3,(H,17,19)(H,20,21);1H2/q;;+2/p-2


name: N(sup 1)-(2-Hydroxyethyl)flurazepam
cas: 20971-53-3
chemspiderid: 28235
dtxsid: DTXSID10175152
formula: C17H14Cl1F1N2O2
inchikey: FOCBRQQHNOKOJQ-UHFFFAOYSA-N
norman_susdat_id: NS00003311
pubchem_cid: 30401
smiles: OCCN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1F
inchi:
InChI=1S/C17H14ClFN2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)20-10-16(23)21(15)7-8-22/h1-6,9,22H,7-8,10H2


name: Anatibant
cas: 209733-45-9
chebiid: CHEBI:138828
dtxsid: DTXSID40175160
formula: C34H36Cl2N6O5S
inchikey: XUHBBTKJWIBQMY-MHZLTWQESA-N
norman_susdat_id: NS00072638
pubchem_cid: 9831652
smiles: Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)NCCCNC(=O)c4ccc(C(=N)N)cc4)c3Cl)c2n1
inchi:
InChI=1S/C34H36Cl2N6O5S/c1-20-18-21(2)41-31-24(20)6-3-8-28(31)47-19-25-26(35)13-14-29(30(25)36)48(45,46)42-17-4-7-27(42)34(44)40-16-5-15-39-33(43)23-11-9-22(10-12-23)32(37)38/h3,6,8-14,18,27H,4-5,7,15-17,19H2,1-2H3,(H3,37,38)(H,39,43)(H,40,44)/t27-/m0/s1


name: Entinostat
cas: 209783-80-2
chebiid: CHEBI:132082
dtxsid: DTXSID0041068
formula: C21H20N4O3
inchikey: INVTYAOGFAGBOE-UHFFFAOYSA-N
norman_susdat_id: NS00068485
pubchem_cid: 4261
smiles: Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1
inchi:
InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)


name: Forodesine
cas: 209799-67-7
chebiid: CHEBI:43362
dtxsid: DTXSID10870231
formula: C11H14N4O4
inchikey: IWKXDMQDITUYRK-KUBHLMPHSA-N
norman_susdat_id: NS00070855
smiles: O=c1[nH]cnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12
inchi:
InChI=1S/C11H14N4O4/c16-2-5-9(17)10(18)7(15-5)4-1-12-8-6(4)13-3-14-11(8)19/h1,3,5,7,9-10,12,15-18H,2H2,(H,13,14,19)/t5-,7+,9-,10+/m1/s1


name: 17-Hydroxy-1 alpha,2 alpha-methylene-4,6-pregnadiene-3,20-dione
cas: 2098-65-9
chemspiderid: 8172956
formula: C22H28O3
inchikey: HEQOAVAMLQHQHC-BCJMKXOLSA-N
norman_susdat_id: NS00009968
pubchem_cid: 9997375
smiles: CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3C=CC4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@H]3CC[C@]12C
inchi:
InChI=1S/C22H28O3/c1-12(23)22(25)9-7-16-14-5-4-13-10-19(24)15-11-18(15)21(13,3)17(14)6-8-20(16,22)2/h4-5,10,14-18,25H,6-9,11H2,1-3H3/t14-,15+,16-,17-,18-,20-,21-,22-/m0/s1


name: Cyproterone
cas: 2098-66-0
chemspiderid: 4447594
dtxsid: DTXSID3022873
formula: C22H27Cl1O3
inchikey: DUSHUSLJJMDGTE-LXMMIWJPSA-N
norman_susdat_id: NS00003858
pubchem_cid: 16417
smiles: CC(=O)[C@@]1(O)CCC2C3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5C4(C)C3CCC12C
inchi:
InChI=1S/C22H27ClO3/c1-11(24)22(26)7-5-14-12-9-18(23)17-10-19(25)13-8-16(13)21(17,3)15(12)4-6-20(14,22)2/h9-10,12-16,26H,4-8H2,1-3H3/t12?,13-,14?,15?,16+,20?,21?,22+/m1/s1


cas: 20981-12-8
dtxsid: DTXSID60864968
formula: C39H28F3N5O5
inchikey: JUYFCILENJXBKA-UHFFFAOYSA-N
norman_susdat_id: NS00051382
pubchem_cid: NA
name:
N-[4-(benzoylamino)phenyl]-3-hydroxy-4-[[2-methoxy-5-[[[3-(trifluoromethyl)phenyl]amino]carbonyl]phenyl]azo]naphthalene-2-carboxamide

inchi:
InChI=1/C39H28F3N5O5/c1-52-33-19-14-25(37(50)45-29-12-7-11-26(22-29)39(40,41)42)21-32(33)46-47-34-30-13-6-5-10-24(30)20-31(35(34)48)38(51)44-28-17-15-27(16-18-28)43-36(49)23-8-3-2-4-9-23/h2-22,48H,1H3,(H,43,49)(H,44,51)(H,45,50)

smiles:
O=C(NC1=CC=C(C=C1)NC(=O)C2=CC=3C=CC=CC3C(N=NC4=CC(=CC=C4OC)C(=O)NC5=CC=CC(=C5)C(F)(F)F)=C2O)C=6C=CC=CC6


name: Ytterbium(3+) acetate
cas: 20981-49-1
formula: C2H4O2.1/3Yb
inchikey: OSCVBYCJUSOYPN-UHFFFAOYSA-K
norman_susdat_id: NS00084471
smiles: [Yb+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-]
inchi:
InChI=1/3C2H4O2.Yb.2H/c3*1-2(3)4;;;/h3*1H3,(H,3,4);;;/q;;;+3;;/p-3/r3C2H4O2.H2Yb/c3*1-2(3)4;/h3*1H3,(H,3,4);1H2/q;;;+3/p-3


name: 5-ethyl-5-phenylbarbituric acid, calcium salt
cas: 2098-48-0
formula: C12H12N2O3.xCa
inchikey: HUHBZVDRPSZCCS-UHFFFAOYSA-L
norman_susdat_id: NS00081800
smiles: CCC1(C(=O)N=C2O[Ca]OC1=N2)c3ccccc3
inchi:
InChI=1/C12H12N2O3.Ca/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16;/h3-7H,2H2,1H3,(H2,13,14,15,16,17);/q;+2/p-2


name: Cilansetron
cas: 209859-87-0
dtxsid: DTXSID40152951
formula: C20H21N3O
inchikey: NCNFDKWULDWJDS-OAHLLOKOSA-N
norman_susdat_id: NS00068100
pubchem_cid: 6918107
smiles: Cc1nccn1C[C@H]1CCc2c(c3cccc4c3n2CCC4)C1=O
inchi:
InChI=1S/C20H21N3O/c1-13-21-9-11-22(13)12-15-7-8-17-18(20(15)24)16-6-2-4-14-5-3-10-23(17)19(14)16/h2,4,6,9,11,15H,3,5,7-8,10,12H2,1H3/t15-/m1/s1


name: Tafluprost
cas: 209860-87-7
chemspiderid: 4938289
formula: C25H34F2O5
inchikey: WSNODXPBBALQOF-ZHDUIJGQSA-N
norman_susdat_id: NS00001192
pubchem_cid: 6433101
smiles: CCC(C)OC(=O)CCC/C=C\C[C@H]1[C@H](C[C@H]([C@@H]1/C=C/C(COC2=CC=CC=C2)(F)F)O)O
inchi:
InChI=InChI=1S/C25H34F2O5/c1-18(2)32-24(30)13-9-4-3-8-12-20-21(23(29)16-22(20)28)14-15-25(26,27)17-31-19-10-6-5-7-11-19/h3,5-8,10-11,14-15,18,20-23,28-29H,4,9,12-13,16-17H2,1-2H3/b8-3+,15-14+


name: 4,5-Dihydro-5,5-diphenyl-1,2-oxazole-3-carboxylic acid
cas: 209866-92-2
chebiid: CHEBI:132496
chemspiderid: 4953635
dtxsid: DTXSID80175200
formula: C16H13N1O3
inchikey: ITGSCCPVERXFGN-UHFFFAOYSA-N
norman_susdat_id: NS00007282
pubchem_cid: 6451156
smiles: OC(=O)C1=NOC(C1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C16H13NO3/c18-15(19)14-11-16(20-17-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,19)


name: Androst-5-ene-(3ß,17ß)-diyl diacetate
cas: 2099-26-5
dtxsid: DTXSID10943297
formula: C23H34O4
inchikey: QXKRUGDXPWHXHL-UHFFFAOYSA-N
norman_susdat_id: NS00045400
pubchem_cid: 540889
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C(OC(=O)C)CCC34)C2(C)CC1)C
inchi:
InChI=1/C23H34O4/c1-14(24)26-17-9-11-22(3)16(13-17)5-6-18-19-7-8-21(27-15(2)25)23(19,4)12-10-20(18)22/h5,17-21H,6-13H2,1-4H3


cas: 20991-71-3
dtxsid: DTXSID70943298
formula: C43H66O15
inchikey: RNBLZKNCMWHSIG-UHFFFAOYSA-N
norman_susdat_id: NS00052153
pubchem_cid: 89409
name:
Card-20(22)-enolide, 12-(acetyloxy)-3-[(O-2,6-dideoxy-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/C43H66O15/c1-20-38(49)30(45)16-36(52-20)57-40-22(3)54-37(18-32(40)47)58-39-21(2)53-35(17-31(39)46)56-26-9-11-41(5)25(14-26)7-8-28-29(41)15-33(55-23(4)44)42(6)27(10-12-43(28,42)50)24-13-34(48)51-19-24/h13,20-22,25-33,35-40,45-47,49-50H,7-12,14-19H2,1-6H3

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


cas: 21016-00-2
formula: C20H20N4O13S3
inchikey: XWBRDSPQNJLYFS-UHFFFAOYSA-N
norman_susdat_id: NS00052154
pubchem_cid: 89410
smiles: O=C(O)C1=NN(C(=O)C1N=NC=2C=C(C(=CC2OC)S(=O)(=O)CCOS(=O)(=O)O)C)C3=CC=C(C=C3)S(=O)(=O)O
name:
4,5-dihydro-4-[[2-methoxy-5-methyl-4-[[2-(sulphooxy)ethyl]sulphonyl]phenyl]azo]-5-oxo-1-(4-sulphophenyl)-1H-pyrazole-3-carboxylic acid

inchi:
InChI=1/C20H20N4O13S3/c1-11-9-14(15(36-2)10-16(11)38(28,29)8-7-37-40(33,34)35)21-22-17-18(20(26)27)23-24(19(17)25)12-3-5-13(6-4-12)39(30,31)32/h3-6,9-10,17H,7-8H2,1-2H3,(H,26,27)(H,30,31,32)(H,33,34,35)


cas: 21016-19-3
dtxsid: DTXSID80885155
formula: C49H43O2
inchikey: XOVPRRKXGIHBEJ-UHFFFAOYSA-M
norman_susdat_id: NS00052155
pubchem_cid: NA
name:
8-[5-(6,7-dihydro-6-methyl-2,4-diphenyl-5H-1-benzopyran-8-yl)penta-2,4-dienylidene]-5,6,7,8-tetrahydro-6-methyl-2,4-diphenyl-1-benzopyrylium perchlorate

inchi:
InChI=1/C49H43O2.ClHO4/c1-34-28-40(48-44(30-34)42(36-18-8-3-9-19-36)32-46(50-48)38-22-12-5-13-23-38)26-16-7-17-27-41-29-35(2)31-45-43(37-20-10-4-11-21-37)33-47(51-49(41)45)39-24-14-6-15-25-39;2-1(3,4)5/h3-27,32-35H,28-31H2,1-2H3;(H,2,3,4,5)/q+1;/p-1

smiles:
O=Cl(=O)(=O)[O-].O1C(=CC(C=2C=CC=CC2)=C3C1=C(C=CC=CC=C4C5=[O+]C(=CC(C=6C=CC=CC6)=C5CC(C)C4)C=7C=CC=CC7)CC(C)C3)C=8C=CC=CC8


name: (1-Butyl-1H-indol-3-yl)(4-methoxynaphthalen-1-yl)methanone
cas: 210179-44-5
chemspiderid: 8721658
dtxsid: DTXSID20441597
formula: C24H23N1O2
inchikey: PGOAKRPGOLHODL-UHFFFAOYSA-N
norman_susdat_id: NS00017937
pubchem_cid: 10546267
smiles: CCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=C(C4=CC=CC=C43)OC
inchi:
InChI=1S/C24H23NO2/c1-3-4-15-25-16-21(18-10-7-8-12-22(18)25)24(26)20-13-14-23(27-2)19-11-6-5-9-17(19)20/h5-14,16H,3-4,15H2,1-2H3


name: JWH-081
cas: 210179-46-7
chemspiderid: 8722599
dtxsid: DTXSID80175225
formula: C25H25N1O2
inchikey: UBMPKJKGUQDHRM-UHFFFAOYSA-N
norman_susdat_id: NS00002520
pubchem_cid: 10547208
smiles: CCCCCn1cc(C(=O)c2ccc(OC)c3ccccc23)c2ccccc12
inchi:
InChI=1S/C25H25NO2/c1-3-4-9-16-26-17-22(19-11-7-8-13-23(19)26)25(27)21-14-15-24(28-2)20-12-6-5-10-18(20)21/h5-8,10-15,17H,3-4,9,16H2,1-2H3


name: Z-ala-pro-oh
cas: 21027-01-0
dtxsid: DTXSID50318627
formula: C16H20N2O5
inchikey: RSSOZTMMMIWOJB-AAEUAGOBSA-N
norman_susdat_id: NS00068678
pubchem_cid: 5388928
smiles: C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)O
inchi:
InChI=1S/C16H20N2O5/c1-11(14(19)18-9-5-8-13(18)15(20)21)17-16(22)23-10-12-6-3-2-4-7-12/h2-4,6-7,11,13H,5,8-10H2,1H3,(H,17,22)(H,20,21)/t11-,13-/m0/s1


name: Gallein
cas: 2103-64-2
chebiid: CHEBI:88294
chemspiderid: 66334
dtxsid: DTXSID5062180
formula: C20H12O7
inchikey: PHLYOKFVXIVOJC-UHFFFAOYSA-N
norman_susdat_id: NS00021057
pubchem_cid: 73685
smiles: Oc1ccc2c(Oc3c(ccc(O)c3O)C32OC(=O)c2c3cccc2)c1O
inchi:
InChI=1S/C20H12O7/c21-13-7-5-11-17(15(13)23)26-18-12(6-8-14(22)16(18)24)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,21-24H


name: 3,6-bis[(5-chloro-2-hydroxy-3-sulphophenyl)azo]-4,5-dihydroxynaphthalene-2,7-disulphonic acid
cas: 2103-73-3
formula: C22H14Cl2N4O16S4
inchikey: XDNFKABIVXQRES-UHFFFAOYSA-N
norman_susdat_id: NS00046066
pubchem_cid: 135445764
inchi:
InChI=1/C22H14Cl2N4O16S4/c23-8-3-10(19(29)14(5-8)47(39,40)41)25-27-17-12(45(33,34)35)1-7-2-13(46(36,37)38)18(22(32)16(7)21(17)31)28-26-11-4-9(24)6-15(20(11)30)48(42,43)44/h1-6,29-32H,(H,33,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)

smiles:
O=S(=O)(O)C=1C=C(Cl)C=C(N=NC2=C(O)C=3C(O)=C(N=NC4=CC(Cl)=CC(=C4O)S(=O)(=O)O)C(=CC3C=C2S(=O)(=O)O)S(=O)(=O)O)C1O


name: 1-deoxy-1-[2-(phenylazo)-3,4-xylidino]-D-ribitol
cas: 21037-25-2
formula: C19H25N3O4
inchikey: BVMBLTCSAVCYFW-UHFFFAOYSA-N
norman_susdat_id: NS00050870
pubchem_cid: 89417
smiles: OCC(O)C(O)C(O)CNC1=CC=C(C(=C1N=NC=2C=CC=CC2)C)C
inchi:
InChI=1/C19H25N3O4/c1-12-8-9-15(20-10-16(24)19(26)17(25)11-23)18(13(12)2)22-21-14-6-4-3-5-7-14/h3-9,16-17,19-20,23-26H,10-11H2,1-2H3


name: 1-deoxy-1-(6-phenylazo-3,4-xylidino)-D-ribitol
cas: 21037-26-3
formula: C19H25N3O4
inchikey: NARUXRZZSJCXFJ-UHFFFAOYSA-N
norman_susdat_id: NS00050406
pubchem_cid: 617164
smiles: OCC(O)C(O)C(O)CNC=1C=C(C(=CC1N=NC=2C=CC=CC2)C)C
inchi:
InChI=1/C19H25N3O4/c1-12-8-15(20-10-17(24)19(26)18(25)11-23)16(9-13(12)2)22-21-14-6-4-3-5-7-14/h3-9,17-20,23-26H,10-11H2,1-2H3


name: 1,1'-ethylenebis[4,5-dihydro-2-heptadecyl-1H-imidazole]
cas: 21037-88-7
dtxsid: DTXSID40175241
formula: C42H82N4
inchikey: RWHVJWKRVJWWAM-UHFFFAOYSA-N
norman_susdat_id: NS00050407
pubchem_cid: 88759
smiles: N1=C(N(CC1)CCN2C(=NCC2)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C42H82N4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-41-43-35-37-45(41)39-40-46-38-36-44-42(46)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3


name: (S)-1-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6-methoxy-2-methylisoquinolin-7-ol
cas: 21040-59-5
chebiid: CHEBI:145336
formula: C20H25NO4
inchikey: OKORHWXYDBSYNO-INIZCTEOSA-N
norman_susdat_id: NS00051659
pubchem_cid: 20056510
smiles: OC=1C=C2C(=CC1OC)CCN(C)C2CC3=CC=C(OC)C(OC)=C3
inchi:
InChI=1/C20H25NO4/c1-21-8-7-14-11-19(24-3)17(22)12-15(14)16(21)9-13-5-6-18(23-2)20(10-13)25-4/h5-6,10-12,16,22H,7-9H2,1-4H3


name: Sitaxentan
cas: 210421-64-0
chebiid: CHEBI:135736
chemspiderid: 187436
dtxsid: DTXSID0057673
formula: C18H15Cl1N2O6S2
inchikey: PHWXUGHIIBDVKD-UHFFFAOYSA-N
norman_susdat_id: NS00008319
pubchem_cid: 216235
smiles: Cc1noc(NS(=O)(=O)c2ccsc2C(=O)Cc2cc3OCOc3cc2C)c1Cl
inchi:
InChI=1S/C18H15ClN2O6S2/c1-9-5-13-14(26-8-25-13)7-11(9)6-12(22)17-15(3-4-28-17)29(23,24)21-18-16(19)10(2)20-27-18/h3-5,7,21H,6,8H2,1-2H3


name: Potassium heptadecafluorononanoate
cas: 21049-38-7
dtxsid: DTXSID70896634
formula: C9F17KO2
inchikey: IAGFBXHIFWZSIJ-UHFFFAOYSA-M
norman_susdat_id: NS00111506
smiles: [K+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C9HF17O2.K/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26;/h(H,27,28);/q;+1/p-1


name: Sodium heptadecafluorononanoate
cas: 21049-39-8
dtxsid: DTXSID50896632
formula: C9F17NaO2
inchikey: HMGYIWSXCDCHRF-UHFFFAOYSA-M
norman_susdat_id: NS00110811
smiles: [Na+].[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/C9HF17O2.Na/c10-2(11,1(27)28)3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)26;/h(H,27,28);/q;+1/p-1


name: (5E)-7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-Heptadecafluorotetradec-5-ene
cas: 210491-04-6
dtxsid: DTXSID30895461
formula: C14H11F17
inchikey: NOHLLTHGANBXNS-AATRIKPKSA-N
norman_susdat_id: NS00110033
smiles: CCCCC=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/C14H11F17/c1-2-3-4-5-6-7(15,16)8(17,18)9(19,20)10(21,22)11(23,24)12(25,26)13(27,28)14(29,30)31/h5-6H,2-4H2,1H3/b6-5+


cas: 2105-43-3
formula: C17H26N4O3S2.ClH
inchikey: OPGOLNDOMSBSCW-UHFFFAOYSA-N
norman_susdat_id: NS00082142
smiles: Cl.Cc2ncc(CN(C=O)C(C)=C(SSCC1CCCO1)CCO)c(N)n2
name:
N-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[4-hydroxy-1-methyl-2-[(tetrahydrofurfuryl)dithio]but-1-en-1-yl]formamide monohydrochloride

inchi:
InChI=1/C17H26N4O3S2.ClH/c1-12(16(5-6-22)26-25-10-15-4-3-7-24-15)21(11-23)9-14-8-19-13(2)20-17(14)18;/h8,11,15,22H,3-7,9-10H2,1-2H3,(H2,18,19,20);1H


cas: 2105-44-4
formula: C26H26N4O4S
inchikey: WKJRADNPDIGMME-UHFFFAOYSA-N
norman_susdat_id: NS00046099
pubchem_cid: 71435962
smiles: Cl.O=C(OCCC(SC(=O)C=1C=CC=CC1)=C(NC(=O)CC2=CN=C(N=C2N)C)C)C=3C=CC=CC3
name:
S-[2-[[(4-amino-2-methylpyrimidin-5-yl)methyl]formylamino]-1-[2-(benzoyloxy)ethyl]prop-1-en-1-yl] benzenecarbothioate monohydrochloride

inchi:
InChI=1/C26H26N4O4S.ClH/c1-17(29-23(31)15-21-16-28-18(2)30-24(21)27)22(35-26(33)20-11-7-4-8-12-20)13-14-34-25(32)19-9-5-3-6-10-19;/h3-12,16H,13-15H2,1-2H3,(H,29,31)(H2,27,28,30);1H


name: 3-benzyl-1-dodecyl-2-methyl-1H-imidazolium chloride
cas: 21054-72-8
dtxsid: DTXSID80943360
formula: C23H38N2
inchikey: QGDOHWWGCVCWLK-UHFFFAOYSA-N
norman_susdat_id: NS00051698
pubchem_cid: 21116426
smiles: [Cl-].C=1C=CC(=CC1)CN2C=C[NH+](CCCCCCCCCCCC)C2C
inchi:
InChI=1/C23H38N2.ClH/c1-3-4-5-6-7-8-9-10-11-15-18-24-19-20-25(22(24)2)21-23-16-13-12-14-17-23;/h12-14,16-17,19-20,22H,3-11,15,18,21H2,1-2H3;1H


name: Bis[2-[ethyl[(perfluorooctyl)sulfonyl]amino]ethyl] (4-methyl-1,3-phenylene)-bis(carbamate)
cas: 21055-88-9
chemspiderid: 146924
dtxsid: DTXSID9066673
formula: C33H26F34N4O8S2
inchikey: UTFFCBMSUHQFKN-UHFFFAOYSA-N
norman_susdat_id: NS00011351
pubchem_cid: 167959
inchi:
InChI=1S/C33H26F34N4O8S2/c1-4-70(80(74,75)32(64,65)28(54,55)24(46,47)20(38,39)18(34,35)22(42,43)26(50,51)30(58,59)60)8-10-78-16(72)68-14-7-6-13(3)15(12-14)69-17(73)79-11-9-71(5-2)81(76,77)33(66,67)29(56,57)25(48,49)21(40,41)19(36,37)23(44,45)27(52,53)31(61,62)63/h6-7,12H,4-5,8-11H2,1-3H3,(H,68,72)(H,69,73)

smiles:
C1=C(NC(OCCN([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC)=O)C(=CC=C1NC(OCCN([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC)=O)C


name: Phenol, 4-dodecyl-, branched
cas: 210555-94-5
chemspiderid: 17215706
dtxsid: DTXSID8029864
formula: C18H30O1
inchikey: ZLIZUPQZVMVLPA-UHFFFAOYSA-N
norman_susdat_id: NS00019789
pubchem_cid: 22833471
smiles: CCC(C)CC(C)CC(C)CCC1=CC=C(O)C=C1
inchi:
InChI=1S/C18H30O/c1-5-14(2)12-16(4)13-15(3)6-7-17-8-10-18(19)11-9-17/h8-11,14-16,19H,5-7,12-13H2,1-4H3/t14-,15+,16-/m1/s1


name: Methyl 3a-[(ethoxycarbonyl)oxy]-12a-hydroxy-7-oxo-5ß-cholan-24-oate
cas: 21059-40-5
dtxsid: DTXSID60943368
formula: C28H44O7
inchikey: JSTLLHLKEQTGOF-MKJFDHOESA-N
norman_susdat_id: NS00051722
pubchem_cid: 11156124
smiles: O=C(OCC)OC1CCC2(C)C(CC(=O)C3C4CCC(C(C)CCC(=O)OC)C4(C)C(O)CC32)C1
inchi:
InChI=1/C28H44O7/c1-6-34-26(32)35-18-11-12-27(3)17(13-18)14-22(29)25-20-9-8-19(16(2)7-10-24(31)33-5)28(20,4)23(30)15-21(25)27/h16-21,23,25,30H,6-15H2,1-5H3


name: Methyl 3a-[(ethoxycarbonyl)oxy]-7,12-dioxo-5ß-cholan-24-oate
cas: 21059-42-7
dtxsid: DTXSID20943369
formula: C28H42O7
inchikey: ZVEMQMLASDHXDY-WCRLLZLGSA-N
norman_susdat_id: NS00050923
pubchem_cid: 21116486
smiles: O=C(OCC)OC1CCC2(C)C(CC(=O)C3C2CC(=O)C4(C)C3CCC4C(C)CCC(=O)OC)C1
inchi:
InChI=1/C28H42O7/c1-6-34-26(32)35-18-11-12-27(3)17(13-18)14-22(29)25-20-9-8-19(16(2)7-10-24(31)33-5)28(20,4)23(30)15-21(25)27/h16-21,25H,6-15H2,1-5H3


name: Methyl icosa-8,11,14-trienoate
cas: 21061-10-9
chemspiderid: 453064
dtxsid: DTXSID90334008
formula: C21H36O2
inchikey: QHATYOWJCAQINT-JPFHKJGASA-N
norman_susdat_id: NS00017196
pubchem_cid: 5363092
smiles: CCCCCC=CCC=CCC=CCCCCCCC(=O)OC
inchi:
InChI=1S/C21H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-2/h7-8,10-11,13-14H,3-6,9,12,15-20H2,1-2H3/b8-7-,11-10-,14-13-


name: Topramezone
cas: 210631-68-8
chebiid: CHEBI:131999
chemspiderid: 11388586
dtxsid: DTXSID0034722
formula: C16H17N3O5S1
inchikey: IYMLUHWAJFXAQP-UHFFFAOYSA-N
norman_susdat_id: NS00021846
pubchem_cid: NA
smiles: Cn1ncc(C(=O)c2c(C)c(C3=NOCC3)c(cc2)S(=O)(=O)C)c1O
inchi:
InChI=1S/C16H17N3O5S/c1-9-10(15(20)11-8-17-19(2)16(11)21)4-5-13(25(3,22)23)14(9)12-6-7-24-18-12/h4-5,8,21H,6-7H2,1-3H3


name: 1,5,9-Cyclododecatriene, 1,5,9-trimethyl-
cas: 21064-19-7
chemspiderid: 21172786
dtxsid: DTXSID4066674
formula: C15H24
inchikey: XOTMHDVYZZBKEJ-UHFFFAOYSA-N
norman_susdat_id: NS00026778
pubchem_cid: 88771
smiles: C/C/1=C/CC/C(=CCC/C(=CCC1)/C)/C
inchi:
InChI=1S/C15H24/c1-13-7-4-9-14(2)11-6-12-15(3)10-5-8-13/h7,10-11H,4-6,8-9,12H2,1-3H3/b13-7-,14-11-,15-10-


name: Orantinib
cas: 210644-62-5
dtxsid: DTXSID20861519
formula: C18H18N2O3
inchikey: NHFDRBXTEDBWCZ-ZROIWOOFSA-N
norman_susdat_id: NS00069381
pubchem_cid: 5329099
smiles: Cc1[nH]c(/C=C2C(=O)Nc3ccccc32)c(C)c1CCC(=O)O
inchi:
InChI=1S/C18H18N2O3/c1-10-12(7-8-17(21)22)11(2)19-16(10)9-14-13-5-3-4-6-15(13)20-18(14)23/h3-6,9,19H,7-8H2,1-2H3,(H,20,23)(H,21,22)/b14-9-


cas: 210706-50-6
chemspiderid: NA
formula: C38H60N2O8
inchikey: OFNQIOIGFHZHSY-UHFFFAOYSA-N
norman_susdat_id: NS00005361
pubchem_cid: 15475978
smiles: CCCCCCCCCCCCCCCCOC(=O)c1ccc(OC(C)C)c(NC(=O)C(N2C(=O)OC(C)(C)C2=O)C(=O)C(C)(C)C)c1
name:
hexadecyl 3-[2-(5,5-dimethyl-2,4-dioxo-1,3-oxazolidin-3-yl)-4,4-dimethyl-3-oxovaleramido]-4-isopropoxybenzoate

inchi:
InChI=1S/C38H60N2O8/c1-9-10-11-12-13-14-15-16-17-18-19-20-21-22-25-46-34(43)28-23-24-30(47-27(2)3)29(26-28)39-33(42)31(32(41)37(4,5)6)40-35(44)38(7,8)48-36(40)45/h23-24,26-27,31H,9-22,25H2,1-8H3,(H,39,42)


name: Stearic acid, compound with ethane-1,2-diamine (2:1)
cas: 21073-99-4
formula: C18H36O2.1/2C2H8N2
inchikey: KCWGHIAGIBAKFB-UHFFFAOYSA-N
norman_susdat_id: NS00085016
smiles: CCCCCCCCCCCCCCCCCC(=O)O.CCCCCCCCCCCCCCCCCC(=O)O.NCCN
inchi:
InChI=1/2C18H36O2.C2H8N2/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h2*2-17H2,1H3,(H,19,20);1-4H2


name: Gemcitabine elaidate
cas: 210829-30-4
dtxsid: DTXSID00175308
formula: C27H43F2N3O5
inchikey: HESSNRGIEVBPRB-QDDPNBLJSA-N
norman_susdat_id: NS00071055
pubchem_cid: 9828310
smiles: CCCCCCCC/C=C/CCCCCCCC(=O)OC[C@H]1O[C@@H](n2ccc(N)nc2=O)C(F)(F)[C@@H]1O
inchi:
InChI=1S/C27H43F2N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23(33)36-20-21-24(34)27(28,29)25(37-21)32-19-18-22(30)31-26(32)35/h9-10,18-19,21,24-25,34H,2-8,11-17,20H2,1H3,(H2,30,31,35)/b10-9+/t21-,24-,25-/m1/s1


name: 4-Imidazolidinone, 5,5-diphenyl-2-thioxo-
cas: 21083-47-6
chemspiderid: 746522
dtxsid: DTXSID9066677
formula: C15H12N2O1S1
inchikey: AMDPNECWKZZEBQ-UHFFFAOYSA-N
norman_susdat_id: NS00026784
pubchem_cid: 854150
smiles: O=C1NC(=S)NC1(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C15H12N2OS/c18-13-15(17-14(19)16-13,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H2,16,17,18,19)


name: DL-aspartic acid, compound with L-lysine (1:1)
cas: 21087-03-6
formula: C6H14N2O2.xC4H7NO4
inchikey: CPYVQXAASIFAMD-KNIFDHDWSA-N
norman_susdat_id: NS00084168
smiles: NCCCC[C@H](N)C(=O)O.N[C@@H](CC(=O)O)C(=O)O
inchi:
InChI=1/C6H14N2O2.C4H7NO4/c7-4-2-1-3-5(8)6(9)10;5-2(4(8)9)1-3(6)7/h5H,1-4,7-8H2,(H,9,10);2H,1,5H2,(H,6,7)(H,8,9)


name: Tribenzylamine hydrochloride
cas: 2108-73-4
formula: C21H21N.ClH
inchikey: BTDHNWBIBZPIDZ-UHFFFAOYSA-N
norman_susdat_id: NS00081137
smiles: Cl.C(N(Cc1ccccc1)Cc2ccccc2)c3ccccc3
inchi:
InChI=1/C21H21N.ClH/c1-4-10-19(11-5-1)16-22(17-20-12-6-2-7-13-20)18-21-14-8-3-9-15-21;/h1-15H,16-18H2;1H


name: 1-(1,3-Dimethylbutoxy)-2-(perfluorohexyl)ethane
cas: 210896-25-6
dtxsid: DTXSID30893366
formula: C14H17F13O
inchikey: REMSMUILZZYKPD-UHFFFAOYSA-N
norman_susdat_id: NS00109994
smiles: CC(C)CC(C)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C14H17F13O/c1-7(2)6-8(3)28-5-4-9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h7-8H,4-6H2,1-3H3


name: Hentriacontafluorohexadecanoyl fluoride
cas: 210972-74-0
dtxsid: DTXSID40895674
formula: C16F32O
inchikey: ILEPULLEPPEBPZ-UHFFFAOYSA-N
norman_susdat_id: NS00110390
inchi:
InChI=1S/C16F32O/c17-1(49)2(18,19)3(20,21)4(22,23)5(24,25)6(26,27)7(28,29)8(30,31)9(32,33)10(34,35)11(36,37)12(38,39)13(40,41)14(42,43)15(44,45)16(46,47)48

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


name: Sabarubicin
cas: 211100-13-9
dtxsid: DTXSID30870233
formula: C32H37NO13
inchikey: VQHRZZISQVWPLK-UIRGBLDSSA-N
norman_susdat_id: NS00069604
pubchem_cid: 151897
inchi:
InChI=1S/C32H37NO13/c1-12-26(37)17(33)7-21(43-12)46-31-13(2)44-22(8-18(31)35)45-19-10-32(42,20(36)11-34)9-16-23(19)30(41)25-24(29(16)40)27(38)14-5-3-4-6-15(14)28(25)39/h3-6,12-13,17-19,21-22,26,31,34-35,37,40-42H,7-11,33H2,1-2H3/t12-,13-,17-,18-,19-,21-,22-,26+,31+,32-/m0/s1

smiles:
C[C@@H]1O[C@@H](O[C@H]2[C@@H](O)C[C@H](O[C@H]3C[C@](O)(C(=O)CO)Cc4c(O)c5c(c(O)c43)C(=O)c3ccccc3C5=O)O[C@H]2C)C[C@H](N)[C@@H]1O


name: Platelet Activating Factor
cas: 211106-54-6
dtxsid: DTXSID10274371
formula: C26H55NO7P
inchikey: HVAUUPRFYPCOCA-AREMUKBSSA-O
norman_susdat_id: NS00070475
pubchem_cid: 108157
smiles: CCCCCCCCCCCCCCCCOC[C@H](CO[P@@](=O)(O)OCC[N+](C)(C)C)OC(C)=O
inchi:
InChI=1S/C26H54NO7P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-31-23-26(34-25(2)28)24-33-35(29,30)32-22-20-27(3,4)5/h26H,6-24H2,1-5H3/p+1/t26-/m1/s1


name: Sobetirome
cas: 211110-63-3
chebiid: CHEBI:79988
dtxsid: DTXSID60891557
formula: C20H24O4
inchikey: QNAZTOHXCZPOSA-UHFFFAOYSA-N
norman_susdat_id: NS00070852
pubchem_cid: 9862248
smiles: Cc1cc(OCC(=O)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1
inchi:
InChI=1S/C20H24O4/c1-12(2)17-9-15(5-6-19(17)21)10-18-13(3)7-16(8-14(18)4)24-11-20(22)23/h5-9,12,21H,10-11H2,1-4H3,(H,22,23)


name: 2-Hydroxy-4-(2-phenoxyethoxy)benzophenone
cas: 21112-68-5
chemspiderid: 80123
dtxsid: DTXSID20175340
formula: C21H18O4
inchikey: KRAXDLMUOHFJBZ-UHFFFAOYSA-N
norman_susdat_id: NS00026788
pubchem_cid: 88793
smiles: Oc1c(ccc(OCCOc2ccccc2)c1)C(=O)c1ccccc1
inchi:
InChI=1S/C21H18O4/c22-20-15-18(25-14-13-24-17-9-5-2-6-10-17)11-12-19(20)21(23)16-7-3-1-4-8-16/h1-12,15,22H,13-14H2


name: Sodium 2-[p-[[4-[(p-hydroxyphenyl)azo]-o-tolyl]azo]phenoxy]ethyl sulphate
cas: 21116-11-0
formula: C21H20N4O6S
inchikey: PNNSBILZHIFIEK-UHFFFAOYSA-M
norman_susdat_id: NS00050957
pubchem_cid: 161347
smiles: [Na+].O=S(=O)([O-])OCCOC1=CC=C(N=NC2=CC=C(N=NC3=CC=C(O)C=C3)C=C2C)C=C1
inchi:
InChI=1/C21H20N4O6S.Na/c1-15-14-18(24-22-16-2-7-19(26)8-3-16)6-11-21(15)25-23-17-4-9-20(10-5-17)30-12-13-31-32(27,28)29;/h2-11,14,26H,12-13H2,1H3,(H,27,28,29);/q;+1/p-1


name: Hydroxypropyl bispalmitamide monoethanolamide
cas: 211184-47-3
chemspiderid: 4509
dtxsid: DTXSID20175345
formula: C39H78N2O5
inchikey: PDRAHDYJNDYBNK-UHFFFAOYSA-N
norman_susdat_id: NS00026789
pubchem_cid: 11193108
smiles: CCCCCCCCCCCCCCCC(=O)N(CCO)CC(O)CN(CCO)C(=O)CCCCCCCCCCCCCCC
inchi:
InChI=1S/C39H78N2O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-38(45)40(31-33-42)35-37(44)36-41(32-34-43)39(46)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,42-44H,3-36H2,1-2H3


name: 2'-chloro-6'-(dimethylamino)-3'-methylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
cas: 21121-62-0
dtxsid: DTXSID90885161
formula: C23H18ClNO3
inchikey: HJHGXGDBGOPUTJ-UHFFFAOYSA-N
norman_susdat_id: NS00051760
pubchem_cid: 21116487
smiles: O=C1OC2(C3=CC=C(C=C3OC4=CC(=C(Cl)C=C42)C)N(C)C)C=5C=CC=CC15
inchi:
InChI=1/C23H18ClNO3/c1-13-10-20-18(12-19(13)24)23(16-7-5-4-6-15(16)22(26)28-23)17-9-8-14(25(2)3)11-21(17)27-20/h4-12H,1-3H3


name: 1,3-bis(pentafluorophenyl)urea
cas: 21132-30-9
dtxsid: DTXSID00175368
formula: C13H2F10N2O
inchikey: JXOIMJFRROBTTE-UHFFFAOYSA-N
norman_susdat_id: NS00050958
pubchem_cid: 88795
smiles: O=C(NC=1C(F)=C(F)C(F)=C(F)C1F)NC=2C(F)=C(F)C(F)=C(F)C2F
inchi:
InChI=1/C13H2F10N2O/c14-1-3(16)7(20)11(8(21)4(1)17)24-13(26)25-12-9(22)5(18)2(15)6(19)10(12)23/h(H2,24,25,26)


name: Pazoxide
cas: 21132-59-2
chemspiderid: 61824
dtxsid: DTXSID60175369
formula: C12H10Cl2N2O2S1
inchikey: NXRJFNBTRPERHV-UHFFFAOYSA-N
norman_susdat_id: NS00026791
pubchem_cid: 68550
smiles: Clc1c(Cl)cc2c(NC(=NS2(=O)=O)C2CC=CC2)c1
inchi:
InChI=1S/C12H10Cl2N2O2S/c13-8-5-10-11(6-9(8)14)19(17,18)16-12(15-10)7-3-1-2-4-7/h1-2,5-7H,3-4H2,(H,15,16)


name: 2,6-bis(o-isocyanatobenzyl)phenyl isocyanate
cas: 21132-81-0
dtxsid: DTXSID10943454
formula: C23H15N3O3
inchikey: BNOSAGKHYAMZGF-UHFFFAOYSA-N
norman_susdat_id: NS00050973
pubchem_cid: 88796
smiles: O=C=NC=1C=CC=CC1CC2=CC=CC(=C2N=C=O)CC=3C=CC=CC3N=C=O
inchi:
InChI=1/C23H15N3O3/c27-14-24-21-10-3-1-6-17(21)12-19-8-5-9-20(23(19)26-16-29)13-18-7-2-4-11-22(18)25-15-28/h1-11H,12-13H2


name: 3-[(6-deoxy-a-L-mannopyranosyl)oxy]-1-(ß-D-glucopyranosyloxy)-8-hydroxy-6-methylanthraquinone
cas: 21133-53-9
chebiid: CHEBI:80739
dtxsid: DTXSID70943455
formula: C27H30O14
inchikey: GPSQZOFVCVOOIE-QWVHOXPHSA-N
norman_susdat_id: NS00050959
pubchem_cid: 20054929
smiles: O=C1C=2C=C(OC3OC(C)C(O)C(O)C3O)C=C(OC4OC(CO)C(O)C(O)C4O)C2C(=O)C5=C(O)C=C(C=C15)C
inchi:
InChI=1/C27H30O14/c1-8-3-11-16(13(29)4-8)21(33)17-12(19(11)31)5-10(39-26-24(36)22(34)18(30)9(2)38-26)6-14(17)40-27-25(37)23(35)20(32)15(7-28)41-27/h3-6,9,15,18,20,22-30,32,34-37H,7H2,1-2H3


name: 2,2,8,8-tetramethyl-5,5-bis[[(trimethylsilyl)oxy]methyl]-3,7-dioxa-2,8-disilanonane
cas: 2114-25-2
dtxsid: DTXSID80175381
formula: C17H44O4Si4
inchikey: DCRQMOJXJXVZFC-UHFFFAOYSA-N
norman_susdat_id: NS00046174
pubchem_cid: 529479
smiles: O(CC(CO[Si](C)(C)C)(CO[Si](C)(C)C)CO[Si](C)(C)C)[Si](C)(C)C
inchi:
InChI=1/C17H44O4Si4/c1-22(2,3)18-13-17(14-19-23(4,5)6,15-20-24(7,8)9)16-21-25(10,11)12/h13-16H2,1-12H3


name: (2-hydroxypropyl)ammonium decyl sulphate
cas: 21142-28-9
formula: C12H26O4S.C3H9NO
inchikey: GDYMYAPCYPQZHA-UHFFFAOYSA-N
norman_susdat_id: NS00084502
smiles: CCCCCCCCCCOS(=O)(=O)[O-].CC(O)C[NH3+]
inchi:
InChI=1/C10H22O4S.C3H9NO/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13;1-3(5)2-4/h2-10H2,1H3,(H,11,12,13);3,5H,2,4H2,1H3


name: Davunetide
cas: 211439-12-2
formula: C36H60N10O12
inchikey: DWLTUUXCVGVRAV-XWRHUKJGSA-N
norman_susdat_id: NS00073018
pubchem_cid: 9832404
inchi:
InChI=1S/C36H60N10O12/c1-6-18(4)28(35(56)46-14-8-9-23(46)31(52)41-21(36(57)58)11-12-25(38)48)44-30(51)22(16-47)42-33(54)27(17(2)3)43-32(53)24-10-7-13-45(24)34(55)19(5)40-29(50)20(37)15-26(39)49/h17-24,27-28,47H,6-16,37H2,1-5H3,(H2,38,48)(H2,39,49)(H,40,50)(H,41,52)(H,42,54)(H,43,53)(H,44,51)(H,57,58)/t18-,19-,20-,21-,22-,23-,24-,27-,28-/m0/s1

smiles:
CC[C@H](C)[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@@H](N)CC(N)=O)C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)O


name: Hexa-2,4-dienoic palmitic anhydride
cas: 21146-90-7
formula: C22H38O3
inchikey: OOTYTVGIZQBKNB-UHFFFAOYSA-N
norman_susdat_id: NS00051763
pubchem_cid: 88799
smiles: O=C(OC(=O)CCCCCCCCCCCCCCC)C=CC=CC
inchi:
InChI=1/C22H38O3/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-20-22(24)25-21(23)19-17-6-4-2/h4,6,17,19H,3,5,7-16,18,20H2,1-2H3


name: Dendrobine
cas: 2115-91-5
dtxsid: DTXSID70896917
formula: C16H25NO2
inchikey: RYAHJFGVOCZDEI-HJRIULOKSA-N
norman_susdat_id: NS00075508
smiles: [H][C@@]12CC[C@@]3([H])[C@@]4([H])[C@H](C(C)C)[C@]([H])(OC4=O)[C@@]([H])(N(C)C1)[C@@]23C
inchi:
InChI=1S/C16H25NO2/c1-8(2)11-12-10-6-5-9-7-17(4)14(16(9,10)3)13(11)19-15(12)18/h8-14H,5-7H2,1-4H3/t9-,10+,11+,12+,13+,14-,16+/m1/s1


name: Phenol, 4-(1,1-dimethylethyl)-, hydrogen phosphate
cas: 21150-89-0
chemspiderid: 74604
dtxsid: DTXSID3066683
formula: C20H27O4P1
inchikey: NMZURFAPYNEBQQ-UHFFFAOYSA-N
norman_susdat_id: NS00009106
pubchem_cid: 82671
smiles: CC(C)(C)c1ccc(OP(O)(=O)Oc2ccc(cc2)C(C)(C)C)cc1
inchi:
InChI=1S/C20H27O4P/c1-19(2,3)15-7-11-17(12-8-15)23-25(21,22)24-18-13-9-16(10-14-18)20(4,5)6/h7-14H,1-6H3,(H,21,22)


name: Dalcetrapib
cas: 211513-37-0
chebiid: CHEBI:95001
dtxsid: DTXSID70943475
formula: C23H35NO2S
inchikey: YZQLWPMZQVHJED-UHFFFAOYSA-N
norman_susdat_id: NS00069699
pubchem_cid: 6918540
smiles: CCC(CC)CC1(C(=O)Nc2ccccc2SC(=O)C(C)C)CCCCC1
inchi:
InChI=1S/C23H35NO2S/c1-5-18(6-2)16-23(14-10-7-11-15-23)22(26)24-19-12-8-9-13-20(19)27-21(25)17(3)4/h8-9,12-13,17-18H,5-7,10-11,14-16H2,1-4H3,(H,24,26)


name: 3-Thiazolidineacetic acid, 5-[(3-ethyl-2-thiazolidinylidene)ethylidene]-4-oxo-2-thioxo-
cas: 21155-21-5
chemspiderid: 80721
dtxsid: DTXSID8066684
formula: C12H14N2O3S3
inchikey: QGVPJCPOTBNOCZ-UHFFFAOYSA-N
norman_susdat_id: NS00026798
pubchem_cid: 89442
smiles: CCN1CCS/C/1=CC=C1/SC(=S)N(CC(=O)O)C1=O
inchi:
InChI=1S/C12H14N2O3S3/c1-2-13-5-6-19-9(13)4-3-8-11(17)14(7-10(15)16)12(18)20-8/h3-4H,2,5-7H2,1H3,(H,15,16)/b8-3-,9-4-


name: Whi-p180
cas: 211555-08-7
formula: C16H15N3O3
inchikey: BNDYIYYKEIXHNK-UHFFFAOYSA-N
norman_susdat_id: NS00069348
pubchem_cid: 5687
smiles: COc1cc2ncnc(Nc3cccc(O)c3)c2cc1OC
inchi:
InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-4-3-5-11(20)6-10/h3-9,20H,1-2H3,(H,17,18,19)


name: 4-nitrophenyl N2,N6-bis[(phenylmethoxy)carbonyl]-L-lysinate
cas: 21160-82-7
dtxsid: DTXSID00943483
formula: C28H30N3O8
inchikey: DQKARZJTYUBTMX-VWLOTQADSA-N
norman_susdat_id: NS00050992
pubchem_cid: 13817488
smiles: O=C(OCC=1C=CC=CC1)NCCCCC(NC(=O)OCC=2C=CC=CC2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]
inchi:
InChI=1/C28H29N3O8/c32-26(39-24-16-14-23(15-17-24)31(35)36)25(30-28(34)38-20-22-11-5-2-6-12-22)13-7-8-18-29-27(33)37-19-21-9-3-1-4-10-21/h1-6,9-12,14-17,25H,7-8,13,18-20H2,(H,29,33)(H,30,34)


name: Methyl N-(4-(2-(5-chloro-2-methoxybenzamido)ethyl)benzenesulphonyl)carbamate
cas: 21165-77-5
chemspiderid: 80141
dtxsid: DTXSID60175405
formula: C18H19Cl1N2O6S1
inchikey: FHUMMCKSSXULQH-UHFFFAOYSA-N
norman_susdat_id: NS00026800
pubchem_cid: 88812
smiles: COC(=O)NS(=O)(=O)c1ccc(CCNC(=O)c2cc(Cl)ccc2OC)cc1
inchi:
InChI=1S/C18H19ClN2O6S/c1-26-16-8-5-13(19)11-15(16)17(22)20-10-9-12-3-6-14(7-4-12)28(24,25)21-18(23)27-2/h3-8,11H,9-10H2,1-2H3,(H,20,22)(H,21,23)


cas: 211697-45-9
dtxsid: DTXSID10882778
norman_susdat_id: NS00109265
name:
Butanoic acid, 2,2,3,3,4,4-hexafluoro-4-[(trifluoroethenyl) oxy]-, sodium salt, polymer with 1,1,1,2,2,3,3-heptafluoro-3-[(trifluoroethenyl)oxy]propane and tetrafluoroethene


name: Diphenyllead dichloride
cas: 2117-69-3
formula: C12H10Cl2Pb
inchikey: VCYWRKSVJFJVTB-UHFFFAOYSA-L
norman_susdat_id: NS00081610
smiles: Cl[Pb](Cl)(c1ccccc1)c2ccccc2
inchi:
InChI=1/2C6H5.2ClH.Pb/c2*1-2-4-6-5-3-1;;;/h2*1-5H;2*1H;/q;;;;+2/p-2/rC12H10Cl2Pb/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H


name: 4-((2,4,4-Trimethyl-1-cyclohexenyl)methoxy)furo(3,2-g)chromen-7-one
cas: 21174-75-4
chebiid: CHEBI:174542
chemspiderid: 154271
dtxsid: DTXSID50175414
formula: C21H22O4
inchikey: NETRCGJRLNZPCW-UHFFFAOYSA-N
norman_susdat_id: NS00094716
pubchem_cid: 177156
smiles: CC1=C(COC2=C3C=CC(=O)OC3=CC3=C2C=CO3)CCC(C)(C)C1
inchi:
InChI=1S/C21H22O4/c1-13-11-21(2,3)8-6-14(13)12-24-20-15-4-5-19(22)25-18(15)10-17-16(20)7-9-23-17/h4-5,7,9-10H,6,8,11-12H2,1-3H3


name: Chromium trioleate
cas: 21178-63-2
formula: C18H34O2.1/3Cr
inchikey: WMSMJGZVVXAVQO-GNOQXXQHSA-K
norman_susdat_id: NS00084212
smiles: [Cr+2].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-].CCCCCCCC\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/3C18H34O2.Cr/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;;;+2/p-3


cas: 2118-39-0
chemspiderid: 7850549
dtxsid: DTXSID40879792
formula: C26H19N5O12S4
inchikey: MMLMMNQWHNAZCR-WCJVWQEMSA-N
norman_susdat_id: NS00013494
pubchem_cid: NA
name:
Tetrasodium 6-amino-4-hydroxy-3-((7-sulphonato-4-((4-sulphonatophenyl)azo)-1-naphthyl)azo)naphthalene-2,7-disulphonate

inchi:
InChI=1S/C26H19N5O12S4.4Na/c27-20-12-18-13(9-23(20)46(38,39)40)10-24(47(41,42)43)25(26(18)32)31-30-22-8-7-21(17-6-3-15(44(33)34)11-19(17)22)29-28-14-1-4-16(5-2-14)45(35,36)37;;;;/h1-12,30H,27H2,(H,33,34)(H,35,36,37)(H,38,39,40)(H,41,42,43);;;;/q;4*+1/p-4/b29-28?,31-25-;;;;

smiles:
[Na+].[Na+].[Na+].[Na+].Nc1cc2C(=O)C(=N/Nc3ccc(N=Nc4ccc(cc4)[S]([O-])(=O)=O)c5ccc(cc35)[S]([O-])=O)C(=Cc2cc1[S]([O-])(=O)=O)[S]([O-])(=O)=O


name: 2-Hexadecyl-5-methylhydroquinone
cas: 21182-65-0
chemspiderid: 80142
dtxsid: DTXSID10175415
formula: C23H40O2
inchikey: HINXRUYNUJLKSX-UHFFFAOYSA-N
norman_susdat_id: NS00026806
pubchem_cid: 88813
smiles: CCCCCCCCCCCCCCCCc1cc(O)c(C)cc1O
inchi:
InChI=1S/C23H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-19-22(24)20(2)18-23(21)25/h18-19,24-25H,3-17H2,1-2H3


name: Gliclazide
cas: 21187-98-4
chebiid: CHEBI:31654
chemspiderid: 3356
dtxsid: DTXSID9023095
formula: C15H21N3O3S1
inchikey: BOVGTQGAOIONJV-UHFFFAOYSA-N
norman_susdat_id: NS00002064
pubchem_cid: 3475
smiles: Cc1ccc(cc1)S(=O)(=O)NC(=O)NN1CC2CCCC2C1
inchi:
InChI=1S/C15H21N3O3S/c1-11-5-7-14(8-6-11)22(20,21)17-15(19)16-18-9-12-3-2-4-13(12)10-18/h5-8,12-13H,2-4,9-10H2,1H3,(H2,16,17,19)


name: 9-fluoro-11ß,17a-dihydroxy-17-(S)-lactoylandrosta-1,4-dien-3-one 17ß-acetate
cas: 2119-75-7
dtxsid: DTXSID50895064
formula: C24H31FO6
inchikey: XRJCKPFSAIBXCM-QZIXMDIESA-N
norman_susdat_id: NS00045653
pubchem_cid: NA
smiles: O=C1C=CC2(C(=C1)CCC3C4CCC(O)(C(=O)C(O)C)C4(C)CC(OC(=O)C)C32F)C
inchi:
InChI=1/C24H31FO6/c1-13(26)20(29)23(30)10-8-17-18-6-5-15-11-16(28)7-9-21(15,3)24(18,25)19(31-14(2)27)12-22(17,23)4/h7,9,11,13,17-19,26,30H,5-6,8,10,12H2,1-4H3


name: Dabigatran
cas: 211914-51-1
chebiid: CHEBI:70752
dtxsid: DTXSID50175419
formula: C25H25N7O3
inchikey: YBSJFWOBGCMAKL-UHFFFAOYSA-N
norman_susdat_id: NS00076319
smiles: CN1C(CNC2=CC=C(C=C2)C(N)=N)=NC2=C1C=CC(=C2)C(=O)N(CCC(O)=O)C1=CC=CC=N1
inchi:
InChI=1S/C25H25N7O3/c1-31-20-10-7-17(25(35)32(13-11-23(33)34)21-4-2-3-12-28-21)14-19(20)30-22(31)15-29-18-8-5-16(6-9-18)24(26)27/h2-10,12,14,29H,11,13,15H2,1H3,(H3,26,27)(H,33,34)


name: Dabigatran etexilate
cas: 211915-06-9
chebiid: CHEBI:70746
chemspiderid: 4948999
dtxsid: DTXSID4057681
formula: C34H41N7O5
inchikey: KSGXQBZTULBEEQ-UHFFFAOYSA-N
norman_susdat_id: NS00007001
pubchem_cid: 9578572
smiles: CCCCCCOC(=O)N=C(N)c1ccc(NCc2nc3cc(ccc3n2C)C(=O)N(CCC(=O)OCC)c2ccccn2)cc1
inchi:
InChI=1S/C34H41N7O5/c1-4-6-7-10-21-46-34(44)39-32(35)24-12-15-26(16-13-24)37-23-30-38-27-22-25(14-17-28(27)40(30)3)33(43)41(20-18-31(42)45-5-2)29-11-8-9-19-36-29/h8-9,11-17,19,22,37H,4-7,10,18,20-21,23H2,1-3H3,(H2,35,39,44)


name: Diethyl 4-(4,5-dimethoxy-2-nitrophenyl)-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
cas: 21203-88-3
chemspiderid: 80147
dtxsid: DTXSID40175428
formula: C21H26N2O8
inchikey: DEVHMZKJIJMPBI-UHFFFAOYSA-N
norman_susdat_id: NS00026807
pubchem_cid: 88819
smiles: CCOC(=O)C1=C(C)NC(=C(C1c1c(cc(OC)c(OC)c1)[N+](=O)[O-])C(=O)OCC)C
inchi:
InChI=1S/C21H26N2O8/c1-7-30-20(24)17-11(3)22-12(4)18(21(25)31-8-2)19(17)13-9-15(28-5)16(29-6)10-14(13)23(26)27/h9-10,19,22H,7-8H2,1-6H3


name: 1,3-Benzenedicarboxamide, N,N'-bis(2,2,6,6-tetramethyl-4-piperidinyl)-
cas: 212059-00-2
chemspiderid: 4954368
dtxsid: DTXSID3068417
formula: C26H42N4O2
inchikey: OYNOCRWQLLIRON-UHFFFAOYSA-N
norman_susdat_id: NS00006860
pubchem_cid: 6451919
smiles: CC1(C)CC(CC(C)(C)N1)NC(=O)c1cccc(c1)C(=O)NC1CC(C)(C)NC(C)(C)C1
inchi:
InChI=1S/C26H42N4O2/c1-23(2)13-19(14-24(3,4)29-23)27-21(31)17-10-9-11-18(12-17)22(32)28-20-15-25(5,6)30-26(7,8)16-20/h9-12,19-20,29-30H,13-16H2,1-8H3,(H,27,31)(H,28,32)


name: 9-Octadecenoic acid (9Z)-, oxydi-2,1-ethanediyl ester
cas: 21209-30-3
chemspiderid: 21172794
dtxsid: DTXSID8066686
formula: C40H74O5
inchikey: HJRDNARELSKHEF-UHFFFAOYSA-N
norman_susdat_id: NS00026808
pubchem_cid: 88822
smiles: CCCCCCCC/C=CCCCCCCCC(=O)OCCOCCOC(=O)CCCCCCC/C=CCCCCCCCC
inchi:
InChI=1S/C40H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-39(41)44-37-35-43-36-38-45-40(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-38H2,1-2H3/b19-17-,20-18-


name: Ungeremine
cas: 2121-12-2
chemspiderid: 140368
dtxsid: DTXSID50175439
formula: C16H12NO3
inchikey: DFQOXFIPAAMFAU-UHFFFAOYSA-O
norman_susdat_id: NS00094717
pubchem_cid: 159646
smiles: OC1=CC2=C3C(=C1)C1=CC4=C(OCO4)C=C1C=[N+]3CC2
inchi:
InChI=1S/C16H11NO3/c18-11-3-9-1-2-17-7-10-4-14-15(20-8-19-14)6-12(10)13(5-11)16(9)17/h3-7H,1-2,8H2/p+1


name: 5-((5-(3,3-dimethyloxiranyl)-3-methylallyl)oxy)benzo-1,3-dioxole
cas: 21213-68-3
formula: C17H22O4
inchikey: LTERBDAWQYNNFX-UHFFFAOYSA-N
norman_susdat_id: NS00051827
pubchem_cid: 30523
smiles: O(C1=CC=C2OCOC2=C1)CC=C(C)CCC3OC3(C)C
inchi:
InChI=1/C17H22O4/c1-12(4-7-16-17(2,3)21-16)8-9-18-13-5-6-14-15(10-13)20-11-19-14/h5-6,8,10,16H,4,7,9,11H2,1-3H3


name: 1,4-Benzenediol, 2-(1,1-dimethylethyl)-, 4,4',4''-phosphate
cas: 21214-39-1
chemspiderid: 80151
dtxsid: DTXSID8066688
formula: C30H39O7P1
inchikey: KNZZERRHIZAXIQ-UHFFFAOYSA-N
norman_susdat_id: NS00026811
pubchem_cid: 88826
smiles: CC(C)(C)c1c(O)ccc(OP(=O)(Oc2cc(c(O)cc2)C(C)(C)C)Oc2cc(c(O)cc2)C(C)(C)C)c1
inchi:
InChI=1S/C30H39O7P/c1-28(2,3)22-16-19(10-13-25(22)31)35-38(34,36-20-11-14-26(32)23(17-20)29(4,5)6)37-21-12-15-27(33)24(18-21)30(7,8)9/h10-18,31-33H,1-9H3


name: Vatalanib
cas: 212141-51-0
chebiid: CHEBI:90620
dtxsid: DTXSID2046919
formula: C20H15ClN4
inchikey: YCOYDOIWSSHVCK-UHFFFAOYSA-N
norman_susdat_id: NS00068132
pubchem_cid: 151194
smiles: Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1
inchi:
InChI=1S/C20H15ClN4/c21-15-5-7-16(8-6-15)23-20-18-4-2-1-3-17(18)19(24-25-20)13-14-9-11-22-12-10-14/h1-12H,13H2,(H,23,25)


name: Tofacitinib
cas: 212143-23-2
chebiid: CHEBI:71200
dtxsid: DTXSID90197271
formula: C16H20N6O
inchikey: UJLAWZDWDVHWOW-YPMHNXCESA-N
norman_susdat_id: NS00069315
pubchem_cid: 9926791
smiles: C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12
inchi:
InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1


name: Tetrahydroxydi-µ-oxo(L-tyrosinato-O)trialuminium
cas: 21216-49-9
formula: C9H14Al3NO9
inchikey: YEDCYXVWWGKLOJ-UHFFFAOYSA-I
norman_susdat_id: NS00084243
smiles: NC(Cc1ccc(O)cc1)C(=O)O[Al](O[Al](O)O)O[Al](O)O
inchi:
InChI=1/C9H11NO3.3Al.4H2O.2O/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;;;;;;;;;/h1-4,8,11H,5,10H2,(H,12,13);;;;4*1H2;;/q;+1;2*+2;;;;;;/p-5/rC9H14Al3NO9/c13-8(5-6-1-3-7(14)4-2-6)9(15)20-12(21-10(16)17)22-11(18)19/h1-4,8,14,16-19H,5,13H2


name: N-Hexadecylacrylamide
cas: 21216-80-8
chemspiderid: 80152
dtxsid: DTXSID20175446
formula: C19H37N1O1
inchikey: BKWMQCLROIZNLX-UHFFFAOYSA-N
norman_susdat_id: NS00026812
pubchem_cid: 88828
smiles: CCCCCCCCCCCCCCCCNC(=O)C=C
inchi:
InChI=1S/C19H37NO/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-19(21)4-2/h4H,2-3,5-18H2,1H3,(H,20,21)


name: 9-Octadecenoic acid (9Z)-, 1,6-hexanediyl ester
cas: 21224-03-3
chemspiderid: 4941156
dtxsid: DTXSID2066690
formula: C42H78O4
inchikey: ZNRNSKNVPBUUNI-UHFFFAOYSA-N
norman_susdat_id: NS00019883
pubchem_cid: 88831
smiles: CCCCCCCC/C=CCCCCCCCC(=O)OCCCCCCOC(=O)CCCCCCC/C=CCCCCCCCC
inchi:
InChI=1S/C42H78O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33-37-41(43)45-39-35-31-32-36-40-46-42(44)38-34-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-40H2,1-2H3/b19-17-,20-18-


name: Heptatriacontan-19-one
cas: 2123-20-8
dtxsid: DTXSID90175473
formula: C37H74O
inchikey: KCNOEZOXGYXXQU-UHFFFAOYSA-N
norman_susdat_id: NS00044921
pubchem_cid: 75035
smiles: O=C(CCCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C37H74O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37(38)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-36H2,1-2H3


name: Ethyl N-[3-amino-4-(methylamino)benzoyl]-N-pyridin-2-yl-beta-alaninate
cas: 212322-56-0
chemspiderid: 10155531
dtxsid: DTXSID70475140
formula: C18H22N4O3
inchikey: PCPATNZTKBOKOY-UHFFFAOYSA-N
norman_susdat_id: NS00001942
pubchem_cid: 11982993
smiles: CCOC(=O)CCN(C(=O)c1ccc(NC)c(N)c1)c1ccccn1
inchi:
InChI=1S/C18H22N4O3/c1-3-25-17(23)9-11-22(16-6-4-5-10-21-16)18(24)13-7-8-15(20-2)14(19)12-13/h4-8,10,12,20H,3,9,11,19H2,1-2H3


cas: 212335-64-3
dtxsid: DTXSID10882995
norman_susdat_id: NS00109287
name:
2-Propenoic acid, reaction products with N-[3-(dimethylamino)propyl]-1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonamide


name: CarbomycinÂ B
cas: 21238-30-2
chemspiderid: 5022824
formula: C42H67N1O15
inchikey: ZRNXEMIDBIPJDC-HLPDZUSBSA-N
norman_susdat_id: NS00011688
pubchem_cid: 6540453
inchi:
InChI=1S/C42H67NO15/c1-23(2)19-32(47)56-40-27(6)53-34(22-42(40,8)50)57-37-26(5)54-41(36(49)35(37)43(9)10)58-38-29(17-18-44)20-24(3)30(46)16-14-12-13-15-25(4)52-33(48)21-31(39(38)51-11)55-28(7)45/h12-14,16,18,23-27,29,31,34-41,49-50H,15,17,19-22H2,1-11H3/b13-12+,16-14+/t24-,25-,26-,27+,29+,31-,34+,35-,36-,37-,38+,39+,40+,41+,42-/m1/s1

smiles:
C[C@@H]1C/C=C/C=C/C(=O)[C@@H](C[C@@H]([C@@H]([C@H]([C@@H](CC(=O)O1)OC(=O)C)OC)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C)O[C@H]3C[C@@]([C@H]([C@@H](O3)C)OC(=O)CC(C)C)(C)O)N(C)C)O)CC=O)C


name: (3ß)-9,19-cyclolanost-24-en-3-yl 4-hydroxy-3-methoxycinnamate
cas: 21238-33-5
formula: C40H58O4
inchikey: FODTZLFLDFKIQH-URAFZKBNSA-N
norman_susdat_id: NS00085129
inchi:
InChI=1/C40H58O4/c1-26(2)10-9-11-27(3)29-18-20-38(7)33-16-15-32-36(4,5)34(19-21-39(32)25-40(33,39)23-22-37(29,38)6)44-35(42)17-13-28-12-14-30(41)31(24-28)43-8/h10,12-14,17,24,27,29,32-34,41H,9,11,15-16,18-23,25H2,1-8H3

smiles:
COc1cc(\C=C\C(=O)O[C@H]2CC[C@]34C[C@@]35CC[C@]6(C)[C@H](CC[C@@]6(C)[C@@H]5CC[C@H]4C2(C)C)[C@H](C)CCC=C(C)C)ccc1O


name: Ls-187560
cas: 2124-57-4
chebiid: CHEBI:44245
formula: C46H64O2
inchikey: RAKQPZMEYJZGPI-LJWNYQGCSA-N
norman_susdat_id: NS00072810
pubchem_cid: 5287554
smiles: CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC1=C(C)C(=O)c2ccccc2C1=O
inchi:
InChI=1S/C46H64O2/c1-34(2)18-12-19-35(3)20-13-21-36(4)22-14-23-37(5)24-15-25-38(6)26-16-27-39(7)28-17-29-40(8)32-33-42-41(9)45(47)43-30-10-11-31-44(43)46(42)48/h10-11,18,20,22,24,26,28,30-32H,12-17,19,21,23,25,27,29,33H2,1-9H3/b35-20+,36-22+,37-24+,38-26+,39-28+,40-32+


name: Methylenebis(dioctylphosphine) oxide
cas: 21245-08-9
dtxsid: DTXSID40943664
formula: C33H70OP2
inchikey: LUZWNCFGBPVDHU-UHFFFAOYSA-N
norman_susdat_id: NS00051043
pubchem_cid: 21116434
smiles: O=P(CP(CCCCCCCC)CCCCCCCC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/C33H70OP2/c1-5-9-13-17-21-25-29-35(30-26-22-18-14-10-6-2)33-36(34,31-27-23-19-15-11-7-3)32-28-24-20-16-12-8-4/h5-33H2,1-4H3


name: 4,4',4''-(1,3,5-Triazinane-2,4,6-triylidene)tris(3-hydroxycyclohexa-2,5-dien-1-one)
cas: 2125-23-7
chemspiderid: 57462934
dtxsid: DTXSID60570931
formula: C21H15N3O6
inchikey: HPZAKJALQXZKDF-UHFFFAOYSA-N
norman_susdat_id: NS00006235
pubchem_cid: 15279032
smiles: OC1=CC(=O)C=CC1=C1NC(NC(N1)=C1C=CC(=O)C=C1O)=C1C=CC(=O)C=C1O
inchi:
InChI=1S/C21H15N3O6/c25-10-1-4-13(16(28)7-10)19-22-20(14-5-2-11(26)8-17(14)29)24-21(23-19)15-6-3-12(27)9-18(15)30/h1-9,22-24,28-30H


name: 2,4-NH2PYRIMIDINE,5(35MEO-4-OH)BENZYL
cas: 21253-58-7
chemspiderid: 8598998
dtxsid: DTXSID90877223
formula: C13H16N4O3
inchikey: HPOCGNHBIFZCAN-UHFFFAOYSA-N
norman_susdat_id: NS00007972
pubchem_cid: 10423570
smiles: COc1cc(Cc2cnc(N)nc2N)cc(OC)c1O
inchi:
InChI=1S/C13H16N4O3/c1-19-9-4-7(5-10(20-2)11(9)18)3-8-6-16-13(15)17-12(8)14/h4-6,18H,3H2,1-2H3,(H4,14,15,16,17)


name: Oxaprozin
cas: 21256-18-8
chebiid: CHEBI:7822
chemspiderid: 4453
dtxsid: DTXSID1045118
formula: C18H15N1O3
inchikey: OFPXSFXSNFPTHF-UHFFFAOYSA-N
norman_susdat_id: NS00008254
pubchem_cid: 4614
smiles: OC(=O)CCc1nc(c(o1)-c1ccccc1)-c1ccccc1
inchi:
InChI=1S/C18H15NO3/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14/h1-10H,11-12H2,(H,20,21)


cas: 212580-83-1
norman_susdat_id: NS00113551
name:
Phenol, 4,4-(1-methylethylidene)bis-, polymer with 5-amino-1,3,3-trimethylcyclohexanemethanamine, 1,3-benzenedimethanamine and 2-(chloromethyl)oxirane


name: Mercaptomerin sodium
cas: 21259-76-7
formula: C16H25HgNO6S.2Na
inchikey: RQXWFEXQGWCOGQ-UHFFFAOYSA-K
norman_susdat_id: NS00083973
smiles: [Na+].[Na+].COC(CNC(=O)C1CCC(C)(C(=O)[O-])C1(C)C)C[Hg]SCC(=O)[O-]
inchi:
InChI=1/C14H24NO4.C2H4O2S.Hg.2Na/c1-9(19-5)8-15-11(16)10-6-7-14(4,12(17)18)13(10,2)3;3-2(4)1-5;;;/h9-10H,1,6-8H2,2-5H3,(H,15,16)(H,17,18);5H,1H2,(H,3,4);;;/q;;3*+1/p-3/rC16H27HgNO6S.2Na/c1-15(2)11(5-6-16(15,3)14(22)23)13(21)18-8-10(24-4)7-17-25-9-12(19)20;;/h10-11H,5-9H2,1-4H3,(H,18,21)(H,19,20)(H,22,23);;/q;2*+1/p-2


name: LSD-Iso
cas: 2126-78-5
chemspiderid: 553804
dtxsid: DTXSID30858950
formula: C20H25N3O
inchikey: VAYOSLLFUXYJDT-KBXCAEBGSA-N
norman_susdat_id: NS00100953
pubchem_cid: 638252
smiles: CCN(CC)C(=O)[C@@H]1CN([C@@H]2Cc3c[nH]c4c3c(ccc4)C2=C1)C
inchi:
InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18+/m0/s1


name: Bismuth tris(dimethyldithiocarbamate)
cas: 21260-46-8
formula: C9H18BiN3S6
inchikey: USBHFGNOYVOTON-UHFFFAOYSA-K
norman_susdat_id: NS00084257
smiles: CN(C)C(=S)S[Bi](SC(=S)N(C)C)SC(=S)N(C)C
inchi:
InChI=1/3C3H7NS2.Bi/c3*1-4(2)3(5)6;/h3*1-2H3,(H,5,6);/q;;;+3/p-3/rC9H18BiN3S6/c1-11(2)7(14)17-10(18-8(15)12(3)4)19-9(16)13(5)6/h1-6H3


name: C.I. 1040
cas: 212631-79-3
chebiid: CHEBI:91353
dtxsid: DTXSID8048945
formula: C17H14ClF2IN2O2
inchikey: GFMMXOIFOQCCGU-UHFFFAOYSA-N
norman_susdat_id: NS00068490
pubchem_cid: 6918454
smiles: O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl
inchi:
InChI=1S/C17H14ClF2IN2O2/c18-12-7-10(21)3-6-14(12)22-16-11(4-5-13(19)15(16)20)17(24)23-25-8-9-1-2-9/h3-7,9,22H,1-2,8H2,(H,23,24)


name: Ammonium [[N,N'-ethylenebis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']ferrate(1-)
cas: 21265-50-9
formula: C10H12FeN2O8.H4N
inchikey: XNSQZBOCSSMHSZ-UHFFFAOYSA-K
norman_susdat_id: NS00084767
smiles: [NH4+].[Fe+3].[O-]C(=O)CN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-]
inchi:
InChI=1/C10H16N2O8.Fe.H3N/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);;1H3/q;+3;/p-3


cas: 212652-59-0
inchikey: LOMMGWZFGAGSBP-UHFFFAOYSA-L
norman_susdat_id: NS00078564
name:
trisodium 3-amino-4-[4-[4-(2-(2-ethenylsulfonylethoxy)ethylamino)-6-fluoro-1,3,5-triazine-2-ylamino]-2-sulfophenylazo]-5-hydroxynaphthalene-2,7-disulfonate

smiles:
NC=1C(=CC2=CC(=CC(=C2C1N=NC1=C(C=C(C=C1)NC1=NC(=NC(=N1)NCCOCCS(=O)(=O)C=C)F)S(=O)(=O)O)O)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]


name: 11ß,21-dihydroxy-2'-methyl-16ß-5'H-pregn-4-eno[17,16-d]oxazole-3,20-dione
cas: 21269-11-4
dtxsid: DTXSID20943728
formula: C23H31NO5
inchikey: FFCGTEHFZJEQAV-UHFFFAOYSA-N
norman_susdat_id: NS00050083
pubchem_cid: 89473
smiles: O=C1C=C2CCC3C4CC5OC(=NC5(C(=O)CO)C4(C)CC(O)C3C2(C)CC1)C
inchi:
InChI=1/C23H31NO5/c1-12-24-23(18(28)11-25)19(29-12)9-16-15-5-4-13-8-14(26)6-7-21(13,2)20(15)17(27)10-22(16,23)3/h8,15-17,19-20,25,27H,4-7,9-11H2,1-3H3


name: 21-hydroxy-2'-methyl-16ß-5'H-pregn-4-eno[17,16-d]oxazole-3,20-dione 21-acetate
cas: 21269-13-6
dtxsid: DTXSID80943729
formula: C25H33NO5
inchikey: VVMRUTPNARVFIR-UHFFFAOYSA-N
norman_susdat_id: NS00050084
pubchem_cid: 89474
smiles: O=C(OCC(=O)C12N=C(OC2CC3C4CCC5=CC(=O)CCC5(C)C4CCC31C)C)C
inchi:
InChI=1/C25H33NO5/c1-14-26-25(21(29)13-30-15(2)27)22(31-14)12-20-18-6-5-16-11-17(28)7-9-23(16,3)19(18)8-10-24(20,25)4/h11,18-20,22H,5-10,12-13H2,1-4H3


name: Clorexolone
cas: 2127-01-7
chebiid: CHEBI:31421
dtxsid: DTXSID4057683
formula: C14H17ClN2O3S
inchikey: VPMWFZKOWULPGT-UHFFFAOYSA-N
norman_susdat_id: NS00045665
pubchem_cid: 16473
smiles: O=C1C2=CC(=C(Cl)C=C2CN1C3CCCCC3)S(=O)(=O)N
inchi:
InChI=1/C14H17ClN2O3S/c15-12-6-9-8-17(10-4-2-1-3-5-10)14(18)11(9)7-13(12)21(16,19)20/h6-7,10H,1-5,8H2,(H2,16,19,20)


name: 2-({6-[(3-chlorophenyl)amino]-9-(propan-2-yl)-9h-purin-2-yl}amino)ethan-1-ol
cas: 212779-48-1
dtxsid: DTXSID80274388
formula: C16H19ClN6O
inchikey: XZEFMZCNXDQXOZ-UHFFFAOYSA-N
norman_susdat_id: NS00069008
pubchem_cid: 2856
smiles: CC(C)n1cnc2c(Nc3cccc(Cl)c3)nc(NCCO)nc21
inchi:
InChI=1S/C16H19ClN6O/c1-10(2)23-9-19-13-14(20-12-5-3-4-11(17)8-12)21-16(18-6-7-24)22-15(13)23/h3-5,8-10,24H,6-7H2,1-2H3,(H2,18,20,21,22)


name: Purvalanol A
cas: 212844-53-6
chebiid: CHEBI:47600
dtxsid: DTXSID30175553
formula: C19H25ClN6O
inchikey: PMXCMJLOPOFPBT-HNNXBMFYSA-N
norman_susdat_id: NS00068317
pubchem_cid: 456214
smiles: CC(C)[C@H](CO)Nc1nc(Nc2cccc(Cl)c2)c2ncn(C(C)C)c2n1
inchi:
InChI=1S/C19H25ClN6O/c1-11(2)15(9-27)23-19-24-17(22-14-7-5-6-13(20)8-14)16-18(25-19)26(10-21-16)12(3)4/h5-8,10-12,15,27H,9H2,1-4H3,(H2,22,23,24,25)/t15-/m0/s1


name: SID: 174007100
cas: 212844-54-7
chebiid: CHEBI:49840
formula: C20H25ClN6O3
inchikey: ZKDXRFMOHZVXSG-HNNXBMFYSA-N
norman_susdat_id: NS00068318
pubchem_cid: 448991
smiles: CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(=O)O)c(Cl)c2)c2ncn(C(C)C)c2n1
inchi:
InChI=1S/C20H25ClN6O3/c1-10(2)15(8-28)24-20-25-17(16-18(26-20)27(9-22-16)11(3)4)23-12-5-6-13(19(29)30)14(21)7-12/h5-7,9-11,15,28H,8H2,1-4H3,(H,29,30)(H2,23,24,25,26)/t15-/m0/s1


name: N-[1-[(benzyloxy)carbonyl]-L-prolyl]-L-valine
cas: 21285-27-8
dtxsid: DTXSID50943791
formula: C18H24N2O5
inchikey: RMPUPQMKXGKXSG-GJZGRUSLSA-N
norman_susdat_id: NS00049699
pubchem_cid: 73512
smiles: O=C(OCC=1C=CC=CC1)N2CCCC2C(=O)NC(C(=O)O)C(C)C
inchi:
InChI=1/C18H24N2O5/c1-12(2)15(17(22)23)19-16(21)14-9-6-10-20(14)18(24)25-11-13-7-4-3-5-8-13/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3,(H,19,21)(H,22,23)


name: Stearic acid, compound with 2-aminoethanol (1:1)
cas: 2129-99-9
formula: C18H36O2.C2H7NO
inchikey: XOSCOJBBKOVIOM-UHFFFAOYSA-N
norman_susdat_id: NS00081880
smiles: CCCCCCCCCCCCCCCCCC(=O)O.NCCO
inchi:
InChI=1/C18H36O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;3-1-2-4/h2-17H2,1H3,(H,19,20);4H,1-3H2


name: 6-(Cyclohexylamino)-3-methyl-3H-dibenz(f,ij)isoquinoline-2,7-dione
cas: 21295-57-8
chemspiderid: 80178
dtxsid: DTXSID00175560
formula: C23H22N2O2
inchikey: JZGUXCXDBKBCDN-UHFFFAOYSA-N
norman_susdat_id: NS00026829
pubchem_cid: 88858
smiles: Cn1c(=O)cc2c3c(cccc3)c(=O)c3c2c1ccc3NC1CCCCC1
inchi:
InChI=1S/C23H22N2O2/c1-25-19-12-11-18(24-14-7-3-2-4-8-14)22-21(19)17(13-20(25)26)15-9-5-6-10-16(15)23(22)27/h5-6,9-14,24H,2-4,7-8H2,1H3


name: [1,1'-Biphenyl]-3,3'-dicarboxylic acid, 4,4'-diamino-
cas: 2130-56-5
chemspiderid: 15617
dtxsid: DTXSID4062195
formula: C14H12N2O4
inchikey: IIQLVLWFQUUZII-UHFFFAOYSA-N
norman_susdat_id: NS00026833
pubchem_cid: 16475
smiles: Nc1c(cc(cc1)c1cc(C(=O)O)c(N)cc1)C(=O)O
inchi:
InChI=1S/C14H12N2O4/c15-11-3-1-7(5-9(11)13(17)18)8-2-4-12(16)10(6-8)14(19)20/h1-6H,15-16H2,(H,17,18)(H,19,20)


name: O-benzyl-N-[(tert-butoxy)carbonyl]-L-tyrosine
cas: 2130-96-3
dtxsid: DTXSID20175567
formula: C21H25NO5
inchikey: ZAVSPTOJKOFMTA-SFHVURJKSA-N
norman_susdat_id: NS00045667
pubchem_cid: 98763
smiles: O=C(OC(C)(C)C)NC(C(=O)O)CC1=CC=C(OCC=2C=CC=CC2)C=C1
inchi:
InChI=1/C21H25NO5/c1-21(2,3)27-20(25)22-18(19(23)24)13-15-9-11-17(12-10-15)26-14-16-7-5-4-6-8-16/h4-12,18H,13-14H2,1-3H3,(H,22,25)(H,23,24)


name: p-nitrophenyl N-[(benzyloxy)carbonyl]-L-isoleucinate
cas: 2130-99-6
dtxsid: DTXSID80943805
formula: C20H23N2O6
inchikey: NJDZCCJYUBNBMK-IBYPIGCZSA-N
norman_susdat_id: NS00044922
pubchem_cid: 13003391
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C(C)CC
inchi:
InChI=1/C20H22N2O6/c1-3-14(2)18(21-20(24)27-13-15-7-5-4-6-8-15)19(23)28-17-11-9-16(10-12-17)22(25)26/h4-12,14,18H,3,13H2,1-2H3,(H,21,24)


name: Didodecyl phosphonate
cas: 21302-09-0
dtxsid: DTXSID6051859
formula: C24H51O3P
inchikey: KQWYQZYVKPPMBX-UHFFFAOYSA-N
norman_susdat_id: NS00049689
pubchem_cid: 88863
smiles: O=P(OCCCCCCCCCCCC)OCCCCCCCCCCCC
inchi:
InChI=1/C24H51O3P/c1-3-5-7-9-11-13-15-17-19-21-23-26-28(25)27-24-22-20-18-16-14-12-10-8-6-4-2/h28H,3-24H2,1-2H3


name: Bis(2-ethylhexyl) glutarate
cas: 21302-20-5
dtxsid: DTXSID20864984
formula: C21H40O4
inchikey: ABXLQQAKBRIHIT-UHFFFAOYSA-N
norman_susdat_id: NS00049700
pubchem_cid: 89482
smiles: O=C(OCC(CC)CCCC)CCCC(=O)OCC(CC)CCCC
inchi:
InChI=1/C21H40O4/c1-5-9-12-18(7-3)16-24-20(22)14-11-15-21(23)25-17-19(8-4)13-10-6-2/h18-19H,5-17H2,1-4H3


name: Vinyl docosanoate
cas: 21306-13-8
chemspiderid: 80185
dtxsid: DTXSID80175568
formula: C24H46O2
inchikey: RLPIKSHMNSAWRK-UHFFFAOYSA-N
norman_susdat_id: NS00026834
pubchem_cid: 88866
smiles: CCCCCCCCCCCCCCCCCCCCCC(=O)OC=C
inchi:
InChI=1S/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h4H,2-3,5-23H2,1H3


name: Pentadecylbenzene
cas: 2131-18-2
chemspiderid: 15618
dtxsid: DTXSID5051860
formula: C21H36
inchikey: JIRNEODMTPGRGV-UHFFFAOYSA-N
norman_susdat_id: NS00026835
pubchem_cid: 16476
smiles: CCCCCCCCCCCCCCCc1ccccc1
inchi:
InChI=1S/C21H36/c1-2-3-4-5-6-7-8-9-10-11-12-13-15-18-21-19-16-14-17-20-21/h14,16-17,19-20H,2-13,15,18H2,1H3


name: Nonanedioic acid, didecyl ester
cas: 2131-27-3
chemspiderid: 67595
dtxsid: DTXSID9062196
formula: C29H56O4
inchikey: WMDDQWGAOSOSAB-UHFFFAOYSA-N
norman_susdat_id: NS00026836
pubchem_cid: 75042
smiles: CCCCCCCCCCOC(=O)CCCCCCCC(=O)OCCCCCCCCCC
inchi:
InChI=1S/C29H56O4/c1-3-5-7-9-11-13-18-22-26-32-28(30)24-20-16-15-17-21-25-29(31)33-27-23-19-14-12-10-8-6-4-2/h3-27H2,1-2H3


name: N-Acetyl sulfamethoxazole
cas: 21312-10-7
chebiid: CHEBI:31169
chemspiderid: 58771
dtxsid: DTXSID8049044
formula: C12H13N3O4S1
inchikey: GXPIUNZCALHVBA-UHFFFAOYSA-N
norman_susdat_id: NS00000269
pubchem_cid: 65280
smiles: c1(ccc(cc1)NC(C)=O)S(Nc1cc(C)on1)(=O)=O
inchi:
InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)


name: M8
cas: 213135-56-9
chemspiderid: NA
formula: C25H34N2O4
inchikey: XXGJFJLJYXJACN-UHFFFAOYSA-N
norman_susdat_id: NS00006386
pubchem_cid: 102355766
smiles: COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(O)c(OC)c2)cc1O
inchi:
InChI=1S/C25H34N2O4/c1-18(2)25(17-26,20-8-9-21(28)24(16-20)31-5)12-6-13-27(3)14-11-19-7-10-23(30-4)22(29)15-19/h7-10,15-16,18,28-29H,6,11-14H2,1-5H3


name: 7-Hydroxy-3-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-en-1-yl)-2H-1-benzopyran-2-one
cas: 21316-80-3
chebiid: CHEBI:174840
chemspiderid: 21615441
dtxsid: DTXSID90556369
formula: C19H22O3
inchikey: HEPYYVMIJBDNIM-UHFFFAOYSA-N
norman_susdat_id: NS00094854
pubchem_cid: 14133589
smiles: CC(C)=CCC1=C(O)C=C2OC(=O)C(=CC2=C1)C(C)(C)C=C
inchi:
InChI=1S/C19H22O3/c1-6-19(4,5)15-10-14-9-13(8-7-12(2)3)16(20)11-17(14)22-18(15)21/h6-7,9-11,20H,1,8H2,2-5H3


name: N,N-Dimethyl perfluorooctane sulfonamide
cas: 213181-78-3
chemspiderid: 1278
formula: C10H6F17N1O2S1
inchikey: YVCGTNUSJFOHIW-UHFFFAOYSA-N
norman_susdat_id: NS00011113
pubchem_cid: 21418853
smiles: CN(S(=O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)=O)C
inchi:
InChI=1S/C10H6F17NO2S/c1-28(2)31(29,30)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h1-2H3


name: [2-(dimethylamino)ethyl]triphenylphosphonium bromide
cas: 21331-80-6
dtxsid: DTXSID30943890
formula: C22H25NP
inchikey: YIIHEMGEQQWSMA-UHFFFAOYSA-M
norman_susdat_id: NS00050432
pubchem_cid: 2724136
smiles: [Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CCN(C)C
inchi:
InChI=1/C22H25NP.BrH/c1-23(2)18-19-24(20-12-6-3-7-13-20,21-14-8-4-9-15-21)22-16-10-5-11-17-22;/h3-17H,18-19H2,1-2H3;1H/q+1;/p-1


name: Benzoic acid, 2,3,4,5-tetrachloro-6-(2,4,5,7-tetrabromo-6-hydroxy-3-oxo-3H-xanthen-9-yl)-
cas: 2134-15-8
chebiid: CHEBI:87193
chemspiderid: 360921
formula: C20H4Br4Cl4O5
inchikey: RIVZUHBWXRGVOG-UHFFFAOYSA-N
norman_susdat_id: NS00006906
pubchem_cid: 407912
smiles: OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1-c1c2cc(Br)c(O)c(Br)c2oc2c(Br)c(=O)c(Br)cc12
inchi:
InChI=1S/C20H4Br4Cl4O5/c21-5-1-3-7(8-9(20(31)32)13(26)15(28)14(27)12(8)25)4-2-6(22)17(30)11(24)19(4)33-18(3)10(23)16(5)29/h1-2,29H,(H,31,32)


name: 2-naphthyl N-benzoyl-3-phenyl-DL-alaninate
cas: 2134-24-9
dtxsid: DTXSID30943895
formula: C26H21NO3
inchikey: NPPKNSHRAVHLHD-DEOSSOPVSA-N
norman_susdat_id: NS00048615
pubchem_cid: 989347
smiles: O=C(OC=1C=CC=2C=CC=CC2C1)C(NC(=O)C=3C=CC=CC3)CC=4C=CC=CC4
inchi:
InChI=1/C26H21NO3/c28-25(21-12-5-2-6-13-21)27-24(17-19-9-3-1-4-10-19)26(29)30-23-16-15-20-11-7-8-14-22(20)18-23/h1-16,18,24H,17H2,(H,27,28)


name: Methyl (20ß)-19,20-dihydro-3-oxovobasan-17-oate
cas: 2134-98-7
chebiid: CHEBI:142075
formula: C21H26N2O3
inchikey: FFVRRQMGGGTQRH-DTPILHQWSA-N
norman_susdat_id: NS00048689
pubchem_cid: 12309360
smiles: O=C(OC)C1C2N(C)CC(CC)C1CC(=O)C=3NC=4C=CC=CC4C3C2
inchi:
InChI=1/C21H26N2O3/c1-4-12-11-23(2)17-9-15-13-7-5-6-8-16(13)22-20(15)18(24)10-14(12)19(17)21(25)26-3/h5-8,12,14,17,19,22H,4,9-11H2,1-3H3


name: Edaglitazone
cas: 213411-83-7
dtxsid: DTXSID00870240
formula: C24H20N2O4S2
inchikey: HAAXAFNSRADSMK-HXUWFJFHSA-N
norman_susdat_id: NS00068479
smiles: Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H]2SC(=O)NC2=O)c2sccc12
inchi:
InChI=1S/C24H20N2O4S2/c1-14-18(25-23(30-14)15-5-3-2-4-6-15)9-11-29-19-8-7-16(21-17(19)10-12-31-21)13-20-22(27)26-24(28)32-20/h2-8,10,12,20H,9,11,13H2,1H3,(H,26,27,28)/t20-/m1/s1


name: Orthosulfamuron
cas: 213464-77-8
chebiid: CHEBI:141068
chemspiderid: 9266313
dtxsid: DTXSID4034788
formula: C16H20N6O6S1
inchikey: UCDPMNSCCRBWIC-UHFFFAOYSA-N
norman_susdat_id: NS00026846
pubchem_cid: 11091168
smiles: COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nc2c(cccc2)C(=O)N(C)C)n1
inchi:
InChI=1S/C16H20N6O6S/c1-22(2)14(23)10-7-5-6-8-11(10)20-29(25,26)21-16(24)19-15-17-12(27-3)9-13(18-15)28-4/h5-9,20H,1-4H3,(H2,17,18,19,21,24)


name: 9-fluoro-11ß-hydroxy-16a,17-(isopropylidenedioxy)pregna-1,4-diene-3,20-dione
cas: 2135-14-0
chebiid: CHEBI:34672
dtxsid: DTXSID60943909
formula: C24H31FO5
inchikey: BSHYASCHOGHGHW-PIQRJGQMSA-N
norman_susdat_id: NS00047909
pubchem_cid: 11954034
smiles: O=C1C=CC2(C(=C1)CCC3C4CC5OC(OC5(C(=O)C)C4(C)CC(O)C32F)(C)C)C
inchi:
InChI=1/C24H31FO5/c1-13(26)24-19(29-20(2,3)30-24)11-17-16-7-6-14-10-15(27)8-9-21(14,4)23(16,25)18(28)12-22(17,24)5/h8-10,16-19,28H,6-7,11-12H2,1-5H3


name: 9ß,11ß-epoxy-6a-fluoro-17,21-dihydroxy-16a-methylpregna-1,4-diene-3,20-dione 21-pivalate
cas: 2135-16-2
dtxsid: DTXSID70943910
formula: C27H35FO6
inchikey: CPGKQIUXETTXGT-AGQVYWRLSA-N
norman_susdat_id: NS00048616
pubchem_cid: 102209
smiles: O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(O)(C(=O)COC(=O)C(C)(C)C)C4(C)CC5OC532)C
inchi:
InChI=1/C27H35FO6/c1-14-9-16-17-11-19(28)18-10-15(29)7-8-24(18,5)27(17)21(34-27)12-25(16,6)26(14,32)20(30)13-33-22(31)23(2,3)4/h7-8,10,14,16-17,19,21,32H,9,11-13H2,1-6H3


name: Flumethasone
cas: 2135-17-3
chebiid: CHEBI:34764
chemspiderid: 15632
dtxsid: DTXSID2045365
formula: C22H28F2O5
inchikey: WXURHACBFYSXBI-GQKYHHCASA-N
norman_susdat_id: NS00001953
pubchem_cid: 16490
smiles: C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO
inchi:
InChI=1S/C22H28F2O5/c1-11-6-13-14-8-16(23)15-7-12(26)4-5-19(15,2)21(14,24)17(27)9-20(13,3)22(11,29)18(28)10-25/h4-5,7,11,13-14,16-17,25,27,29H,6,8-10H2,1-3H3/t11-,13+,14+,16+,17+,19+,20+,21+,22+/m1/s1


name: Viminol
cas: 21363-18-8
chebiid: CHEBI:135532
chemspiderid: 59125
formula: C21H31Cl1N2O1
inchikey: ZILPIBYANAFGMS-UHFFFAOYSA-N
norman_susdat_id: NS00004426
pubchem_cid: 65697
smiles: CCC(C)N(CC(O)c1cccn1Cc1ccccc1Cl)C(C)CC
inchi:
InChI=1S/C21H31ClN2O/c1-5-16(3)24(17(4)6-2)15-21(25)20-12-9-13-23(20)14-18-10-7-8-11-19(18)22/h7-13,16-17,21,25H,5-6,14-15H2,1-4H3


cas: 21368-26-3
chemspiderid: 80198
dtxsid: DTXSID20175628
formula: C16H21N3O4S2
inchikey: YTTIJYIEPFKITG-UHFFFAOYSA-N
norman_susdat_id: NS00021848
pubchem_cid: 88879
smiles: CCOC(=O)c1c(C)n(C)c(=C2C(=O)N(CC)C(=S)N(CC)C2=O)s1
name:
Ethyl 2-(1,3-diethyltetrahydro-4,6-dioxo-2-thioxo-(2H)-pyrimidin-5-ylidene)-2,3-dihydro-3,4-dimethylthiazole-5-carboxylate

inchi:
InChI=1S/C16H21N3O4S2/c1-6-18-12(20)10(13(21)19(7-2)16(18)24)14-17(5)9(4)11(25-14)15(22)23-8-3/h6-8H2,1-5H3


name: Gestonorone
cas: 2137-18-0
chebiid: CHEBI:135991
chemspiderid: 92341
dtxsid: DTXSID50175631
formula: C20H28O3
inchikey: GTFUITFQDGVJSK-XGXHKTLJSA-N
norman_susdat_id: NS00011523
pubchem_cid: 102210
smiles: CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@]12C
inchi:
InChI=1S/C20H28O3/c1-12(21)20(23)10-8-18-17-5-3-13-11-14(22)4-6-15(13)16(17)7-9-19(18,20)2/h11,15-18,23H,3-10H2,1-2H3/t15-,16+,17+,18-,19-,20-/m0/s1


cas: 213740-80-8
dtxsid: DTXSID50882934
norman_susdat_id: NS00110657
name:
Iodonium, bis[4-(1,1-dimethylethyl)phenyl]-, salt with 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonic acid (1:1)


name: Cholest-5-en-3ß-ol, compound with (3ß,5Z,7E)-9,10-secocholesta-5,7,10(19)-trien-3-ol
cas: 2138-18-3
formula: C27H46O.xC27H44O
inchikey: BAPDQBCWGVYLDI-ITJZDPOSSA-N
norman_susdat_id: NS00083207
inchi:
InChI=1/C27H46O.C27H44O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5;1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3;12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3

smiles:
CC(C)CCC[C@@H](C)[C@H]3CC[C@H]2[C@@H]4C\C=C1\C[C@@H](O)CC[C@]1(C)[C@H]4CC[C@@]23C.O[C@@H]3C\C(=C\C=C2CCC[C@@]1(C)[C@H]2CC[C@@H]1[C@H](C)CCCC(C)C)C(=C)CC3


name: Tetrahexylammonium iodide
cas: 2138-24-1
formula: C24H52N.I
inchikey: VRKHAMWCGMJAMI-UHFFFAOYSA-M
norman_susdat_id: NS00082910
smiles: [I-].CCCCCC[N+](CCCCCC)(CCCCCC)CCCCCC
inchi:
InChI=1/C24H52N.HI/c1-5-9-13-17-21-25(22-18-14-10-6-2,23-19-15-11-7-3)24-20-16-12-8-4;/h5-24H2,1-4H3;1H/q+1;/p-1


name: Belotecan
cas: 213819-48-8
chebiid: CHEBI:135702
dtxsid: DTXSID60180332
formula: C25H27N3O4
inchikey: LNHWXBUNXOXMRL-VWLOTQADSA-N
norman_susdat_id: NS00069342
pubchem_cid: 6456014
smiles: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccccc1c2CCNC(C)C
inchi:
InChI=1S/C25H27N3O4/c1-4-25(31)19-11-21-22-17(12-28(21)23(29)18(19)13-32-24(25)30)15(9-10-26-14(2)3)16-7-5-6-8-20(16)27-22/h5-8,11,14,26,31H,4,9-10,12-13H2,1-3H3/t25-/m0/s1


name: Nifenazone
cas: 2139-47-1
chebiid: CHEBI:31910
chemspiderid: 4332
dtxsid: DTXSID7045366
formula: C17H16N4O2
inchikey: BRZANEXCSZCZCI-UHFFFAOYSA-N
norman_susdat_id: NS00010564
pubchem_cid: 4487
smiles: CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CN=CC=C3
inchi:
InChI=1S/C17H16N4O2/c1-12-15(19-16(22)13-7-6-10-18-11-13)17(23)21(20(12)2)14-8-4-3-5-9-14/h3-11H,1-2H3,(H,19,22)


name: Dihydrogen [[N,N'-ethylenebis[N-(carboxymethyl)glycinato]](4-)-N,N',O,O',ON,ON']ferrate(2-)
cas: 21393-59-9
formula: C10H12FeN2O8.2H
inchikey: JVXHQHGWBAHSSF-UHFFFAOYSA-L
norman_susdat_id: NS00083476
smiles: OC(=O)CN(CCN1CC(=O)O[Fe]OC(=O)C1)CC(=O)O
inchi:
InChI=1/C10H16N2O8.Fe/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);/q;+2/p-2


name: N-(1-oxooctadecyl)-DL-methionine
cas: 21394-42-3
dtxsid: DTXSID10943939
formula: C23H45NO3S
inchikey: RYUVEEZMMFRGGS-NRFANRHFSA-N
norman_susdat_id: NS00050436
pubchem_cid: 14993924
smiles: O=C(NC(C(=O)O)CCSC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C23H45NO3S/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/h21H,3-20H2,1-2H3,(H,24,25)(H,26,27)


name: N-(1-oxododecyl)-DL-methionine
cas: 21394-44-5
dtxsid: DTXSID20943940
formula: C17H33NO3S
inchikey: PFSGUIFKRGNSHV-HNNXBMFYSA-N
norman_susdat_id: NS00050437
pubchem_cid: 486206
smiles: O=C(NC(C(=O)O)CCSC)CCCCCCCCCCC
inchi:
InChI=1/C17H33NO3S/c1-3-4-5-6-7-8-9-10-11-12-16(19)18-15(17(20)21)13-14-22-2/h15H,3-14H2,1-2H3,(H,18,19)(H,20,21)


name: N-(1-oxodecyl)-DL-methionine
cas: 21394-48-9
dtxsid: DTXSID80943941
formula: C15H29NO3S
inchikey: PECAWSDTQIFOPF-ZDUSSCGKSA-N
norman_susdat_id: NS00049710
pubchem_cid: 486205
smiles: O=C(NC(C(=O)O)CCSC)CCCCCCCCC
inchi:
InChI=1/C15H29NO3S/c1-3-4-5-6-7-8-9-10-14(17)16-13(15(18)19)11-12-20-2/h13H,3-12H2,1-2H3,(H,16,17)(H,18,19)


name: N-(1-oxooctyl)-DL-methionine
cas: 21394-50-3
formula: C13H25NO3S
inchikey: QZNATRWVQKQCCC-NSHDSACASA-N
norman_susdat_id: NS00049108
pubchem_cid: 21116504
smiles: O=C(NC(C(=O)O)CCSC)CCCCCCC
inchi:
InChI=1/C13H25NO3S/c1-3-4-5-6-7-8-12(15)14-11(13(16)17)9-10-18-2/h11H,3-10H2,1-2H3,(H,14,15)(H,16,17)


name: N-myristoyl-L-serine
cas: 21394-57-0
formula: C17H33NO4
inchikey: PNOPPKWUFKUHSX-HNNXBMFYSA-N
norman_susdat_id: NS00083784
smiles: CCCCCCCCCCCCCC(=O)N[C@@H](CO)C(=O)O
inchi:
InChI=1/C17H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16(20)18-15(14-19)17(21)22/h15,19H,2-14H2,1H3,(H,18,20)(H,21,22)


cas: 213967-55-6
chemspiderid: 9102265
formula: C15H17Cl1N6O2S1
inchikey: OSEYSJXIROSHNU-UHFFFAOYSA-N
norman_susdat_id: NS00010092
pubchem_cid: 54166798
smiles: CN1CN(Cc2ccccc2)CN(Cc2cnc(Cl)s2)C1=N[N+]([O-])=O
name:
1,3,5-Triazin-2(1H)-imine, 1-[(2-chloro-5-thiazolyl)methyl]tetrahydro-3-methyl-N-nitro-5-(phenylmethyl)-

inchi:
InChI=1S/C15H17ClN6O2S/c1-19-10-20(8-12-5-3-2-4-6-12)11-21(15(19)18-22(23)24)9-13-7-17-14(16)25-13/h2-7H,8-11H2,1H3


name: 2',3'-isopropylideneinosine
cas: 2140-11-6
dtxsid: DTXSID30943951
formula: C13H16N4O5
inchikey: UJEJQRXYNQBCMG-GDQJLZBOSA-N
norman_susdat_id: NS00049273
pubchem_cid: NA
smiles: OC1=NC=NC2=C1N=CN2C3OC(CO)C4(O)C3(O)C4(C)C
inchi:
InChI=1/C13H16N4O5/c1-11(2)12(20)6(3-18)22-10(13(11,12)21)17-5-16-7-8(17)14-4-15-9(7)19/h4-6,10,18,20-21H,3H2,1-2H3,(H,14,15,19)


name: 25-Hydroxycholesterol
cas: 2140-46-7
chebiid: CHEBI:42977
dtxsid: DTXSID5044023
formula: C27H46O2
inchikey: INBGSXNNRGWLJU-ZHHJOTBYSA-N
norman_susdat_id: NS00069994
pubchem_cid: 65094
smiles: C[C@H](CCCC(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(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1


name: Butyryl-coenzyme A
cas: 2140-48-9
chebiid: CHEBI:15517
chemspiderid: 388410
formula: C25H42N7O17P3S1
inchikey: CRFNGMNYKDXRTN-CITAKDKDSA-N
norman_susdat_id: NS00014819
pubchem_cid: 122283
smiles: O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCC
inchi:
InChI=1S/C25H42N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,18-,19-,20+,24-/m1/s1


name: 5-methylcytidine
cas: 2140-61-6
chebiid: CHEBI:20607
formula: C10H15N3O5
inchikey: ZAYHVCMSTBRABG-JXOAFFINSA-N
norman_susdat_id: NS00049274
pubchem_cid: 92918
smiles: O=C1N=C(N)C(=CN1C2OC(CO)C(O)C2O)C
inchi:
InChI=1/C10H15N3O5/c1-4-2-13(10(17)12-8(4)11)9-7(16)6(15)5(3-14)18-9/h2,5-7,9,14-16H,3H2,1H3,(H2,11,12,17)


name: N2,N2-Dimethylguanosin
cas: 2140-67-2
chemspiderid: 523014
formula: C12H17N5O5
inchikey: RSPURTUNRHNVGF-UHFFFAOYSA-N
norman_susdat_id: NS00004532
pubchem_cid: 601633
smiles: CN(C)c1nc(=O)c2ncn(C3OC(CO)C(O)C3O)c2[nH]1
inchi:
InChI=1S/C12H17N5O5/c1-16(2)12-14-9-6(10(21)15-12)13-4-17(9)11-8(20)7(19)5(3-18)22-11/h4-5,7-8,11,18-20H,3H2,1-2H3,(H,14,15,21)


name: 2'-O-Methylguanosine
cas: 2140-71-8
chebiid: CHEBI:19229
chemspiderid: 164190
dtxsid: DTXSID80175669
formula: C11H15N5O5
inchikey: OVYNGSFVYRPRCG-KQYNXXCUSA-N
norman_susdat_id: NS00014685
pubchem_cid: 188959
smiles: O=C3/N=C(/N)Nc1c3ncn1C2OC(C(O)C2OC)CO
inchi:
InChI=1S/C11H15N5O5/c1-20-7-6(18)4(2-17)21-10(7)16-3-13-5-8(16)14-11(12)15-9(5)19/h3-4,6-7,10,17-18H,2H2,1H3,(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1


name: N2-Methylguanosine
cas: 2140-77-4
chebiid: CHEBI:19702
chemspiderid: 464876
formula: C11H15N5O5
inchikey: SLEHROROQDYRAW-KQYNXXCUSA-N
norman_susdat_id: NS00014684
pubchem_cid: 3035422
smiles: O=C3/N=C(/NC)Nc1c3ncn1C2OC(C(O)C2O)CO
inchi:
InChI=1S/C11H15N5O5/c1-12-11-14-8-5(9(20)15-11)13-3-16(8)10-7(19)6(18)4(2-17)21-10/h3-4,6-7,10,17-19H,2H2,1H3,(H2,12,14,15,20)/t4-,6-,7-,10-/m1/s1


name: 2'-O-Methyladenosine
cas: 2140-79-6
chebiid: CHEBI:69426
chemspiderid: 92344
dtxsid: DTXSID50175671
formula: C11H15N5O4
inchikey: FPUGCISOLXNPPC-IOSLPCCCSA-N
norman_susdat_id: NS00015020
pubchem_cid: 102213
smiles: COC1C(C(OC1N2C=NC3=C2N=CN=C3N)CO)O
inchi:
InChI=1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7-,8-,11-/m1/s1


cas: 214002-95-6
dtxsid: DTXSID50882691
norman_susdat_id: NS00110634
name:
2-Propenoic acid, 2-methyl-, methyl ester, polymer with 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl-2-propenoate, methyloxirane polymer with oxirane mono-2-propenoate butyl ether, and 2-propenoic acid


name: Taxiphyllin
cas: 21401-21-8
chebiid: CHEBI:16267
chemspiderid: 96890
dtxsid: DTXSID70175673
formula: C14H17NO7
inchikey: NVLTYOJHPBMILU-GMDXDWKASA-N
norman_susdat_id: NS00094769
pubchem_cid: 107721
smiles: OC[C@H]1O[C@@H](O[C@@H](C#N)C2=CC=C(O)C=C2)[C@H](O)[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C14H17NO7/c15-5-9(7-1-3-8(17)4-2-7)21-14-13(20)12(19)11(18)10(6-16)22-14/h1-4,9-14,16-20H,6H2/t9-,10+,11+,12-,13+,14+/m0/s1


name: 1,3,5-Triazine-2,4-diamine, 6,6'-(2-methyl-1,3-propanediyl)bis-
cas: 21402-12-0
chemspiderid: 80206
dtxsid: DTXSID9066702
formula: C10H16N10
inchikey: BZCCQQSAVSKZCV-UHFFFAOYSA-N
norman_susdat_id: NS00026857
pubchem_cid: 88887
smiles: CC(Cc1nc(N)nc(N)n1)Cc1nc(N)nc(N)n1
inchi:
InChI=1S/C10H16N10/c1-4(2-5-15-7(11)19-8(12)16-5)3-6-17-9(13)20-10(14)18-6/h4H,2-3H2,1H3,(H4,11,12,15,16,19)(H4,13,14,17,18,20)


name: Verussurine
cas: 214046-03-4
chemspiderid: 21672144
formula: C43H61NO13
inchikey: MHQPNCBMPCWYOY-BXFKSJAZSA-N
norman_susdat_id: NS00094308
pubchem_cid: 10282415
smiles:
CCC(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)C8=CC(=C(C=C8)OC)OC)O)C)OC(=O)C)O)O


name: Pentyltriphenylphosphonium bromide
cas: 21406-61-1
dtxsid: DTXSID40943967
formula: C23H26P
inchikey: VAUKWMSXUKODHR-UHFFFAOYSA-M
norman_susdat_id: NS00050501
pubchem_cid: 2724565
smiles: [Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)CCCCC
inchi:
InChI=1/C23H26P.BrH/c1-2-3-13-20-24(21-14-7-4-8-15-21,22-16-9-5-10-17-22)23-18-11-6-12-19-23;/h4-12,14-19H,2-3,13,20H2,1H3;1H/q+1;/p-1


name: Despropionylfentanyl
cas: 21409-26-7
chemspiderid: 80209
dtxsid: DTXSID40175680
formula: C19H24N2
inchikey: ZCMDXDQUYIWEKB-UHFFFAOYSA-N
norman_susdat_id: NS00018619
pubchem_cid: 88890
smiles: C1CN(CCC1NC2=CC=CC=C2)CCC3=CC=CC=C3
inchi:
InChI=1S/C19H24N2/c1-3-7-17(8-4-1)11-14-21-15-12-19(13-16-21)20-18-9-5-2-6-10-18/h1-10,19-20H,11-16H2


name: 5-Ethyl-3,4-dihydro-1,2-dimethyl-4,4-diphenyl-2H-pyrrolium
cas: 21409-27-8
chebiid: CHEBI:174661
dtxsid: DTXSID30880953
formula: C20H24N
inchikey: SCIYBRNSSXZMKG-UHFFFAOYSA-N
norman_susdat_id: NS00075569
smiles: CCC1=[N+](C)C(C)CC1(C1=CC=CC=C1)C1=CC=CC=C1
inchi:
InChI=1/C20H24N/c1-4-19-20(15-16(2)21(19)3,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16H,4,15H2,1-3H3/q+1


name: 4,17beta-Dihydroxy-4-androstene-3-one
cas: 2141-17-5
chebiid: CHEBI:173052
dtxsid: DTXSID80902477
formula: C19H28O3
inchikey: BQOIJSIMMIDHMO-FBPKJDBXSA-N
norman_susdat_id: NS00068007
smiles: [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CCC2=C(O)C(=O)CC[C@]12C
inchi:
InChI=1S/C19H28O3/c1-18-10-8-15(20)17(22)14(18)4-3-11-12-5-6-16(21)19(12,2)9-7-13(11)18/h11-13,16,21-22H,3-10H2,1-2H3/t11-,12-,13-,16-,18+,19-/m0/s1


name: Virginiamycin M1
cas: 21411-53-0
chebiid: CHEBI:9997
chemspiderid: 10222381
dtxsid: DTXSID30873800
formula: C28H35N3O7
inchikey: DAIKHDNSXMZDCU-FQTGFAPKSA-N
norman_susdat_id: NS00011661
pubchem_cid: 5459319
smiles: C[C@@H]1/C=C/C(=O)NC/C=C/C(=C/[C@H](CC(=O)Cc2nc(co2)C(=O)N3CCC=C3C(=O)O[C@@H]1C(C)C)O)/C
inchi:
InChI=1S/C28H35N3O7/c1-17(2)26-19(4)9-10-24(34)29-11-5-7-18(3)13-20(32)14-21(33)15-25-30-22(16-37-25)27(35)31-12-6-8-23(31)28(36)38-26/h5,7-10,13,16-17,19-20,26,32H,6,11-12,14-15H2,1-4H3,(H,29,34)/b7-5+,10-9+,18-13+/t19-,20-,26-/m1/s1


name: Glucoraphanin
cas: 21414-41-5
chemspiderid: 570930
formula: C12H23N1O10S3
inchikey: GMMLNKINDDUDCF-RFOBZYEESA-N
norman_susdat_id: NS00018306
pubchem_cid: 9548634
smiles: CS(=O)CCCCC(=NOS(=O)(=O)O)SC1C(C(C(C(O1)CO)O)O)O
inchi:
InChI=1S/C12H23NO10S3/c1-25(18)5-3-2-4-8(13-23-26(19,20)21)24-12-11(17)10(16)9(15)7(6-14)22-12/h7,9-12,14-17H,2-6H2,1H3,(H,19,20,21)/b13-8+/t7-,9-,10+,11-,12+,25?/m1/s1


cas: 21414-53-9
dtxsid: DTXSID90943977
formula: C20H32O
inchikey: PMRGRURZTGRVDP-UHFFFAOYSA-N
norman_susdat_id: NS00049151
pubchem_cid: 89499
smiles: OCC1(C)CCCC2(C3=C(C=C(CC3)C(C)C)CCC21)C
name:
[1R-(1a,4aß,10aa)]-1,2,3,4,4a,5,6,9,10,10a-decahydro-7-isopropyl-1,4a-dimethylphenanthren-1-methanol

inchi:
InChI=1/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h12,14,18,21H,5-11,13H2,1-4H3


name: 2-Naphthalenecarboxylic acid, 3-hydroxy-4-((1-sulfo-2-naphthalenyl)azo)-
cas: 21416-46-6
chemspiderid: 7851463
formula: C21H14N2O6S1
inchikey: PWUSHZPXYOALFZ-GHVJWSGMSA-N
norman_susdat_id: NS00040967
pubchem_cid: 5487917
smiles: OC(=O)c1cc2ccccc2c(N=Nc2ccc3ccccc3c2S(O)(=O)=O)c1O
inchi:
InChI=1S/C21H14N2O6S/c24-19-16(21(25)26)11-13-6-2-3-7-14(13)18(19)23-22-17-10-9-12-5-1-4-8-15(12)20(17)30(27,28)29/h1-11,24H,(H,25,26)(H,27,28,29)/b23-22+


name: Picrotin
cas: 21416-53-5
chebiid: CHEBI:8205
dtxsid: DTXSID80274161
formula: C15H18O7
inchikey: RYEFFICCPKWYML-QCGISDTRSA-N
norman_susdat_id: NS00096985
smiles: C[C@@]12[C@H]3[C@H]4[C@H]([C@@H]([C@@]1(C[C@@H]5[C@]2(O5)C(=O)O3)O)C(=O)O4)C(C)(C)O
inchi:
InChI=1S/C15H18O7/c1-12(2,18)6-7-10(16)20-8(6)9-13(3)14(7,19)4-5-15(13,22-5)11(17)21-9/h5-9,18-19H,4H2,1-3H3/t5-,6+,7-,8-,9-,13-,14-,15+/m1/s1


name: ICRF-159
cas: 21416-67-1
chebiid: CHEBI:50225
chemspiderid: 28423
dtxsid: DTXSID0020733
formula: C11H16N4O4
inchikey: BMKDZUISNHGIBY-UHFFFAOYSA-N
norman_susdat_id: NS00005082
pubchem_cid: 30623
smiles: CC(CN1CC(=O)NC(=O)C1)N1CC(=O)NC(=O)C1
inchi:
InChI=1S/C11H16N4O4/c1-7(15-5-10(18)13-11(19)6-15)2-14-3-8(16)12-9(17)4-14/h7H,2-6H2,1H3,(H,12,16,17)(H,13,18,19)


cas: 21429-42-5
formula: C21H25ClN6O9
inchikey: PTFFWQCVPCXSOG-UHFFFAOYSA-N
norman_susdat_id: NS00050502
pubchem_cid: 88895
smiles: O=C(OCCN(C1=CC(NC(=O)C)=C(N=NC2=C(Cl)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C=C1OC)CCO)C
name:
2-[[5-acetamido-4-[(2-chloro-4,6-dinitrophenyl)azo]-2-methoxyphenyl](2-hydroxyethyl)amino]ethyl acetate

inchi:
InChI=1/C21H23ClN6O9/c1-12(30)23-16-10-18(26(4-6-29)5-7-37-13(2)31)20(36-3)11-17(16)24-25-21-15(22)8-14(27(32)33)9-19(21)28(34)35/h8-11,29H,4-7H2,1-3H3,(H,23,30)


name: C.I. Disperse Blue 79 (Cl/ethoxy)
cas: 21429-43-6
chemspiderid: 80215
dtxsid: DTXSID4066703
formula: C24H27Cl1N6O10
inchikey: COHDSNUKFGNOIB-UHFFFAOYSA-N
norman_susdat_id: NS00021058
pubchem_cid: 88896
smiles: CCOc1c(cc(NC(=O)C)c(c1)N=Nc1c(Cl)cc(cc1[N+](=O)[O-])[N+](=O)[O-])N(CCOC(=O)C)CCOC(=O)C
inchi:
InChI=1S/C24H27ClN6O10/c1-5-39-23-13-20(27-28-24-18(25)10-17(30(35)36)11-22(24)31(37)38)19(26-14(2)32)12-21(23)29(6-8-40-15(3)33)7-9-41-16(4)34/h10-13H,5-9H2,1-4H3,(H,26,32)


cas: 214334-16-4
dtxsid: DTXSID00882989
norman_susdat_id: NS00108923
name:
1,2,3-Propanetricarboxylic acid, 2-hydroxy-, 1,2-bis(2-octyldodecyl) 3-(3,3,4,4,5,5,6,6,7,7,7-undecafluoroheptyl) ester


name: Capobenic acid
cas: 21434-91-3
chebiid: CHEBI:135388
chemspiderid: 28425
dtxsid: DTXSID3045695
formula: C16H23N1O6
inchikey: MPTXLVRHYGBOQY-UHFFFAOYSA-N
norman_susdat_id: NS00026868
pubchem_cid: 30627
smiles: COc1cc(cc(OC)c1OC)C(=O)NCCCCCC(=O)O
inchi:
InChI=1S/C16H23NO6/c1-21-12-9-11(10-13(22-2)15(12)23-3)16(20)17-8-6-4-5-7-14(18)19/h9-10H,4-8H2,1-3H3,(H,17,20)(H,18,19)


name: 11,12-Dibromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluorododecane
cas: 214358-54-0
dtxsid: DTXSID40895351
formula: C12H3Br2F21
inchikey: VQQUFCBIFOJLEP-UHFFFAOYSA-N
norman_susdat_id: NS00110359
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(Br)CBr
inchi:
InChI=1/C12H3Br2F21/c13-1-2(14)3(15,16)4(17,18)5(19,20)6(21,22)7(23,24)8(25,26)9(27,28)10(29,30)11(31,32)12(33,34)35/h2H,1H2


name: Naphthalazine
cas: 2144-00-5
chemspiderid: 67527
dtxsid: DTXSID1062203
formula: C22H16N2
inchikey: QBEFRSDYCFCLQT-UHFFFAOYSA-N
norman_susdat_id: NS00026869
pubchem_cid: 75063
smiles: C(=NN=Cc1c2ccccc2ccc1)/c1cccc2c1cccc2
inchi:
InChI=1S/C22H16N2/c1-3-13-21-17(7-1)9-5-11-19(21)15-23-24-16-20-12-6-10-18-8-2-4-14-22(18)20/h1-16H/b23-15+,24-16+


name: 6:2 Fluorotelomer methacrylate
cas: 2144-53-8
chemspiderid: 67618
dtxsid: DTXSID3047558
formula: C12H9F13O2
inchikey: CDXFIRXEAJABAZ-UHFFFAOYSA-N
norman_susdat_id: NS00010990
pubchem_cid: 75066
smiles: C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)COC(C(C)=C)=O
inchi:
InChI=1S/C12H9F13O2/c1-5(2)6(26)27-4-3-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h1,3-4H2,2H3


name: 10:2 Fluorotelomer methacrylate
cas: 2144-54-9
chemspiderid: 92345
dtxsid: DTXSID6062204
formula: C16H9F21O2
inchikey: FQHLOOOXLDQLPF-UHFFFAOYSA-N
norman_susdat_id: NS00010225
pubchem_cid: 102214
smiles: CC(=C)C(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C16H9F21O2/c1-5(2)6(38)39-4-3-7(17,18)8(19,20)9(21,22)10(23,24)11(25,26)12(27,28)13(29,30)14(31,32)15(33,34)16(35,36)37/h1,3-4H2,2H3


cas: 2145-14-4
dtxsid: DTXSID10944042
formula: C22H30FO8P
inchikey: MHQJKNHAJIVSPW-ZDKQYMEBSA-N
norman_susdat_id: NS00047924
pubchem_cid: NA
smiles: [Na+].[Na+].O=C1C=CC2(C(=C1)C(F)CC3C4CC(C)C(O)(C(=O)COP(=O)(O)O)C4(C)CC(O)C32)C
name:
Pregna-1,4-diene-3,20-dione, 6-fluoro-11,17-dihydroxy-16-methyl-21-(phosphonooxy)-, disodium salt, (6a,11ß,16a)-

inchi:
InChI=1/C22H30FO8P.2Na/c1-11-6-14-13-8-16(23)15-7-12(24)4-5-20(15,2)19(13)17(25)9-21(14,3)22(11,27)18(26)10-31-32(28,29)30;;/h4-5,7,11,13-14,16-17,19,25,27H,6,8-10H2,1-3H3,(H2,28,29,30);;/q;2*+1


name: Bromotetraphenylantimony
cas: 21450-52-2
formula: C24H20BrSb
inchikey: MRSXZVCXTGNNFI-UHFFFAOYSA-M
norman_susdat_id: NS00083819
smiles: Br[Sb](c1ccccc1)(c2ccccc2)(c3ccccc3)c4ccccc4
inchi:
InChI=1/4C6H5.BrH.Sb/c4*1-2-4-6-5-3-1;;/h4*1-5H;1H;/q;;;;;+1/p-1/rC24H20BrSb/c25-26(21-13-5-1-6-14-21,22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H


name: (+)-Syringaresinol
cas: 21453-69-0
chebiid: CHEBI:47
formula: C22H26O8
inchikey: KOWMJRJXZMEZLD-HCIHMXRSSA-N
norman_susdat_id: NS00097022
smiles: COC1=CC(=CC(=C1O)OC)[C@@H]2[C@H]3CO[C@@H]([C@H]3CO2)C4=CC(=C(C(=C4)OC)O)OC
inchi:
InChI=1S/C22H26O8/c1-25-15-5-11(6-16(26-2)19(15)23)21-13-9-30-22(14(13)10-29-21)12-7-17(27-3)20(24)18(8-12)28-4/h5-8,13-14,21-24H,9-10H2,1-4H3/t13-,14-,21+,22+/m0/s1


name: CP-457677
cas: 214535-77-0
chemspiderid: 8582837
dtxsid: DTXSID2047278
formula: C22H21F1N2O3
inchikey: UHBUSMAHWHZQKS-UHFFFAOYSA-N
norman_susdat_id: NS00015616
pubchem_cid: 10407399
smiles: CC(C)(C1=CC=C(C=C1)CNC(=O)C2=C(N=CC=C2)OC3=CC=C(C=C3)F)O
inchi:
InChI=1S/C22H21FN2O3/c1-22(2,27)16-7-5-15(6-8-16)14-25-20(26)19-4-3-13-24-21(19)28-18-11-9-17(23)10-12-18/h3-13,27H,14H2,1-2H3,(H,25,26)


name: Saponarioside A
cas: 214551-55-0
chemspiderid: 21672137
formula: C82H128O45
inchikey: LHFTZXBOKDXUHD-TURLHAQUSA-N
norman_susdat_id: NS00093717
pubchem_cid: 10282406
smiles:
C[C@@H]1O[C@H]([C@@H]([C@@H]([C@H]1O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)O)O)O)O[C@H]4[C@@H](O[C@@H]([C@@H]([C@@H]4O)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O[C@@H]6OC[C@H]([C@@H]([C@H]6O)O)O)OC(=O)C)C)C)OC(=O)[C@@]78[C@@H](C[C@]9([C@]1([C@@H]([C@@]2([C@H]([C@@]([C@H](CC2)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O[C@@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)CO)O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O)O)O)C(=O)O)(C=O)C)CC1)C)CC=C9[C@@H]7C[C@@](CC8)(C)C)C)C)O


name: Saponarioside B
cas: 214552-00-8
chemspiderid: 21672138
formula: C77H120O41
inchikey: DLMZYWJEFCXXFP-JFNHGSKRSA-N
norman_susdat_id: NS00093718
pubchem_cid: 10282407
smiles:
C[C@@H]1O[C@H]([C@@H]([C@@H]([C@H]1O[C@@H]2OC[C@H]([C@@H]([C@H]2O)O[C@@H]3OC[C@H]([C@@H]([C@H]3O)O)O)O)O)O)O[C@H]4[C@@H](O[C@@H]([C@@H]([C@@H]4O)O[C@@H]5O[C@@H]([C@H]([C@@H]([C@H]5O)O)OC(=O)C)C)C)OC(=O)[C@@]67[C@@H](C[C@]8([C@]9([C@@H]([C@@]1([C@H]([C@@]([C@H](CC1)O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO)O[C@@H]1OC[C@H]([C@@H]([C@H]1O)O)O)O)C(=O)O)(C=O)C)CC9)C)CC=C8[C@@H]6C[C@@](CC7)(C)C)C)C)O


name: Clindamycin hydrochloride
cas: 21462-39-5
chebiid: CHEBI:176915
dtxsid: DTXSID4045428
formula: C18H34Cl2N2O5S
inchikey: AUODDLQVRAJAJM-XJQDNNTCSA-N
norman_susdat_id: NS00076311
smiles: Cl.CCC[C@@H]1C[C@H](N(C)C1)C(=O)N[C@H]([C@H](C)Cl)[C@H]1O[C@H](SC)[C@H](O)[C@@H](O)[C@H]1O
inchi:
InChI=1S/C18H33ClN2O5S.ClH/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(26-16)27-4;/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25);1H/t9-,10+,11-,12+,13-,14+,15+,16+,18+;/m0./s1


name: Bromofenofos
cas: 21466-07-9
chebiid: CHEBI:81726
dtxsid: DTXSID40175746
formula: C12H7Br4O5P
inchikey: MMYHZEDBTMXYAF-UHFFFAOYSA-N
norman_susdat_id: NS00049780
pubchem_cid: 30652
smiles: O=P(O)(O)OC=1C(Br)=CC(Br)=CC1C=2C=C(Br)C=C(Br)C2O
inchi:
InChI=1/C12H7Br4O5P/c13-5-1-7(11(17)9(15)3-5)8-2-6(14)4-10(16)12(8)21-22(18,19)20/h1-4,17H,(H2,18,19,20)


cas: 214764-26-8
formula: C16H12F3NO5S2
inchikey: NAFSYPCVPLWHFY-HNNXBMFYSA-N
norman_susdat_id: NS00068629
pubchem_cid: 9844981
smiles: C[C@](O)(C(=O)Nc1cccc2c1C(=O)c1sccc1CS2(=O)=O)C(F)(F)F
name:
3,3,3-trifluoro-2-hydroxy-2-methyl-n-{2,9,9-trioxo-4,9??-dithiatricyclo[8.4.0.0³,?]tetradeca-1(10),3(7),5,11,13-pentaen-14-yl}propanamide

inchi:
InChI=1S/C16H12F3NO5S2/c1-15(23,16(17,18)19)14(22)20-9-3-2-4-10-11(9)12(21)13-8(5-6-26-13)7-27(10,24)25/h2-6,23H,7H2,1H3,(H,20,22)/t15-/m0/s1


name: Degarelix
cas: 214766-78-6
chemspiderid: 17292756
formula: C82H103Cl1N18O16
inchikey: MEUCPCLKGZSHTA-UHFFFAOYSA-N
norman_susdat_id: NS00040705
pubchem_cid: 16136245
inchi:
InChI=1S/C82H103ClN18O16/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)

smiles:
CC(C)CC(NC(=O)C(Cc1ccc(NC(N)=O)cc1)NC(=O)C(Cc1ccc(NC(=O)C2CC(=O)NC(=O)N2)cc1)NC(=O)C(CO)NC(=O)C(Cc1cccnc1)NC(=O)C(Cc1ccc(Cl)cc1)NC(=O)C(Cc1ccc2ccccc2c1)NC(C)=O)C(=O)NC(CCCCNC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(N)=O


name: [R-(R*,R*)]-2-[(dichloroacetyl)amino]-3-hydroxy-3-[4-(methylsulphonyl)phenyl]propyl palmitate
cas: 21478-01-3
dtxsid: DTXSID60944072
formula: C28H45Cl2NO6S
inchikey: MYPUUWZQHGIRSY-UHFFFAOYSA-N
norman_susdat_id: NS00049792
pubchem_cid: 89502
smiles: O=C(OCC(NC(=O)C(Cl)Cl)C(O)C1=CC=C(C=C1)S(=O)(=O)C)CCCCCCCCCCCCCCC
inchi:
InChI=1/C28H45Cl2NO6S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25(32)37-21-24(31-28(34)27(29)30)26(33)22-17-19-23(20-18-22)38(2,35)36/h17-20,24,26-27,33H,3-16,21H2,1-2H3,(H,31,34)


name: N-(4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-3-yl)-N2-(2-methylpropionyl)-N2-octadecyl-L-asparagine
cas: 21478-11-5
dtxsid: DTXSID20944073
formula: C35H56N4O5
inchikey: JLUISDDIQNPTPU-PMERELPUSA-N
norman_susdat_id: NS00049793
pubchem_cid: 21116505
smiles: O=C(O)C(N(C(=O)C(C)C)CCCCCCCCCCCCCCCCCC)CC(=O)NC1=NN(C(=O)C1)C=2C=CC=CC2
inchi:
InChI=1/C35H56N4O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-38(34(42)28(2)3)30(35(43)44)26-32(40)36-31-27-33(41)39(37-31)29-23-20-19-21-24-29/h19-21,23-24,28,30H,4-18,22,25-27H2,1-3H3,(H,43,44)(H,36,37,40)


name: Talsupram
cas: 21489-20-3
dtxsid: DTXSID50864992
formula: C20H25NS
inchikey: FKHYYOUFMJBLAF-FQEVSTJZSA-N
norman_susdat_id: NS00068782
smiles: CNCCC[C@@]1(c2ccccc2)SC(C)(C)c2ccccc21
inchi:
InChI=1S/C20H25NS/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3/t20-/m0/s1


name: Azaspiracid
cas: 214899-21-5
chemspiderid: 29394109
dtxsid: DTXSID9040974
formula: C47H71N1O12
inchikey: AHFHSIVCLPAESC-UHFFFAOYSA-N
norman_susdat_id: NS00009317
pubchem_cid: NA
inchi:
InChI=1S/C47H71NO12/c1-26-18-36-41-38(24-45(58-41)30(5)17-27(2)25-48-45)56-44(22-26,55-36)23-29(4)40-28(3)19-32(7)47(52,59-40)42(51)37-21-35-34(53-37)20-31(6)46(57-35)16-15-43(60-46)14-10-12-33(54-43)11-8-9-13-39(49)50/h8,10-11,14,26-28,30-38,40-42,48,51-52H,4,9,12-13,15-25H2,1-3,5-7H3,(H,49,50)

smiles:
CC1CNC2(CC3OC4(CC(=C)C5OC(O)(C(O)C6CC7OC8(CCC9(O8)OC(CC=C9)C=CCCC(O)=O)C(C)CC7O6)C(C)CC5C)CC(C)CC(O4)C3O2)C(C)C1


name: Orotidine 5'-monophosphate
cas: 2149-82-8
chebiid: CHEBI:15842
chemspiderid: 943
formula: C10H13N2O11P1
inchikey: KYOBSHFOBAOFBF-XVFCMESISA-N
norman_susdat_id: NS00015156
pubchem_cid: 160617
smiles: O[C@@H]1[C@H](O)[C@H](O[C@H]1n1c(=O)nc(cc1C(=O)O)O)COP(=O)(O)O
inchi:
InChI=1S/C10H13N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h1,4,6-8,14-15H,2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t4-,6-,7-,8-/m1/s1


name: Disodium 2-[4-[(1-hydroxy-4-sulphonato-2-naphthyl)azo]phenyl]-6-methylbenzothiazole-7-sulphonate
cas: 2150-33-6
formula: C24H17N3O7S3
inchikey: IUCFJXIRNJWRPI-UHFFFAOYSA-L
norman_susdat_id: NS00048680
pubchem_cid: 160619
inchi:
InChI=1/C24H17N3O7S3.2Na/c1-13-6-11-18-22(23(13)37(32,33)34)35-24(25-18)14-7-9-15(10-8-14)26-27-19-12-20(36(29,30)31)16-4-2-3-5-17(16)21(19)28;;/h2-12,28H,1H3,(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2

smiles:
[Na+].[Na+].O=S(=O)([O-])C1=CC(N=NC2=CC=C(C=C2)C3=NC=4C=CC(=C(C4S3)S(=O)(=O)[O-])C)=C(O)C=5C=CC=CC51


name: Pyronine B
cas: 2150-48-3
chebiid: CHEBI:90410
chemspiderid: 15664
formula: C21H27N2O1
inchikey: BIOUTGSRJYRPFT-UHFFFAOYSA-N
norman_susdat_id: NS00015033
pubchem_cid: 16525
smiles: CCN(c1ccc2c(c1)[o+]c1c(c2)ccc(c1)N(CC)CC)CC
inchi:
InChI=1S/C21H27N2O/c1-5-22(6-2)18-11-9-16-13-17-10-12-19(23(7-3)8-4)15-21(17)24-20(16)14-18/h9-15H,5-8H2,1-4H3/q+1


cas: 2150-54-1
dtxsid: DTXSID1025196
formula: C34H26N4O16S4
inchikey: JUEBRKPPGMULSU-UHFFFAOYSA-J
norman_susdat_id: NS00048514
pubchem_cid: 409752
name:
Tetrasodium 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[4,5-dihydroxynaphthalene-2,7-disulphonate]

inchi:
InChI=1/C34H26N4O16S4.4Na/c1-15-7-17(3-5-23(15)35-37-31-27(57(49,50)51)11-19-9-21(55(43,44)45)13-25(39)29(19)33(31)41)18-4-6-24(16(2)8-18)36-38-32-28(58(52,53)54)12-20-10-22(56(46,47)48)14-26(40)30(20)34(32)42;;;;/h3-14,39-42H,1-2H3,(H,43,44,45)(H,46,47,48)(H,49,50,51)(H,52,53,54);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C=1C=C(O)C2=C(O)C(N=NC3=CC=C(C=C3C)C4=CC=C(N=NC=5C(O)=C6C(O)=CC(=CC6=CC5S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C4)C)=C(C=C2C1)S(=O)(=O)[O-]


name: 2-Anthracenesulfonic acid, 4,8-diamino-9,10-dihydro-1,5-dihydroxy-9,10-dioxo-, monosodium salt
cas: 2150-60-9
chemspiderid: 15667
dtxsid: DTXSID5062211
formula: C14H10N2O7S1
inchikey: CKMPIIPZKJISCU-UHFFFAOYSA-M
norman_susdat_id: NS00020603
pubchem_cid: 101650313
smiles: [Na+].Nc1ccc(O)c2c1C(=O)c1c(O)c(cc(N)c1C2=O)S(=O)(=O)[O-]
inchi:
InChI=1S/C14H10N2O7S/c15-4-1-2-6(17)10-8(4)14(20)11-9(13(10)19)5(16)3-7(12(11)18)24(21,22)23/h1-3,17-18H,15-16H2,(H,21,22,23)


cas: 21509-92-2
chemspiderid: 80088
dtxsid: DTXSID4066705
formula: C17H44N10O1
inchikey: CJHLBUPFEOHCOQ-UHFFFAOYSA-N
norman_susdat_id: NS00026888
pubchem_cid: 88930
smiles: NCCNCCNCCNCCNC(=O)NCCNCCNCCNCCN
name:
2,5,8,11-Tetraazatridecanamide, 13-amino-N-[2-[[2-[[2-[(2-aminoethyl)amino]ethyl]amino]ethyl]amino]ethyl]-

inchi:
InChI=1S/C17H44N10O/c18-1-3-20-5-7-22-9-11-24-13-15-26-17(28)27-16-14-25-12-10-23-8-6-21-4-2-19/h20-25H,1-16,18-19H2,(H2,26,27,28)


name: (3β)-25,26,26,26,27,27,27-Heptafluoro-3-hydroxycholest-5-en-7-one
cas: 215094-37-4
dtxsid: DTXSID60897498
formula: C27H37F7O2
inchikey: LDVSGKIVBVZGFK-ZYHFYXLJSA-N
norman_susdat_id: NS00111177
inchi:
InChI=1S/C27H37F7O2/c1-15(5-4-10-25(28,26(29,30)31)27(32,33)34)18-6-7-19-22-20(9-12-24(18,19)3)23(2)11-8-17(35)13-16(23)14-21(22)36/h14-15,17-20,22,35H,4-13H2,1-3H3/t15-,17+,18-,19+,20+,22+,23+,24-/m1/s1

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


name: 4,4'-carbonimidoylbis[N-methyl-o-toluidine] monohydrochloride
cas: 2151-60-2
dtxsid: DTXSID60175849
formula: C17H21N3
inchikey: DTJAPYHTDACJJX-UHFFFAOYSA-N
norman_susdat_id: NS00049185
pubchem_cid: 3393607
smiles: Cl.N=C(C1=CC=C(NC)C(=C1)C)C2=CC=C(NC)C(=C2)C
inchi:
InChI=1/C17H21N3.ClH/c1-11-9-13(5-7-15(11)19-3)17(18)14-6-8-16(20-4)12(2)10-14;/h5-10,18-20H,1-4H3;1H


name: Geraldol
cas: 21511-25-1
chemspiderid: 4587756
dtxsid: DTXSID30175851
formula: C16H12O6
inchikey: WRFQRUBJBPLPAM-UHFFFAOYSA-N
norman_susdat_id: NS00026890
pubchem_cid: 5482101
smiles: COc1c(O)ccc(c1)c1c(O)c(=O)c2c(o1)cc(O)cc2
inchi:
InChI=1S/C16H12O6/c1-21-13-6-8(2-5-11(13)18)16-15(20)14(19)10-4-3-9(17)7-12(10)22-16/h2-7,17-18,20H,1H3


name: Sodium ethyl 2-(2,4,5,7-tetrabromo-6-oxido-3-oxo-3H-xanthen-9-yl)benzoate
cas: 21514-87-4
formula: C22H12Br4O5.Na
inchikey: HYPSDNMOKVQICX-UHFFFAOYSA-M
norman_susdat_id: NS00084221
smiles: CCOC(=O)c1ccccc1C2=C3C=C(Br)C(=O)C(=C3Oc4c(Br)c(O[Na])c(Br)cc24)Br
inchi:
InChI=1/C22H12Br4O5.Na/c1-2-30-22(29)10-6-4-3-5-9(10)15-11-7-13(23)18(27)16(25)20(11)31-21-12(15)8-14(24)19(28)17(21)26;/h3-8,27H,2H2,1H3;/q;+1/p-1


name: Niflumic acid met 12 -298
cas: 215182-89-1
chemspiderid: NA
formula: C13H9F3N2O3
inchikey: ZAGQWSKOUIVXPS-UHFFFAOYSA-N
norman_susdat_id: NS00000831
pubchem_cid: NA
smiles: FC(F)(C1=CC(CC(Nc2ncccc2C(O)=O)=C1)=O)F
inchi:
InChI=1S/C13H9F3N2O3/c14-13(15,16)7-4-8(6-9(19)5-7)18-11-10(12(20)21)2-1-3-17-11/h1-5H,6H2,(H,17,18)(H,20,21)


name: Tris(3,3,4,4,5,5,6,6,6-nonafluorohexyl)(prop-2-en-1-yl)stannane
cas: 215186-99-5
dtxsid: DTXSID60583708
formula: C21H17F27Sn
inchi: InChI=1S/3C6H4F9.C3H5.Sn/c3*1-2-3(7,8)4(9,10)5(11,12)6(13,14)15;1-3-2;/h3*1-2H2;3H,1-2H2;
inchikey: TXGLPKAFRITSKI-UHFFFAOYSA-N
norman_susdat_id: NS00110899
smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)CC[Sn](CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC=C


name: 2,4-dihydro-2-(3-hydroxyphenyl)-5-methyl-4-[[4-(phenylazo)phenyl]azo]-3H-pyrazol-3-one
cas: 21519-06-2
dtxsid: DTXSID90864996
formula: C22H18N6O2
inchikey: MGLMOTGKYYVGOK-UHFFFAOYSA-N
norman_susdat_id: NS00049816
pubchem_cid: 89506
smiles: O=C1N(N=C(C)C1N=NC2=CC=C(N=NC=3C=CC=CC3)C=C2)C=4C=CC=C(O)C4
inchi:
InChI=1/C22H18N6O2/c1-15-21(22(30)28(27-15)19-8-5-9-20(29)14-19)26-25-18-12-10-17(11-13-18)24-23-16-6-3-2-4-7-16/h2-14,21,29H,1H3


name: Betamethasone valerate
cas: 2152-44-5
chebiid: CHEBI:31277
chemspiderid: 15673
dtxsid: DTXSID7022673
formula: C27H37F1O6
inchikey: SNHRLVCMMWUAJD-SUYDQAKGSA-N
norman_susdat_id: NS00006017
pubchem_cid: 16533
smiles: CCCCC(=O)O[C@@]1([C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]12C)C(=O)CO
inchi:
InChI=1S/C27H37FO6/c1-5-6-7-23(33)34-27(22(32)15-29)16(2)12-20-19-9-8-17-13-18(30)10-11-24(17,3)26(19,28)21(31)14-25(20,27)4/h10-11,13,16,19-21,29,31H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1


cas: 2152-64-9
chebiid: CHEBI:86483
dtxsid: DTXSID3027457
formula: C37H29N3
inchikey: JMCKWTQLJNQCTD-UHFFFAOYSA-N
norman_susdat_id: NS00049900
pubchem_cid: 16535
smiles: Cl.N(C=1C=CC=CC1)=C2C=CC(C=C2)=C(C3=CC=C(C=C3)NC=4C=CC=CC4)C5=CC=C(C=C5)NC=6C=CC=CC6
name:
N-phenyl-4-[[4-(phenylamino)phenyl][4-(phenylimino)cyclohexa-2,5-dien-1-ylidene]methyl]aniline monohydrochloride

inchi:
InChI=1/C37H29N3.ClH/c1-4-10-31(11-5-1)38-34-22-16-28(17-23-34)37(29-18-24-35(25-19-29)39-32-12-6-2-7-13-32)30-20-26-36(27-21-30)40-33-14-8-3-9-15-33;/h1-27,38-39H;1H


name: Glucosamine 1-phosphate
cas: 2152-75-2
chebiid: CHEBI:27625
dtxsid: DTXSID70175855
formula: C6H14NO8P
inchikey: YMJBYRVFGYXULK-QZABAPFNSA-N
norman_susdat_id: NS00069799
pubchem_cid: 188960
smiles: N[C@H]1[C@@H](OP(=O)(O)O)O[C@H](CO)[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1


name: [1,1'-Biphenyl]-4-ol, 3-(phenylazo)-
cas: 21524-23-2
chemspiderid: 4588354
dtxsid: DTXSID9066706
formula: C18H14N2O1
inchikey: DGAHOTBNVZXWOG-UHFFFAOYSA-N
norman_susdat_id: NS00026892
pubchem_cid: NA
smiles: Oc1c(cc(cc1)c1ccccc1)N=Nc1ccccc1
inchi:
InChI=1S/C18H14N2O/c21-18-12-11-15(14-7-3-1-4-8-14)13-17(18)20-19-16-9-5-2-6-10-16/h1-13,21H/b20-19+


name: N-(2-aminoethyl)-3-hydroxynaphthalene-2-carboxamide hydrochloride
cas: 21528-11-0
formula: C13H14N2O2.xClH
inchikey: WDFFQRAFNDJCBR-UHFFFAOYSA-N
norman_susdat_id: NS00084234
smiles: Cl.NCCNC(=O)c1cc2ccccc2cc1O
inchi:
InChI=1/C13H14N2O2.ClH/c14-5-6-15-13(17)11-7-9-3-1-2-4-10(9)8-12(11)16;/h1-4,7-8,16H,5-6,14H2,(H,15,17);1H


name: 2,5-Diethoxy-4-(morpholin-4-yl)benzenediazonium
cas: 21528-13-2
chemspiderid: 70329
dtxsid: DTXSID20175865
formula: C14H20N3O3
inchikey: HRWJUSVKPYSOSI-UHFFFAOYSA-N
norman_susdat_id: NS00026893
pubchem_cid: 77939
smiles: CCOc1cc([N+]#N)c(OCC)cc1N1CCOCC1
inchi:
InChI=1S/C14H20N3O3/c1-3-19-13-10-12(17-5-7-18-8-6-17)14(20-4-2)9-11(13)16-15/h9-10H,3-8H2,1-2H3/q+1


name: Mianserin hydrochloride
cas: 21535-47-7
chebiid: CHEBI:31843
formula: C18H20N2.ClH
inchikey: YNPFMWCWRVTGKJ-UHFFFAOYSA-N
norman_susdat_id: NS00084235
smiles: Cl.CN1CCN2C(C1)c3ccccc3Cc4ccccc24
inchi:
InChI=1/C18H20N2.ClH/c1-19-10-11-20-17-9-5-3-7-15(17)12-14-6-2-4-8-16(14)18(20)13-19;/h2-9,18H,10-13H2,1H3;1H


name: Sodium N-methyl-N-(1-oxotetradecyl)-ß-alaninate
cas: 21539-72-0
dtxsid: DTXSID70944149
formula: C18H35NO3
inchikey: ISONEALTCIBOKV-UHFFFAOYSA-M
norman_susdat_id: NS00050318
pubchem_cid: 18427123
smiles: [Na+].O=C([O-])CCN(C(=O)CCCCCCCCCCCCC)C
inchi:
InChI=1/C18H35NO3.Na/c1-3-4-5-6-7-8-9-10-11-12-13-14-17(20)19(2)16-15-18(21)22;/h3-16H2,1-2H3,(H,21,22);/q;+1/p-1


name: 2-[2-[2-(oxiranylmethoxy)ethoxy]ethyl]spiro[1,3-dioxane-5,3'-[7]oxabicyclo[4.1.0]heptane]
cas: 2155-38-6
dtxsid: DTXSID60944158
formula: C16H26O6
inchikey: AGKSHJVVKNWHOO-UHFFFAOYSA-N
norman_susdat_id: NS00048566
pubchem_cid: 102759
smiles: O(CCOCC1OC1)CCC2OCC3(CO2)CCC4OC4C3
inchi:
InChI=1/C16H26O6/c1-3-16(7-14-13(1)22-14)10-20-15(21-11-16)2-4-17-5-6-18-8-12-9-19-12/h12-15H,1-11H2


name: Tributyl(methacryloyloxy)stannane
cas: 2155-70-6
dtxsid: DTXSID9035204
formula: C16H32O2Sn
inchikey: LPUCKLOWOWADAC-UHFFFAOYSA-M
norman_susdat_id: NS00048567
pubchem_cid: NA
smiles: O=C(O[Sn](CCCC)(CCCC)CCCC)C(=C)C
inchi:
InChI=1/C4H6O2.3C4H9.Sn/c1-3(2)4(5)6;3*1-3-4-2;/h1H2,2H3,(H,5,6);3*1,3-4H2,2H3;/q;;;;+1/p-1/rC16H32O2Sn/c1-6-9-12-19(13-10-7-2,14-11-8-3)18-16(17)15(4)5/h4,6-14H2,1-3,5H3


name: Antimony tributanolate
cas: 2155-74-0
formula: C4H10O.1/3Sb
inchikey: FKPOCJOSJZBAGD-UHFFFAOYSA-N
norman_susdat_id: NS00083530
smiles: [SbH3+3].CCCC[O-].CCCC[O-].CCCC[O-]
inchi:
InChI=1/3C4H9O.Sb.3H/c3*1-2-3-4-5;;;;/h3*2-4H2,1H3;;;;/q3*-1;+3;;;/r3C4H9O.H3Sb/c3*1-2-3-4-5;/h3*2-4H2,1H3;1H3/q3*-1;+3


name: Antimony tris(2-ethylhexanoate)
cas: 2155-81-9
formula: C8H16O2.1/3Sb
inchikey: PTAKQGJHRNGCOQ-UHFFFAOYSA-K
norman_susdat_id: NS00083882
smiles: [SbH3+3].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-]
inchi:
InChI=1/3C8H16O2.Sb.3H/c3*1-3-5-6-7(4-2)8(9)10;;;;/h3*7H,3-6H2,1-2H3,(H,9,10);;;;/q;;;+3;;;/p-3/r3C8H16O2.H3Sb/c3*1-3-5-6-7(4-2)8(9)10;/h3*7H,3-6H2,1-2H3,(H,9,10);1H3/q;;;+3/p-3


name: Pirifibrate hydrochloride
cas: 21550-30-1
chemspiderid: 140593
dtxsid: DTXSID40175887
formula: C17H18Cl1N1O4
inchikey: XVHPKZBGSLSNOT-UHFFFAOYSA-N
norman_susdat_id: NS00026898
pubchem_cid: 91980976
smiles: [Cl-].CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc1cccc(CO)n1.[H+]
inchi:
InChI=1S/C17H18ClNO4/c1-17(2,23-15-8-6-12(18)7-9-15)16(21)22-11-14-5-3-4-13(10-20)19-14/h3-9,20H,10-11H2,1-2H3


name: 8-Amino-9,10-dihydro-9,10-dioxoanthracenesulphonic acid
cas: 21552-84-1
chemspiderid: 80255
dtxsid: DTXSID00175888
formula: C14H9N1O5S1
inchikey: UEZJOQCWOFDUOR-UHFFFAOYSA-N
norman_susdat_id: NS00026899
pubchem_cid: 88943
smiles: Nc1cccc2c1C(=O)c1c(cccc1S(=O)(=O)O)C2=O
inchi:
InChI=1S/C14H9NO5S/c15-9-5-1-3-7-11(9)14(17)12-8(13(7)16)4-2-6-10(12)21(18,19)20/h1-6H,15H2,(H,18,19,20)


name: su5402
cas: 215543-92-3
dtxsid: DTXSID90415361
formula: C17H16N2O3
inchikey: JNDVEAXZWJIOKB-JYRVWZFOSA-N
norman_susdat_id: NS00069276
pubchem_cid: 5289418
smiles: Cc1c[nH]c(/C=C2C(=O)Nc3ccccc32)c1CCC(=O)O
inchi:
InChI=1S/C17H16N2O3/c1-10-9-18-15(11(10)6-7-16(20)21)8-13-12-4-2-3-5-14(12)19-17(13)22/h2-5,8-9,18H,6-7H2,1H3,(H,19,22)(H,20,21)/b13-8-


name: Benproperine
cas: 2156-27-6
chebiid: CHEBI:94380
chemspiderid: 2236
dtxsid: DTXSID10862853
formula: C21H27N1O1
inchikey: JTUQXGZRVLWBCR-UHFFFAOYSA-N
norman_susdat_id: NS00000607
pubchem_cid: 2326
smiles: CC(COC1=CC=CC=C1CC2=CC=CC=C2)N3CCCCC3
inchi:
InChI=1S/C21H27NO/c1-18(22-14-8-3-9-15-22)17-23-21-13-7-6-12-20(21)16-19-10-4-2-5-11-19/h2,4-7,10-13,18H,3,8-9,14-17H2,1H3


cas: 215612-56-9
inchikey: ZJXMPGWEPZPNRN-UHFFFAOYSA-K
norman_susdat_id: NS00078560
name:
trisodium 3-[2-acetylamino-4-[4-chloro-6-[4-(2-sulfonatoxyethylsulfonyl)phenylamino]-1,3,5-triazine-2-ylamino]phenylazo]naphthalene-1,5-disulfonate

smiles:
C(C)(=O)NC1=C(C=CC(=C1)NC1=NC(=NC(=N1)Cl)NC1=CC=C(C=C1)S(=O)(=O)CCOS(=O)(=O)[O-])N=NC=1C=C(C=2C=CC=C(C2C1)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]


cas: 21563-97-3
formula: C37H37N2O6S2
inchikey: VUXVWHOCQSLYRN-UHFFFAOYSA-N
norman_susdat_id: NS00049769
pubchem_cid: 62499
name:
(benzyl)[4-[[4-[(benzyl)ethylammonio]phenyl](2,4-disulphonatophenyl)methylene]cyclohexa-2,5-dien-1-ylidene](ethyl)ammonium

inchi:
InChI=1/C37H36N2O6S2/c1-3-38(26-28-11-7-5-8-12-28)32-19-15-30(16-20-32)37(35-24-23-34(46(40,41)42)25-36(35)47(43,44)45)31-17-21-33(22-18-31)39(4-2)27-29-13-9-6-10-14-29/h5-25H,3-4,26-27H2,1-2H3,(H-,40,41,42,43,44,45)

smiles:
O=S(=O)([O-])C1=CC=C(C(=C1)S(=O)(=O)[O-])C(=C2C=CC(C=C2)=[N+](CC=3C=CC=CC3)CC)C4=CC=C(C=C4)[NH+](CC=5C=CC=CC5)CC


name: N-(2,4-Dinitrophenyl)-2,4,6-trinitroaniline
cas: 21565-22-0
chemspiderid: 80099
dtxsid: DTXSID00175909
formula: C12H6N6O10
inchikey: VSGCEWSTFLCCNI-UHFFFAOYSA-N
norman_susdat_id: NS00026902
pubchem_cid: 88946
smiles: [O-][N+](=O)c1cc(c(Nc2c(cc(cc2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])cc1)[N+](=O)[O-]
inchi:
InChI=1S/C12H6N6O10/c19-14(20)6-1-2-8(9(3-6)16(23)24)13-12-10(17(25)26)4-7(15(21)22)5-11(12)18(27)28/h1-5,13H


name: tert-Butyl {2-[2-amino-4-(trifluoromethyl)anilino]ethyl}carbamate
cas: 215655-42-8
chemspiderid: 2053853
dtxsid: DTXSID60378459
formula: C14H20F3N3O2
inchikey: LBPALYCQELHDIC-UHFFFAOYSA-N
norman_susdat_id: NS00018452
pubchem_cid: 2773437
smiles: CC(C)(C)OC(=O)NCCNC1=C(C=C(C=C1)C(F)(F)F)N
inchi:
InChI=1S/C14H20F3N3O2/c1-13(2,3)22-12(21)20-7-6-19-11-5-4-9(8-10(11)18)14(15,16)17/h4-5,8,19H,6-7,18H2,1-3H3,(H,20,21)


name: Dodecyl hydrogen phthalate
cas: 21577-80-0
formula: C20H30O4
inchikey: WGQVJOPQTOUKDI-UHFFFAOYSA-N
norman_susdat_id: NS00050320
pubchem_cid: 88948
smiles: O=C(O)C=1C=CC=CC1C(=O)OCCCCCCCCCCCC
inchi:
InChI=1/C20H30O4/c1-2-3-4-5-6-7-8-9-10-13-16-24-20(23)18-15-12-11-14-17(18)19(21)22/h11-12,14-15H,2-10,13,16H2,1H3,(H,21,22)


name: 2-Ethoxyethyl N-(7-hydroxynaphth-1-yl)carbamate
cas: 21578-97-2
chemspiderid: 80262
dtxsid: DTXSID3066714
formula: C15H17N1O4
inchikey: WYRNZOUEDQCVFD-UHFFFAOYSA-N
norman_susdat_id: NS00026908
pubchem_cid: 88950
smiles: CCOCCOC(=O)Nc1cccc2ccc(O)cc12
inchi:
InChI=1S/C15H17NO4/c1-2-19-8-9-20-15(18)16-14-5-3-4-11-6-7-12(17)10-13(11)14/h3-7,10,17H,2,8-9H2,1H3,(H,16,18)


name: 1-Piperazineethanol, alpha,alpha-diphenyl-4-methyl-
cas: 21579-78-2
chemspiderid: 80263
dtxsid: DTXSID00175929
formula: C19H24N2O1
inchikey: BNYKNAMROLCQRS-UHFFFAOYSA-N
norman_susdat_id: NS00026909
pubchem_cid: 88951
smiles: CN1CCN(CC(O)(c2ccccc2)c2ccccc2)CC1
inchi:
InChI=1S/C19H24N2O/c1-20-12-14-21(15-13-20)16-19(22,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,22H,12-16H2,1H3


name: Octadecylurea
cas: 2158-08-9
dtxsid: DTXSID9062221
formula: C19H40N2O
inchikey: GJNDMSSZEBNLPU-UHFFFAOYSA-N
norman_susdat_id: NS00049193
pubchem_cid: 75090
smiles: O=C(N)NCCCCCCCCCCCCCCCCCC
inchi:
InChI=1/C19H40N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-19(20)22/h2-18H2,1H3,(H3,20,21,22)


name: 2-[[[4-(dimethylamino)phenyl]imino]methyl]-1-ethylquinolinium iodide
cas: 21584-04-3
dtxsid: DTXSID00944192
formula: C20H22N3
inchikey: KVJKLJUBTXOKEC-UHFFFAOYSA-M
norman_susdat_id: NS00050335
pubchem_cid: 16205014
smiles: [I-].N(=CC=1C=CC=2C=CC=CC2[N+]1CC)C3=CC=C(C=C3)N(C)C
inchi:
InChI=1/C20H22N3.HI/c1-4-23-19(12-9-16-7-5-6-8-20(16)23)15-21-17-10-13-18(14-11-17)22(2)3;/h5-15H,4H2,1-3H3;1H/q+1;/p-1


name: 5-(3-ethylbenzothiazol-2(3H)-ylidene)-4-oxo-2-thioxothiazolidin-3-ethanesulphonic acid
cas: 21584-13-4
formula: C14H14N2O4S4
inchikey: GGHDIYKCZSGHKB-UHFFFAOYSA-N
norman_susdat_id: NS00049771
pubchem_cid: 89520
smiles: O=C1C(SC(=S)N1CCS(=O)(=O)O)=C2SC=3C=CC=CC3N2CC
inchi:
InChI=1/C14H14N2O4S4/c1-2-15-9-5-3-4-6-10(9)22-13(15)11-12(17)16(14(21)23-11)7-8-24(18,19)20/h3-6H,2,7-8H2,1H3,(H,18,19,20)


name: 2,4,8,10-Tetraoxaspiro[5.5]undecane-3,9-dipropanamine
cas: 21587-74-6
chemspiderid: 80268
dtxsid: DTXSID8066715
formula: C13H26N2O4
inchikey: ANOPCGQVRXJHHD-UHFFFAOYSA-N
norman_susdat_id: NS00026912
pubchem_cid: 88957
smiles: NCCCC1OCC2(CO1)COC(CCCN)OC2
inchi:
InChI=1S/C13H26N2O4/c14-5-1-3-11-16-7-13(8-17-11)9-18-12(19-10-13)4-2-6-15/h11-12H,1-10,14-15H2/t11-,12-,13-/m0/s1


name: Omidoline
cas: 21590-91-0
formula: C22H27N3O2
inchikey: OSRMGAHKSUHZOH-UHFFFAOYSA-N
norman_susdat_id: NS00049772
pubchem_cid: 65699
smiles: O=C1C=2C=CC=CC2C(NC3=CC=C(OCCN4CCCCC4)C=C3)N1C
inchi:
InChI=1/C22H27N3O2/c1-24-21(19-7-3-4-8-20(19)22(24)26)23-17-9-11-18(12-10-17)27-16-15-25-13-5-2-6-14-25/h3-4,7-12,21,23H,2,5-6,13-16H2,1H3


name: Etomidoline
cas: 21590-92-1
chebiid: CHEBI:31584
dtxsid: DTXSID4048800
formula: C23H29N3O2
inchikey: ITIONVBQFUNVJV-UHFFFAOYSA-N
norman_susdat_id: NS00050324
pubchem_cid: 3309
smiles: O=C1C=2C=CC=CC2C(NC3=CC=C(OCCN4CCCCC4)C=C3)N1CC
inchi:
InChI=1/C23H29N3O2/c1-2-26-22(20-8-4-5-9-21(20)23(26)27)24-18-10-12-19(13-11-18)28-17-16-25-14-6-3-7-15-25/h4-5,8-13,22,24H,2-3,6-7,14-17H2,1H3


name: N-{2-[(phenylcarbamoyl)amino]phenyl}benzenesulfonamide
cas: 215917-77-4
chemspiderid: 8220047
formula: C19H17N3O3S1
inchikey: BGLZECVIKIGPIF-UHFFFAOYSA-N
norman_susdat_id: NS00003704
pubchem_cid: 10044483
smiles: O=C(Nc1ccccc1)Nc1ccccc1NS(=O)(=O)c1ccccc1
inchi:
InChI=1S/C19H17N3O3S/c23-19(20-15-9-3-1-4-10-15)21-17-13-7-8-14-18(17)22-26(24,25)16-11-5-2-6-12-16/h1-14,22H,(H2,20,21,23)


name: Cephapirin
cas: 21593-23-7
chemspiderid: 2517
dtxsid: DTXSID9022784
formula: C17H17N3O6S2
inchikey: UQLLWWBDSUHNEB-UHFFFAOYSA-N
norman_susdat_id: NS00003470
pubchem_cid: 2616
smiles: CC(=O)OCC1=C(N2C(SC1)C(NC(=O)CSc1ccncc1)C2=O)C(O)=O
inchi:
InChI=1S/C17H17N3O6S2/c1-9(21)26-6-10-7-28-16-13(15(23)20(16)14(10)17(24)25)19-12(22)8-27-11-2-4-18-5-3-11/h2-5,13,16H,6-8H2,1H3,(H,19,22)(H,24,25)


name: Barium(2+) 12-hydroxyoctadecanoate
cas: 21598-22-1
formula: C18H36O3.1/2Ba
inchikey: LHCFNZQTNGWZED-UHFFFAOYSA-L
norman_susdat_id: NS00083865
smiles: [Ba+2].CCCCCCC(O)CCCCCCCCCCC(=O)[O-].CCCCCCC(O)CCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H36O3.Ba/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*17,19H,2-16H2,1H3,(H,20,21);/q;;+2/p-2


name: Lead, bis(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-βO,βO')-, (T-4)- (9CI)
cas: 21600-78-2
dtxsid: DTXSID30897480
formula: C20H20F14O4Pb
inchikey: LUJAMSUEXKCMDE-SJGYQHGCSA-L
norman_susdat_id: NS00110153
smiles: [Pb++].CC(C)(C)C([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C([O-])=CC(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/2C10H11F7O2.Pb/c2*1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h2*4,18H,1-3H3;/q;;+2/p-2/b2*5-4-;


name: 1H,1H-Perfluorohexadecan-1-ol
cas: 216144-94-4
chemspiderid: 2062351
dtxsid: DTXSID80381965
formula: C16H3F31O1
inchikey: KOOXQXFAIXTUHZ-UHFFFAOYSA-N
norman_susdat_id: NS00018851
pubchem_cid: 2782186
inchi:
InChI=1S/C16H3F31O/c17-2(18,1-48)3(19,20)4(21,22)5(23,24)6(25,26)7(27,28)8(29,30)9(31,32)10(33,34)11(35,36)12(37,38)13(39,40)14(41,42)15(43,44)16(45,46)47/h48H,1H2

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


name: Acetamide, N-[3-[bis(2-hydroxyethyl)amino]-4-ethoxyphenyl]-
cas: 21615-29-2
chemspiderid: 28497
dtxsid: DTXSID8066717
formula: C14H22N2O4
inchikey: NYYMEJVPXASCKD-UHFFFAOYSA-N
norman_susdat_id: NS00026917
pubchem_cid: 30710
smiles: CCOc1c(cc(NC(=O)C)cc1)N(CCO)CCO
inchi:
InChI=1S/C14H22N2O4/c1-3-20-14-5-4-12(15-11(2)19)10-13(14)16(6-8-17)7-9-18/h4-5,10,17-18H,3,6-9H2,1-2H3,(H,15,19)


name: [[5-(acetylamino)-4-[(2-bromo-4,6-dinitrophenyl)azo]-2-ethoxyphenyl]imino]diethylene dibutyrate
cas: 21615-32-7
formula: C20H21BrN6O6
inchikey: FQQJSWWSKXXZAV-UHFFFAOYSA-N
norman_susdat_id: NS00051127
pubchem_cid: NA
smiles: O=C(O)CCC.O=C(O)CCC.O=C(NC=1C=C(C(OCC)=CC1N=NC2=C(Br)C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])N(C=C)C=C)C
inchi:
InChI=1/C20H19BrN6O6.2C4H8O2/c1-5-25(6-2)17-10-15(22-12(4)28)16(11-19(17)33-7-3)23-24-20-14(21)8-13(26(29)30)9-18(20)27(31)32;2*1-2-3-4(5)6/h5-6,8-11H,1-2,7H2,3-4H3,(H,22,28);2*2-3H2,1H3,(H,5,6)


name: Succinobucol
cas: 216167-82-7
dtxsid: DTXSID10176003
formula: C35H52O5S2
inchikey: RKSMVPNZHBRNNS-UHFFFAOYSA-N
norman_susdat_id: NS00069612
pubchem_cid: 216325
smiles: CC(C)(Sc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)Sc1cc(C(C)(C)C)c(OC(=O)CCC(=O)O)c(C(C)(C)C)c1
inchi:
InChI=1S/C35H52O5S2/c1-31(2,3)23-17-21(18-24(29(23)39)32(4,5)6)41-35(13,14)42-22-19-25(33(7,8)9)30(26(20-22)34(10,11)12)40-28(38)16-15-27(36)37/h17-20,39H,15-16H2,1-14H3,(H,36,37)


name: Clostebol propionate
cas: 2162-44-9
dtxsid: DTXSID70176009
formula: C22H31ClO3
inchikey: WNUBDFJMQBMNQB-DXODLALXSA-N
norman_susdat_id: NS00067962
smiles: CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=C(Cl)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C
inchi:
InChI=1S/C22H31ClO3/c1-4-19(25)26-18-8-7-14-13-5-6-16-20(23)17(24)10-12-21(16,2)15(13)9-11-22(14,18)3/h13-15,18H,4-12H2,1-3H3/t13-,14-,15-,18-,21+,22-/m0/s1


name: Methanone, [4-(decyloxy)-2-hydroxyphenyl]phenyl-
cas: 2162-63-2
chemspiderid: 92349
dtxsid: DTXSID4062224
formula: C23H30O3
inchikey: JQSSXIRDGUMPNP-UHFFFAOYSA-N
norman_susdat_id: NS00026923
pubchem_cid: 102218
smiles: CCCCCCCCCCOc1ccc(C(=O)c2ccccc2)c(O)c1
inchi:
InChI=1S/C23H30O3/c1-2-3-4-5-6-7-8-12-17-26-20-15-16-21(22(24)18-20)23(25)19-13-10-9-11-14-19/h9-11,13-16,18,24H,2-8,12,17H2,1H3


name: Bis(2,6-diisopropylphenyl)carbodiimide
cas: 2162-74-5
chemspiderid: 67651
dtxsid: DTXSID5051862
formula: C25H34N2
inchikey: XLDBGFGREOMWSL-UHFFFAOYSA-N
norman_susdat_id: NS00007917
pubchem_cid: 75100
smiles: CC(C)c1cccc(C(C)C)c1N=C=Nc1c(cccc1C(C)C)C(C)C
inchi:
InChI=1S/C25H34N2/c1-16(2)20-11-9-12-21(17(3)4)24(20)26-15-27-25-22(18(5)6)13-10-14-23(25)19(7)8/h9-14,16-19H,1-8H3


cas: 216227-54-2
formula: C32H38N4O
inchikey: RSJCLODJSVZNQA-BQYQJAHWSA-N
norman_susdat_id: NS00068642
pubchem_cid: 6450807
smiles: CCOC/C=C/c1ccc(-c2nc(-c3ccc(NC(C)C)cc3)c(-c3ccc(NC(C)C)cc3)[nH]2)cc1
name:
4-{2-[4-(3-ethoxyprop-1-en-1-yl)phenyl]-4-{4-[(propan-2-yl)amino]phenyl}-1h-imidazol-5-yl}-n-(propan-2-yl)aniline

inchi:
InChI=1S/C32H38N4O/c1-6-37-21-7-8-24-9-11-27(12-10-24)32-35-30(25-13-17-28(18-14-25)33-22(2)3)31(36-32)26-15-19-29(20-16-26)34-23(4)5/h7-20,22-23,33-34H,6,21H2,1-5H3,(H,35,36)/b8-7+


name: N-(4-(4-Morpholinylsulphonyl)phenyl)acetamide
cas: 21626-69-7
chemspiderid: 80119
dtxsid: DTXSID20176014
formula: C12H16N2O4S1
inchikey: WSVGZFWJCRPWAG-UHFFFAOYSA-N
norman_susdat_id: NS00026924
pubchem_cid: 88976
smiles: CC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCOCC1
inchi:
InChI=1S/C12H16N2O4S/c1-10(15)13-11-2-4-12(5-3-11)19(16,17)14-6-8-18-9-7-14/h2-5H,6-9H2,1H3,(H,13,15)


name: 4-Hydroxy-3-(hydroxyimino)-4-(nonafluorobutyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
cas: 216307-12-9
dtxsid: DTXSID90896277
formula: C13H8F9N3O3
inchikey: VDTOPNQPAFVQGL-UHFFFAOYSA-N
norman_susdat_id: NS00112157
smiles: ON=C1C(=O)NC2=CC=CC=C2NC1(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1/C13H8F9N3O3/c14-10(15,11(16,17)12(18,19)13(20,21)22)9(27)7(25-28)8(26)23-5-3-1-2-4-6(5)24-9/h1-4,24,27-28H,(H,23,26)


name: Ethanol, 2-[(4-amino-5-methoxy-2-methylphenyl)sulfonyl]-, hydrogen sulfate (ester)
cas: 21635-69-8
chemspiderid: 80289
dtxsid: DTXSID8066719
formula: C10H15N1O7S2
inchikey: MRILAYPKVVWTRG-UHFFFAOYSA-N
norman_susdat_id: NS00026927
pubchem_cid: NA
smiles: COc1cc(c(C)cc1N)S(=O)(=O)CCOS(=O)(=O)O
inchi:
InChI=1S/C10H15NO7S2/c1-7-5-8(11)9(17-2)6-10(7)19(12,13)4-3-18-20(14,15)16/h5-6H,3-4,11H2,1-2H3,(H,14,15,16)


name: 2-(3,4-dihydroxyphenyl)-3-(ß-D-glucofuranosyloxy)-5,7-dihydroxy-4H-1-benzopyran-4-one
cas: 21637-25-2
chebiid: CHEBI:28299
dtxsid: DTXSID80904976
formula: C21H20O12
inchikey: OPJZLUXFQFQYAI-GNPVFZCLSA-N
norman_susdat_id: NS00050387
pubchem_cid: 5484006
smiles: O=C1C(OC2OC(C(O)CO)C(O)C2O)=C(OC=3C=C(O)C=C(O)C13)C=4C=CC(O)=C(O)C4
inchi:
InChI=1/C21H20O12/c22-6-12(27)19-16(29)17(30)21(32-19)33-20-15(28)14-11(26)4-8(23)5-13(14)31-18(20)7-1-2-9(24)10(25)3-7/h1-5,12,16-17,19,21-27,29-30H,6H2


name: 4,4,5,5,6,6,7,7,8,8,9,9,9-Tridecafluorononyl prop-2-enoate
cas: 216389-85-4
dtxsid: DTXSID10895707
formula: C12H9F13O2
inchikey: NNGYYMQQINPHJN-UHFFFAOYSA-N
norman_susdat_id: NS00109365
smiles: FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCCOC(=O)C=C
inchi:
InChI=1S/C12H9F13O2/c1-2-6(26)27-5-3-4-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h2H,1,3-5H2


name: Diphenyl pentylphosphonate
cas: 21645-07-8
dtxsid: DTXSID10610871
formula: C17H21O3P
inchikey: GRKDCROEGSBEOZ-UHFFFAOYSA-N
norman_susdat_id: NS00066535
pubchem_cid: 21115716
smiles: O=P(OC=1C=CC=CC1)(OC=2C=CC=CC2)CCCCC
inchi:
InChI=1/C17H21O3P/c1-2-3-10-15-21(18,19-16-11-6-4-7-12-16)20-17-13-8-5-9-14-17/h4-9,11-14H,2-3,10,15H2,1H3


name: N-acetyl-alpha-neuraminic acid
cas: 21646-00-4
chebiid: CHEBI:49026
chemspiderid: 392681
formula: C11H19N1O9
inchikey: SQVRNKJHWKZAKO-YRMXFSIDSA-N
norman_susdat_id: NS00015107
pubchem_cid: 444885
smiles: CC(=O)NC1C(CC(OC1C(C(CO)O)O)(C(=O)O)O)O
inchi:
InChI=1S/C11H19NO9/c1-4(14)12-7-5(15)2-11(20,10(18)19)21-9(7)8(17)6(16)3-13/h5-9,13,15-17,20H,2-3H2,1H3,(H,12,14)(H,18,19)/t5-,6+,7+,8+,9+,11+/m0/s1


name: 4,4-methylenebis(aniline), compound with sodium chloride (3:1)
cas: 21646-20-8
dtxsid: DTXSID80893492
formula: C39H42ClN6Na
inchikey: BMMAPAIDGHWULF-UHFFFAOYSA-M
norman_susdat_id: NS00113219
smiles: [Na]Cl.NC1=CC=C(CC2=CC=C(N)C=C2)C=C1.NC1=CC=C(CC2=CC=C(N)C=C2)C=C1.NC1=CC=C(CC2=CC=C(N)C=C2)C=C1
inchi:
InChI=1S/3C13H14N2.ClH.Na/c3*14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11;;/h3*1-8H,9,14-15H2;1H;/q;;;;+1/p-1


name: 3ß-hydroxy-5a-pregna-9(11),16-dien-20-one 3-acetate
cas: 21650-83-9
dtxsid: DTXSID30944246
formula: C23H32O3
inchikey: GBSGMSKNTLPLQF-FJLDFKITSA-N
norman_susdat_id: NS00051130
pubchem_cid: 11639002
smiles: O=C(OC1CCC2(C3=CCC4(C(=CCC4C3CCC2C1)C(=O)C)C)C)C
inchi:
InChI=1/C23H32O3/c1-14(24)19-7-8-20-18-6-5-16-13-17(26-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h7,10,16-18,20H,5-6,8-9,11-13H2,1-4H3


name: (Z)-N-methyl-N-(1-oxo-9-octadecenyl)glycine, compound with cyclohexylamine (1:1)
cas: 21651-22-9
formula: C21H39NO3.C6H13N
inchikey: HLWVIAJDQFRVMK-GMFCBQQYSA-N
norman_susdat_id: NS00084574
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)N(C)CC(=O)O.NC1CCCCC1
inchi:
InChI=1/C21H39NO3.C6H13N/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;7-6-4-2-1-3-5-6/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);6H,1-5,7H2


name: 10-Bromo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
cas: 21652-57-3
dtxsid: DTXSID30382003
formula: C10H4BrF17
inchikey: TWWJQNJBBMHHAO-UHFFFAOYSA-N
norman_susdat_id: NS00109862
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)CCBr
inchi:
InChI=1S/C10H4BrF17/c11-2-1-3(12,13)4(14,15)5(16,17)6(18,19)7(20,21)8(22,23)9(24,25)10(26,27)28/h1-2H2


name: (S)-5-(amidinoamino)-2-(benzoylamino)-N-(4-nitrophenyl)valeramide monohydrochloride
cas: 21653-40-7
formula: C19H22N6O4.ClH
inchikey: DEOKFPFLXFNAON-NTISSMGPSA-N
norman_susdat_id: NS00084587
smiles: Cl.NC(=N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc2ccc(cc2)[N+](=O)[O-]
inchi:
InChI=1/C19H22N6O4.ClH/c20-19(21)22-12-4-7-16(24-17(26)13-5-2-1-3-6-13)18(27)23-14-8-10-15(11-9-14)25(28)29;/h1-3,5-6,8-11,16H,4,7,12H2,(H,23,27)(H,24,26)(H4,20,21,22);1H


name: 3-(acetylmethylamino)-2,4,6-triiodo-5-[(methylamino)carbonyl]benzoic acid
cas: 21656-26-8
dtxsid: DTXSID40944257
formula: C12H11I3N2O4
inchikey: RSYPDFSNPVTGBJ-UHFFFAOYSA-N
norman_susdat_id: NS00051144
pubchem_cid: 88994
smiles: O=C(O)C=1C(I)=C(C(=O)NC)C(I)=C(C1I)N(C(=O)C)C
inchi:
InChI=1/C12H11I3N2O4/c1-4(18)17(3)10-8(14)5(11(19)16-2)7(13)6(9(10)15)12(20)21/h1-3H3,(H,16,19)(H,20,21)


name: (Z)-4,5-dihydro-2-(8-heptadecenyl)-1H-imidazole
cas: 21656-45-1
formula: C20H38N2
inchikey: VPROSGVVNDHJLC-KTKRTIGZSA-N
norman_susdat_id: NS00049859
pubchem_cid: 6436530
smiles: N1=C(NCC1)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C20H38N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-21-18-19-22-20/h9-10H,2-8,11-19H2,1H3,(H,21,22)


name: Sulfacecole
cas: 21662-79-3
chemspiderid: 155072
dtxsid: DTXSID90176046
formula: C14H17N3O5S1
inchikey: HZSKRKPZUQECIE-UHFFFAOYSA-N
norman_susdat_id: NS00005266
pubchem_cid: 178140
smiles: CCOCC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(C)on1
inchi:
InChI=1S/C14H17N3O5S/c1-3-21-9-14(18)15-11-4-6-12(7-5-11)23(19,20)17-13-8-10(2)22-16-13/h4-8H,3,9H2,1-2H3,(H,15,18)(H,16,17)


name: Hydroquinidine gluconate
cas: 21666-86-4
formula: C20H26N2O2.C6H12O7
inchikey: LFDHHWHDYXAPIG-LCYSNFERSA-N
norman_susdat_id: NS00084120
smiles: CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](O)c3ccnc4ccc(OC)cc34.OC[C@@H](O)[C@@H](O)[C@H](O)[C@@H](O)C(=O)O
inchi:
InChI=1/C20H26N2O2.C6H12O7/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;7-1-2(8)3(9)4(10)5(11)6(12)13/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;2-5,7-11H,1H2,(H,12,13)


cas: 216660-17-2
dtxsid: DTXSID90882736
norman_susdat_id: NS00112008
name:
Copolymer of tetrafluoroethylene-vinylacetate-vinyl alcohol (insoluble in water, acid and alkali, and the contents of component having molecular weight less than 1,000 is not more than 1%)


name: Amidosulfobetaine-14
cas: 216667-08-2
dtxsid: DTXSID50398742
formula: C22H46N2O4S
inchikey: UTSXERRKRAEDOV-UHFFFAOYSA-N
norman_susdat_id: NS00067039
smiles: CCCCCCCCCCCCCC(=O)NCCC[N+](C)(C)CCCS([O-])(=O)=O
inchi:
InChI=1S/C22H46N2O4S/c1-4-5-6-7-8-9-10-11-12-13-14-17-22(25)23-18-15-19-24(2,3)20-16-21-29(26,27)28/h4-21H2,1-3H3,(H-,23,25,26,27,28)


cas: 216698-07-6
chemspiderid: 135892
dtxsid: DTXSID70889127
formula: C32H44O4
inchikey: UHPDROGOQWZCNC-UHFFFAOYSA-N
norman_susdat_id: NS00009289
pubchem_cid: 154218
smiles: CC(=O)Oc1ccc(cc1C1C(=O)Oc2ccc(cc12)C(C)(C)CC(C)(C)C)C(C)(C)CC(C)(C)C
name:
2(3H)-Benzofuranone, 3-[2-(acetyloxy)-5-(1,1,3,3-tetramethylbutyl)phenyl]-5-(1,1,3,3-tetramethylbutyl)-

inchi:
InChI=1S/C32H44O4/c1-20(33)35-25-14-12-21(31(8,9)18-29(2,3)4)16-23(25)27-24-17-22(13-15-26(24)36-28(27)34)32(10,11)19-30(5,6)7/h12-17,27H,18-19H2,1-11H3


name: Bisphenol P
cas: 2167-51-3
chebiid: CHEBI:165197
chemspiderid: 547401
dtxsid: DTXSID0058693
formula: C24H26O2
inchikey: GIXXQTYGFOHYPT-UHFFFAOYSA-N
norman_susdat_id: NS00014632
pubchem_cid: 630355
smiles: CC(c1ccc(cc1)O)(c1ccc(cc1)C(c1ccc(cc1)O)(C)C)C
inchi:
InChI=1S/C24H26O2/c1-23(2,19-9-13-21(25)14-10-19)17-5-7-18(8-6-17)24(3,4)20-11-15-22(26)16-12-20/h5-16,25-26H,1-4H3


name: Pipazethate
cas: 2167-85-3
chebiid: CHEBI:135635
chemspiderid: 21046
dtxsid: DTXSID40176056
formula: C21H25N3O3S1
inchikey: DTVJXCOMJLLMAK-UHFFFAOYSA-N
norman_susdat_id: NS00001860
pubchem_cid: 22425
smiles: O=C(OCCOCCN1CCCCC1)N1c2ccccc2Sc2cccnc12
inchi:
InChI=1S/C21H25N3O3S/c25-21(27-16-15-26-14-13-23-11-4-1-5-12-23)24-17-7-2-3-8-18(17)28-19-9-6-10-22-20(19)24/h2-3,6-10H,1,4-5,11-16H2


name: 2,4,6-Tris(pentadecafluoroheptyl)-1,3,5-triazine
cas: 21674-38-4
chemspiderid: 479019
dtxsid: DTXSID20176059
formula: C24F45N3
inchikey: BFAUAMWYFFXWLX-UHFFFAOYSA-N
norman_susdat_id: NS00018852
pubchem_cid: 550641
inchi:
InChI=1S/C24F45N3/c25-4(26,7(31,32)10(37,38)13(43,44)16(49,50)19(55,56)22(61,62)63)1-70-2(5(27,28)8(33,34)11(39,40)14(45,46)17(51,52)20(57,58)23(64,65)66)72-3(71-1)6(29,30)9(35,36)12(41,42)15(47,48)18(53,54)21(59,60)24(67,68)69

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1=NC(=NC(=N1)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)F


name: N-[3-[bis(2-cyanoethyl)amino]phenyl]acetamide
cas: 21678-64-8
dtxsid: DTXSID70944280
formula: C14H16N4O
inchikey: WDZNAWTYQUZIPL-UHFFFAOYSA-N
norman_susdat_id: NS00050445
pubchem_cid: 89011
smiles: N#CCCN(C=1C=CC=C(C1)NC(=O)C)CCC#N
inchi:
InChI=1/C14H16N4O/c1-12(19)17-13-5-2-6-14(11-13)18(9-3-7-15)10-4-8-16/h2,5-6,11H,3-4,9-10H2,1H3,(H,17,19)


name: 2-fluoro-2'-deoxyadenosine
cas: 21679-12-9
chebiid: CHEBI:39723
dtxsid: DTXSID30944281
formula: C10H12FN5O3
inchikey: ZWPYUXAXLRFWQC-KVQBGUIXSA-N
norman_susdat_id: NS00070314
pubchem_cid: 447864
smiles: Nc1nc(F)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1
inchi:
InChI=1S/C10H12FN5O3/c11-10-14-8(12)7-9(15-10)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H2,12,14,15)/t4-,5+,6+/m0/s1


name: Fludarabine
cas: 21679-14-1
chebiid: CHEBI:94701
chemspiderid: 571392
dtxsid: DTXSID4039657
formula: C10H12F1N5O4
inchikey: HBUBKKRHXORPQB-FJFJXFQQSA-N
norman_susdat_id: NS00003718
pubchem_cid: 657237
smiles: Nc1nc(F)nc2n(cnc12)[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O
inchi:
InChI=1S/C10H12FN5O4/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(19)5(18)3(1-17)20-9/h2-3,5-6,9,17-19H,1H2,(H2,12,14,15)/t3-,5-,6+,9-/m1/s1


name: Chromium(III) 4-oxopent-2-ene-2-olate
cas: 21679-31-2
formula: C15H21CrO6
inchikey: SHQRRTUJPZFVPP-UHFFFAOYSA-N
norman_susdat_id: NS00084630
smiles: CC(=O)CC(=O)CO[Cr](OCC(=O)CC(=O)C)OCC(=O)CC(=O)C
inchi:
InChI=1/3C5H7O3.Cr/c3*1-4(7)2-5(8)3-6;/h3*2-3H2,1H3;/q3*-1;+3/rC15H21CrO9/c1-10(17)4-13(20)7-23-16(24-8-14(21)5-11(2)18)25-9-15(22)6-12(3)19/h4-9H2,1-3H3


name: Tris(pentane-2,4-dionato-O,O')cobalt
cas: 21679-46-9
formula: C15H21CoO6
inchikey: CSDAQTNLKZUCBK-UHFFFAOYSA-N
norman_susdat_id: NS00084631
smiles: CC(=O)C([Co](C(C(=O)C)C(=O)C)C(C(=O)C)C(=O)C)C(=O)C
inchi:
InChI=1/3C5H7O2.Co/c3*1-4(6)3-5(2)7;/h3*3H,1-2H3;/rC15H21CoO6/c1-7(17)13(8(2)18)16(14(9(3)19)10(4)20)15(11(5)21)12(6)22/h13-15H,1-6H3


name: 3,3,3-tris(p-chlorophenyl)propionic acid
cas: 2168-06-1
dtxsid: DTXSID30176065
formula: C21H15Cl3O2
inchikey: LHIVWYJOCNGZRI-UHFFFAOYSA-N
norman_susdat_id: NS00048658
pubchem_cid: 75107
smiles: O=C(O)CC(C1=CC=C(Cl)C=C1)(C2=CC=C(Cl)C=C2)C3=CC=C(Cl)C=C3
inchi:
InChI=1/C21H15Cl3O2/c22-17-7-1-14(2-8-17)21(13-20(25)26,15-3-9-18(23)10-4-15)16-5-11-19(24)12-6-16/h1-12H,13H2,(H,25,26)


name: 1,1'-Sulphinylbisdodecane
cas: 2168-96-9
chemspiderid: 67660
dtxsid: DTXSID40176071
formula: C24H50O1S1
inchikey: PZKDFFVFMXTDIP-UHFFFAOYSA-N
norman_susdat_id: NS00026938
pubchem_cid: 75109
smiles: CCCCCCCCCCCCS(=O)CCCCCCCCCCCC
inchi:
InChI=1S/C24H50OS/c1-3-5-7-9-11-13-15-17-19-21-23-26(25)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3


name: 3-(3-Methoxypropyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
cas: 216880-47-6
chemspiderid: 1694629
dtxsid: DTXSID10367434
formula: C12H14N2O2S1
inchikey: KMPHWZNAXDTNMH-UHFFFAOYSA-N
norman_susdat_id: NS00018692
pubchem_cid: 2266931
smiles: COCCCN1C(=O)C2=CC=CC=C2NC1=S
inchi:
InChI=1S/C12H14N2O2S/c1-16-8-4-7-14-11(15)9-5-2-3-6-10(9)13-12(14)17/h2-3,5-6H,4,7-8H2,1H3,(H,13,17)


name: 6-Azaribine
cas: 2169-64-4
chebiid: CHEBI:88272
chemspiderid: 15714
dtxsid: DTXSID1022635
formula: C14H17N3O9
inchikey: QQOBRRFOVWGIMD-OJAKKHQRSA-N
norman_susdat_id: NS00026940
pubchem_cid: 16574
smiles: CC(=O)OCC1OC(C(OC(=O)C)C1OC(=O)C)n1ncc(=O)[nH]c1=O
inchi:
InChI=1S/C14H17N3O9/c1-6(18)23-5-9-11(24-7(2)19)12(25-8(3)20)13(26-9)17-14(22)16-10(21)4-15-17/h4,9,11-13H,5H2,1-3H3,(H,16,21,22)/t9-,11-,12+,13+/m1/s1


name: Deptropine dihydrogen citrate
cas: 2169-75-7
chebiid: CHEBI:50190
formula: C23H27NO.C6H8O7
inchikey: CHQGYMXXKZPWOI-BWSPSPBFSA-N
norman_susdat_id: NS00083225
smiles: CN1[C@@H]2CC[C@H]1C[C@H](C2)OC3c4ccccc4CCc5ccccc35.OC(=O)CC(O)(CC(=O)O)C(=O)O
inchi:
InChI=1/C23H27NO.C6H8O7/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-9,18-20,23H,10-15H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)


name: Shyobunone
cas: 21698-44-2
chebiid: CHEBI:168444
chemspiderid: 4479090
formula: C15H24O
inchikey: GWHRSRIPLDHJHR-UHFFFAOYNA-N
norman_susdat_id: NS00067878
pubchem_cid: 5321293
inchi:
InChI=1S/C15H24O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12-13H,1,4,8-9H2,2-3,5-6H3/t12-,13+,15+/m0/s1


name: Benzo[c]picene
cas: 217-37-8
dtxsid: DTXSID10176083
formula: C26H16
inchikey: BBZGENAFADIERZ-UHFFFAOYSA-N
norman_susdat_id: NS00041478
pubchem_cid: 9168
smiles: C=1C=CC2=C(C1)C=CC3=C2C=CC=4C=5C=CC=6C=CC=CC6C5C=CC34
inchi:
InChI=1/C26H16/c1-3-7-19-17(5-1)9-11-23-21(19)13-15-26-24-12-10-18-6-2-4-8-20(18)22(24)14-16-25(23)26/h1-16H


name: 2-(2H-Benzotriazol-2-yl)-4-methyl-6-(2-propenyl)phenol
cas: 2170-39-0
chemspiderid: 642747
dtxsid: DTXSID70352806
formula: C16H15N3O1
inchikey: YKONWVIRECCMQE-UHFFFAOYSA-N
norman_susdat_id: NS00002821
pubchem_cid: 735573
smiles: Cc1cc(CC=C)c(O)c(c1)-n1nc2ccccc2n1
inchi:
InChI=1S/C16H15N3O/c1-3-6-12-9-11(2)10-15(16(12)20)19-17-13-7-4-5-8-14(13)18-19/h3-5,7-10,20H,1,6H2,2H3


name: (2,3-dihydro-1,4-benzodioxin-2-ylmethyl)[2-(2,6-dimethoxyphenoxy)ethyl]ammonium chloride
cas: 2170-58-3
chebiid: CHEBI:64094
dtxsid: DTXSID2042565
formula: C19H23NO5
inchikey: KAHMEWANVDFFCQ-UHFFFAOYSA-N
norman_susdat_id: NS00049268
pubchem_cid: 5685
smiles: [Cl-].O(C1=CC=CC(OC)=C1OCC[NH2+]CC2OC=3C=CC=CC3OC2)C
inchi:
InChI=1/C19H23NO5.ClH/c1-21-17-8-5-9-18(22-2)19(17)23-11-10-20-12-14-13-24-15-6-3-4-7-16(15)25-14;/h3-9,14,20H,10-13H2,1-2H3;1H


name: 2-Hydroxytryptophan
cas: 21704-80-3
chebiid: CHEBI:74690
dtxsid: DTXSID00951604
formula: C11H12N2O3
inchikey: VAUYGGXCASQWHK-QMMMGPOBSA-N
norman_susdat_id: NS00073199
pubchem_cid: 17754204
smiles: N[C@@H](Cc1c(O)[nH]c2ccccc12)C(=O)O
inchi:
InChI=1S/C11H12N2O3/c12-8(11(15)16)5-7-6-3-1-2-4-9(6)13-10(7)14/h1-4,8,13-14H,5,12H2,(H,15,16)/t8-/m0/s1


name: Hugorosenone
cas: 217096-49-6
chemspiderid: 9003529
formula: C20H30O2
inchikey: QPBXGHPGNJJSFO-UHFFFAOYNA-N
norman_susdat_id: NS00067917
pubchem_cid: 10828229
inchi:
InChI=1S/C20H30O2/c1-6-19(4)9-10-20(5)13(12-19)7-8-14-15(20)11-16(21)17(22)18(14,2)3/h6,11,13-14,17,22H,1,7-10,12H2,2-5H3/t13-,14-,17+,19-,20-/m1/s1


name: Etifoxine
cas: 21715-46-8
chebiid: CHEBI:135272
chemspiderid: 28547
formula: C17H17Cl1N2O1
inchikey: IBYCYJFUEJQSMK-UHFFFAOYSA-N
norman_susdat_id: NS00015410
pubchem_cid: 30768
smiles: CCNC1=NC2=C(C=C(C=C2)Cl)C(O1)(C)C3=CC=CC=C3
inchi:
InChI=1S/C17H17ClN2O/c1-3-19-16-20-15-10-9-13(18)11-14(15)17(2,21-16)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3,(H,19,20)


name: 5-chloro-N-[(1-ethyl-2-pyrrolidinyl)methyl]-3-methoxy-1H-indole-2-carboxamide hydrochloride
cas: 21716-65-4
dtxsid: DTXSID60944330
formula: C17H22ClN3O2
inchikey: MCQYZEDWEOECSJ-UHFFFAOYSA-N
norman_susdat_id: NS00051204
pubchem_cid: 3015111
smiles: Cl.O=C(NCC1N(CC)CCC1)C=2NC=3C=CC(Cl)=CC3C2OC
inchi:
InChI=1/C17H22ClN3O2.ClH/c1-3-21-8-4-5-12(21)10-19-17(22)15-16(23-2)13-9-11(18)6-7-14(13)20-15;/h6-7,9,12,20H,3-5,8,10H2,1-2H3,(H,19,22);1H


name: Dinaphtho[2,3-i:2',3'-i']benzo[1,2-a:4,5-a']dicarbazole-5,7,12,17,19,24(6H,18H)-hexone
cas: 2172-33-0
chemspiderid: 67664
dtxsid: DTXSID8062232
formula: C42H18N2O6
inchikey: CVWSULASWLZVCH-UHFFFAOYSA-N
norman_susdat_id: NS00001892
pubchem_cid: 75113
smiles: O=c1c2ccccc2c(=O)c2c3[nH]c4c(ccc5c4c(=O)c4ccc6c7ccc8c(c7[nH]c6c4c5=O)c(=O)c4ccccc4c8=O)c3ccc12
inchi:
InChI=1S/C42H18N2O6/c45-37-21-5-1-3-7-23(21)39(47)29-25(37)13-9-17-19-11-15-27-31(35(19)43-33(17)29)41(49)28-16-12-20-18-10-14-26-30(34(18)44-36(20)32(28)42(27)50)40(48)24-8-4-2-6-22(24)38(26)46/h1-16,43-44H


name: 3,3,3-Tris(p-chlorophenyl)propionyl chloride
cas: 2172-49-8
chemspiderid: 67665
dtxsid: DTXSID10176109
formula: C21H14Cl4O1
inchikey: FPBMIAQHNZESKZ-UHFFFAOYSA-N
norman_susdat_id: NS00026947
pubchem_cid: 75114
smiles: ClC(=O)CC(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
inchi:
InChI=1S/C21H14Cl4O/c22-17-7-1-14(2-8-17)21(13-20(25)26,15-3-9-18(23)10-4-15)16-5-11-19(24)12-6-16/h1-12H,13H2


name: 2,2,3-Tris(4-chlorophenyl)propiononitrile
cas: 2172-51-2
chemspiderid: 67666
dtxsid: DTXSID20176110
formula: C21H14Cl3N1
inchikey: SGXWKWVVMYKJNN-UHFFFAOYSA-N
norman_susdat_id: NS00026948
pubchem_cid: 75115
smiles: Clc1ccc(cc1)C(CC#N)(c1ccc(Cl)cc1)c1ccc(Cl)cc1
inchi:
InChI=1S/C21H14Cl3N/c22-18-7-1-15(2-8-18)21(13-14-25,16-3-9-19(23)10-4-16)17-5-11-20(24)12-6-17/h1-12H,13H2


name: 11ß,21-dihydroxypregna-4,16-diene-3,20-dione 21-acetate
cas: 21720-47-8
dtxsid: DTXSID80944337
formula: C23H30O5
inchikey: XHSVJQFXSJKUIK-MHYQPVDNSA-N
norman_susdat_id: NS00049915
pubchem_cid: 12852535
smiles: O=C(OCC(=O)C1=CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC12C)C
inchi:
InChI=1/C23H30O5/c1-13(24)28-12-20(27)18-7-6-17-16-5-4-14-10-15(25)8-9-22(14,2)21(16)19(26)11-23(17,18)3/h7,10,16-17,19,21,26H,4-6,8-9,11-12H2,1-3H3


cas: 21728-37-0
dtxsid: DTXSID10944340
formula: C26H23N5O14S3
inchikey: VINYUCUCTOZVSO-UHFFFAOYSA-M
norman_susdat_id: NS00051205
pubchem_cid: 44150978
name:
Sodium dihydrogen 4,5-dihydro-4-[[4-[[[2-methoxy-5-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]amino]carbonyl]phenyl]azo]-5-oxo-1-(4-sulphonatophenyl)-1H-pyrazole-3-carboxylate

inchi:
InChI=1/C26H23N5O14S3.Na.2H2/c1-44-21-11-10-19(46(36,37)13-12-45-48(41,42)43)14-20(21)27-24(32)15-2-4-16(5-3-15)28-29-22-23(26(34)35)30-31(25(22)33)17-6-8-18(9-7-17)47(38,39)40;;;/h2-11,14,22H,12-13H2,1H3,(H,27,32)(H,34,35)(H,38,39,40)(H,41,42,43);;2*1H/q;3*+1/p-3

smiles:
[H+].[H+].[Na+].O=C([O-])C1=NN(C(=O)C1N=NC2=CC=C(C=C2)C(=O)NC3=CC(=CC=C3OC)S(=O)(=O)CCOS(=O)(=O)[O-])C4=CC=C(C=C4)S(=O)(=O)[O-]


name: 1-[(3-methyl-5-oxo-1-phenyl-2-pyrazolin-4-yl)azo]anthraquinone
cas: 21736-60-7
dtxsid: DTXSID20885179
formula: C24H16N4O3
inchikey: UKHANRPQRABKCI-UHFFFAOYSA-N
norman_susdat_id: NS00050447
pubchem_cid: 89531
smiles: O=C1C=2C=CC=CC2C(=O)C=3C(N=NC4C(=O)N(N=C4C)C=5C=CC=CC5)=CC=CC13
inchi:
InChI=1/C24H16N4O3/c1-14-21(24(31)28(27-14)15-8-3-2-4-9-15)26-25-19-13-7-12-18-20(19)23(30)17-11-6-5-10-16(17)22(18)29/h2-13,21H,1H3


name: Spectinomycin dihydrochloride
cas: 21736-83-4
chebiid: CHEBI:9216
formula: C14H24N2O7.2ClH
inchikey: FOGDPGQSHLLYIK-XYQGXRRISA-N
norman_susdat_id: NS00093599
smiles: Cl.Cl.CN[C@@H]1[C@H](O)[C@H](NC)[C@H]2O[C@]3(O)[C@@H](O[C@H](C)CC3=O)O[C@@H]2[C@H]1O
inchi:
InChI=1/C14H24N2O7.2ClH/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;;/h5,7-13,15-16,18-20H,4H2,1-3H3;2*1H


name: 10,11-dihydro-N,5-dimethyl-5H-dibenz[b,f]azepin-10-amine hydrochloride
cas: 21737-55-3
formula: C16H18N2.xClH
inchikey: BCPGMBBFDXZUKD-UHFFFAOYSA-N
norman_susdat_id: NS00084156
smiles: Cl.CNC1Cc2ccccc2N(C)c3ccccc13
inchi:
InChI=1/C16H18N2.ClH/c1-17-14-11-12-7-3-5-9-15(12)18(2)16-10-6-4-8-13(14)16;/h3-10,14,17H,11H2,1-2H3;1H


name: Oxamniquine
cas: 21738-42-1
chebiid: CHEBI:78416
chemspiderid: 4451
dtxsid: DTXSID3023398
formula: C14H21N3O3
inchikey: XCGYUJZMCCFSRP-UHFFFAOYNA-N
norman_susdat_id: NS00026954
pubchem_cid: NA
smiles: CC(C)NCC1CCc2c(N1)cc(c(CO)c2)[N+](=O)[O-]
inchi:
InChI=1S/C14H21N3O3/c1-9(2)15-7-12-4-3-10-5-11(8-18)14(17(19)20)6-13(10)16-12/h5-6,9,12,15-16,18H,3-4,7-8H2,1-2H3/t12-/m1/s1


name: 20-hydroxyiminopregna-5,16-dien-3-ß-yl acetate
cas: 2174-13-2
dtxsid: DTXSID80944352
formula: C23H33NO3
inchikey: OVKSHCIVDWZSJD-RFOVXIPZSA-N
norman_susdat_id: NS00049310
pubchem_cid: 99458
smiles: O=C(OC1CC2=CCC3C4CC=C(C(=NO)C)C4(C)CCC3C2(C)CC1)C
inchi:
InChI=1/C23H33NO3/c1-14(24-26)19-7-8-20-18-6-5-16-13-17(27-15(2)25)9-11-22(16,3)21(18)10-12-23(19,20)4/h5,7,17-18,20-21,26H,6,8-13H2,1-4H3


name: Tulathromycin
cas: 217500-96-4
chemspiderid: 8008030
dtxsid: DTXSID60274184
formula: C41H79N3O12
inchikey: GUARTUJKFNAVIK-QPTWMBCESA-N
norman_susdat_id: NS00017219
pubchem_cid: 9832301
inchi:
InChI=1S/C41H79N3O12/c1-15-17-42-22-41(50)28(8)53-31(20-39(41,10)51-14)55-33-25(5)35(56-37-32(45)29(44(12)13)18-24(4)52-37)38(9,48)19-23(3)21-43-27(7)34(46)40(11,49)30(16-2)54-36(47)26(33)6/h23-35,37,42-43,45-46,48-50H,15-22H2,1-14H3/t23-,24-,25+,26-,27-,28+,29+,30-,31+,32-,33+,34-,35-,37+,38-,39-,40-,41+/m1/s1

smiles:
CCCNCC1(C(OC(CC1(C)OC)OC2C(C(C(CC(CNC(C(C(C(OC(=O)C2C)CC)(C)O)O)C)C)(C)O)OC3C(C(CC(O3)C)N(C)C)O)C)C)O


name: (R)-o-(((1-Phenylethyl)amino)carbonyl)benzoic acid
cas: 21752-35-2
chemspiderid: 80156
dtxsid: DTXSID80176151
formula: C16H15N1O3
inchikey: VCFKXWGKKDZMPO-LLVKDONJSA-N
norman_susdat_id: NS00026960
pubchem_cid: 89038
smiles: C[C@@H](NC(=O)c1ccccc1C(=O)O)c1ccccc1
inchi:
InChI=1S/C16H15NO3/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16(19)20/h2-11H,1H3,(H,17,18)(H,19,20)/t11-/m1/s1


name: (S)-o-[[(1-phenylethyl)amino]carbonyl]benzoic acid
cas: 21752-36-3
formula: C16H15NO3
inchikey: VCFKXWGKKDZMPO-NSHDSACASA-N
norman_susdat_id: NS00083930
smiles: C[C@H](NC(=O)c1ccccc1C(=O)O)c2ccccc2
inchi:
InChI=1/C16H15NO3/c1-11(12-7-3-2-4-8-12)17-15(18)13-9-5-6-10-14(13)16(19)20/h2-11H,1H3,(H,17,18)(H,19,20)


name: Sequoiaflavone
cas: 21763-71-3
chemspiderid: 4588357
dtxsid: DTXSID90176162
formula: C31H20O10
inchikey: TYUMAYSMJLPFAN-UHFFFAOYSA-N
norman_susdat_id: NS00026962
pubchem_cid: 5484010
smiles: COc1cc2c(c(O)c1)c(=O)cc(o2)c1cc(c(O)cc1)c1c2oc(cc(=O)c2c(O)cc1O)c1ccc(O)cc1
inchi:
InChI=1S/C31H20O10/c1-39-17-9-20(34)29-23(37)12-26(40-27(29)10-17)15-4-7-19(33)18(8-15)28-21(35)11-22(36)30-24(38)13-25(41-31(28)30)14-2-5-16(32)6-3-14/h2-13,32-36H,1H3


name: 1-amino-4,8-dihydroxy-5-nitroanthraquinone
cas: 2177-10-8
dtxsid: DTXSID50176168
formula: C14H9N2O6
inchikey: IPJOWXGWQRTFMU-UHFFFAOYSA-N
norman_susdat_id: NS00049963
pubchem_cid: NA
smiles: O=C1C=2C(O)=CC=C(C2C(=O)C=3C(O)=CC=C(N)C13)[N+](=O)[O-]
inchi:
InChI=1/C14H8N2O6/c15-5-1-3-7(17)11-9(5)13(19)12-8(18)4-2-6(16(21)22)10(12)14(11)20/h1-4,17-18H,15H2


cas: 217805-03-3
dtxsid: DTXSID80725047
formula: C24H21F27Sn
inchikey: AWXKBZBNZBUKHW-UHFFFAOYSA-N
norman_susdat_id: NS00111610
name:
[1,1,1,2,2,3,3,4,4,14,14,15,15,16,16,17,17,17-Octadecafluoro-10-(4,4,5,5,6,6,7,7,7-nonafluoroheptyl)heptadec-9-en-8-yl]-lambda~2~-stannanyl

inchi:
InChI=1S/C24H20F27.Sn.H/c25-13(26,16(31,32)19(37,38)22(43,44)45)9-3-1-2-6-12(7-4-10-14(27,28)17(33,34)20(39,40)23(46,47)48)8-5-11-15(29,30)18(35,36)21(41,42)24(49,50)51;;/h2,6H,1,3-5,7-11H2;;

smiles:
FC(F)(CCCC([SnH])C=C(CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F |^1:7|


name: Perfluoro-2-(2-ethoxyethoxy)-1,1-diphenylethan-1-ol
cas: 217824-95-8
dtxsid: DTXSID90897507
formula: C18HF21O3
inchikey: DXMNIUZVFLURQX-UHFFFAOYSA-N
norman_susdat_id: NS00112218
smiles: OC(C1=C(F)C(F)=C(F)C(F)=C1F)(C1=C(F)C(F)=C(F)C(F)=C1F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F
inchi:
InChI=1S/C18HF21O3/c19-3-1(4(20)8(24)11(27)7(3)23)13(40,2-5(21)9(25)12(28)10(26)6(2)22)15(32,33)41-17(36,37)18(38,39)42-16(34,35)14(29,30)31/h40H


name: 4-Nitrophenyl N2-((phenylmethoxy)carbonyl)lysinate monohydrochloride
cas: 2179-15-9
chemspiderid: 96754
dtxsid: DTXSID00176198
formula: C20H23N3O6
inchikey: JFZLPXVXTZKFDV-FERBBOLQSA-N
norman_susdat_id: NS00026968
pubchem_cid: 2724407
smiles: [Cl-].NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Oc1ccc(cc1)[N+](=O)[O-].[H+]
inchi:
InChI=1S/C20H23N3O6/c21-13-5-4-8-18(22-20(25)28-14-15-6-2-1-3-7-15)19(24)29-17-11-9-16(10-12-17)23(26)27/h1-3,6-7,9-12,18H,4-5,8,13-14,21H2,(H,22,25)/t18-/m0/s1


name: Bencyclane
cas: 2179-37-5
chebiid: CHEBI:135205
chemspiderid: 2222
dtxsid: DTXSID0022646
formula: C19H31N1O1
inchikey: FYJJXENSONZJRG-UHFFFAOYSA-N
norman_susdat_id: NS00005558
pubchem_cid: 2312
smiles: CN(C)CCCOC1(Cc2ccccc2)CCCCCC1
inchi:
InChI=1S/C19H31NO/c1-20(2)15-10-16-21-19(13-8-3-4-9-14-19)17-18-11-6-5-7-12-18/h5-7,11-12H,3-4,8-10,13-17H2,1-2H3


name: Bis(lauroyloxy)dimethylstannane
cas: 2179-99-9
dtxsid: DTXSID30176202
formula: C26H52O4Sn
inchikey: LYYNQLKRDKNQMN-UHFFFAOYSA-L
norman_susdat_id: NS00049323
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)CCCCCCCCCCC)(C)C)CCCCCCCCCCC
inchi:
InChI=1/2C12H24O2.2CH3.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12(13)14;;;/h2*2-11H2,1H3,(H,13,14);2*1H3;/q;;;;+2/p-2/rC26H52O4Sn/c1-5-7-9-11-13-15-17-19-21-23-25(27)29-31(3,4)30-26(28)24-22-20-18-16-14-12-10-8-6-2/h5-24H2,1-4H3


name: Sodium 2-oxobornane-10-sulphonate
cas: 21791-94-6
formula: C10H16O4S.Na
inchikey: AWMAOFAHBPCBHJ-UHFFFAOYSA-M
norman_susdat_id: NS00083667
smiles: [Na+].CC1(C)C2CCC1(CS(=O)(=O)[O-])C(=O)C2
inchi:
InChI=1/C10H16O4S.Na/c1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14;/h7H,3-6H2,1-2H3,(H,12,13,14);/q;+1/p-1


cas: 21794-01-4
formula: C26H30O11
inchikey: ZJTBTDVZNGBSNG-UHFFFAOYSA-N
norman_susdat_id: NS00050758
pubchem_cid: 30816
smiles: O=C1OC(CC=C1)C(O)C2CC=3C(=O)OC(=O)C3C(O)C(C=4C(=O)OC(=O)C4C2)C(O)CCCCCC
name:
[4R*,5S*(R*),10S*[S*(S*)]]-(+)-10-[(3,6-dihydro-6-oxo-2H-pyran-2-yl)hydroxymethyl]-5,9,10,11-tetrahydro-4-hydroxy-5-(1-hydroxyheptyl)-1H-cyclonona[1,2-c:5,6-c']difuran-1,3,6,8(4H)-tetrone

inchi:
InChI=1/C26H30O11/c1-2-3-4-5-7-15(27)20-18-13(23(31)36-25(18)33)10-12(21(29)16-8-6-9-17(28)35-16)11-14-19(22(20)30)26(34)37-24(14)32/h6,9,12,15-16,20-22,27,29-30H,2-5,7-8,10-11H2,1H3


name: Bupivacaine
cas: 2180-92-9
chebiid: CHEBI:77431
chemspiderid: 2380
dtxsid: DTXSID2022703
formula: C18H28N2O1
inchikey: LEBVLXFERQHONN-UHFFFAOYSA-N
norman_susdat_id: NS00000609
pubchem_cid: 2474
smiles: CCCCN1CCCCC1/C(=N/C2=C(C=CC=C2C)C)/O
inchi:
InChI=1S/C18H28N2O/c1-4-5-12-20-13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21)


name: D-Ethylgonendione
cas: 21800-83-9
chemspiderid: 11332401
formula: C19H26O2
inchikey: SBLHOJQRZNGHLQ-UHFFFAOYSA-N
norman_susdat_id: NS00001249
pubchem_cid: 12598353
smiles: CC[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=CC(=O)CC[C@H]34
inchi:
InChI=1S/C19H26O2/c1-2-19-10-9-15-14-6-4-13(20)11-12(14)3-5-16(15)17(19)7-8-18(19)21/h11,14-17H,2-10H2,1H3/t14-,15+,16+,17-,19-/m0/s1


name: (4-methoxy-4-oxo-2-butenyl)triphenylphosphonium bromide
cas: 2181-98-8
formula: C23H22O2P
inchikey: KSTXYAKHACCZSD-UHFFFAOYSA-M
norman_susdat_id: NS00049370
pubchem_cid: 3083751
smiles: [Br-].O=C(OC)C=CC[P+](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3
inchi:
InChI=1/C23H22O2P.BrH/c1-25-23(24)18-11-19-26(20-12-5-2-6-13-20,21-14-7-3-8-15-21)22-16-9-4-10-17-22;/h2-18H,19H2,1H3;1H/q+1;/p-1


name: 1-amino-2-[(phenylimino)methyl]anthraquinone
cas: 21810-19-5
dtxsid: DTXSID50944420
formula: C21H14N2O2
inchikey: XKHYBYCPDSPUIG-UHFFFAOYSA-N
norman_susdat_id: NS00050040
pubchem_cid: 2847378
smiles: O=C1C=2C=CC=CC2C(=O)C3=C(N)C(C=NC=4C=CC=CC4)=CC=C13
inchi:
InChI=1/C21H14N2O2/c22-19-13(12-23-14-6-2-1-3-7-14)10-11-17-18(19)21(25)16-9-5-4-8-15(16)20(17)24/h1-12H,22H2


name: 9(10H)-Acridinone, 4-nitro-1-(phenylthio)-
cas: 21810-29-7
chemspiderid: 80368
dtxsid: DTXSID1066730
formula: C19H12N2O3S1
inchikey: GXVKCZFAZONQGQ-UHFFFAOYSA-N
norman_susdat_id: NS00021857
pubchem_cid: 89064
smiles: [O-][N+](=O)c1c2[nH]c3c(cccc3)c(=O)c2c(Sc2ccccc2)cc1
inchi:
InChI=1S/C19H12N2O3S/c22-19-13-8-4-5-9-14(13)20-18-15(21(23)24)10-11-16(17(18)19)25-12-6-2-1-3-7-12/h1-11H,(H,20,22)


name: Phenol, 4,4'-[1,4-phenylenebis(azo)]bis-
cas: 21811-64-3
dtxsid: DTXSID1066732
formula: C18H14N4O2
inchikey: AOCDFLRLNPGEIC-UHFFFAOYSA-N
norman_susdat_id: NS00049432
pubchem_cid: 89067
smiles: OC1=CC=C(N=NC2=CC=C(N=NC3=CC=C(O)C=C3)C=C2)C=C1
inchi:
InChI=1/C18H14N4O2/c23-17-9-5-15(6-10-17)21-19-13-1-2-14(4-3-13)20-22-16-7-11-18(24)12-8-16/h1-12,23-24H


name: 2-[[2-hydroxy-5-[(methylamino)sulphonyl]phenyl]azo]-3-oxo-N-phenylbutyramide
cas: 21811-94-9
dtxsid: DTXSID90885181
formula: C17H18N4O5S
inchikey: JDADFXDXAQJCDH-UHFFFAOYSA-N
norman_susdat_id: NS00050760
pubchem_cid: 89536
smiles: O=C(NC=1C=CC=CC1)C(N=NC2=CC(=CC=C2O)S(=O)(=O)NC)C(=O)C
inchi:
InChI=1/C17H18N4O5S/c1-11(22)16(17(24)19-12-6-4-3-5-7-12)21-20-14-10-13(8-9-15(14)23)27(25,26)18-2/h3-10,16,18,23H,1-2H3,(H,19,24)


name: Vindoline
cas: 2182-14-1
chebiid: CHEBI:16380
chemspiderid: 228680
formula: C25H32N2O6
inchikey: CXBGOBGJHGGWIE-ACSXSLCXSA-N
norman_susdat_id: NS00018366
pubchem_cid: 260535
smiles: CCC12C=CCN3C1C4(CC3)C(C(C2OC(=O)C)(C(=O)OC)O)N(C5=C4C=CC(=C5)OC)C
inchi:
InChI=1S/C25H32N2O6/c1-6-23-10-7-12-27-13-11-24(19(23)27)17-9-8-16(31-4)14-18(17)26(3)20(24)25(30,22(29)32-5)21(23)33-15(2)28/h7-10,14,19-21,30H,6,11-13H2,1-5H3/t19-,20+,21+,23+,24+,25-/m0/s1


cas: 21820-34-8
formula: C19H27NO
inchikey: VOKSWYLNZZRQPF-UHFFFAOYSA-N
norman_susdat_id: NS00083668
smiles: CC1C2Cc3ccc(O)cc3C1(C)CCN2CC=C(C)C
name:
(2a,6a,11R*)-(±)-1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-ol

inchi:
InChI=1/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3


name: Diethyl 2,2'-[methylenebis(4,1-phenyleneimino)]bis[2-oxoacetate]
cas: 21825-16-1
dtxsid: DTXSID90944429
formula: C21H22N2O6
inchikey: JHSMNLKVPVZMKN-UHFFFAOYSA-N
norman_susdat_id: NS00049433
pubchem_cid: 89070
smiles: O=C(OCC)C(=O)NC1=CC=C(C=C1)CC2=CC=C(C=C2)NC(=O)C(=O)OCC
inchi:
InChI=1/C21H22N2O6/c1-3-28-20(26)18(24)22-16-9-5-14(6-10-16)13-15-7-11-17(12-8-15)23-19(25)21(27)29-4-2/h5-12H,3-4,13H2,1-2H3,(H,22,24)(H,23,25)


name: Nifedipine
cas: 21829-25-4
chebiid: CHEBI:7565
chemspiderid: 4330
dtxsid: DTXSID2025715
formula: C17H18N2O6
inchikey: HYIMSNHJOBLJNT-UHFFFAOYSA-N
norman_susdat_id: NS00002967
pubchem_cid: 4485
smiles: COC(=O)C1=C(C)NC(C)=C(C1c1ccccc1[N+]([O-])=O)C(=O)OC
inchi:
InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3


name: Hydromorphinol [INN:BAN:DCF]
cas: 2183-56-4
chemspiderid: 4576407
dtxsid: DTXSID30176242
formula: C17H21N1O4
inchikey: AABLHGPVOULICI-BRJGLHKUSA-N
norman_susdat_id: NS00016857
pubchem_cid: 5463858
smiles: CN1CCC23C4C(CCC2(C1CC5=C3C(=C(C=C5)O)O4)O)O
inchi:
InChI=1S/C17H21NO4/c1-18-7-6-16-13-9-2-3-10(19)14(13)22-15(16)11(20)4-5-17(16,21)12(18)8-9/h2-3,11-12,15,19-21H,4-8H2,1H3/t11-,12+,15-,16-,17+/m0/s1


name: N-(4-chloro-2-methylphenyl)-3-hydroxy-4-[(2-methylphenyl)azo]naphthalene-2-carboxamide
cas: 21839-86-1
formula: C25H20ClN3O2
inchikey: OXODWVRIYDVVMU-UHFFFAOYSA-N
norman_susdat_id: NS00050025
pubchem_cid: 89072
smiles: O=C(NC1=CC=C(Cl)C=C1C)C2=CC=3C=CC=CC3C(N=NC=4C=CC=CC4C)=C2O
inchi:
InChI=1/C25H20ClN3O2/c1-15-7-3-6-10-22(15)28-29-23-19-9-5-4-8-17(19)14-20(24(23)30)25(31)27-21-12-11-18(26)13-16(21)2/h3-14,30H,1-2H3,(H,27,31)


cas: 2184-11-4
dtxsid: DTXSID8062238
formula: C41H36N10O17S4
inchikey: ZPEKYFQIEQELMD-UHFFFAOYSA-J
norman_susdat_id: NS00049447
pubchem_cid: NA
name:
Tetrasodium 7,7'-[[6-(morpholin-4-yl)-1,3,5-triazine-2,4-diyl]diimino]bis[4-hydroxy-3-[(4-methoxy-2-sulphonatophenyl)azo]naphthalene-2-sulphonate]

inchi:
InChI=1/C41H36N10O17S4.4Na/c1-66-25-5-9-29(31(19-25)69(54,55)56)47-49-35-33(71(60,61)62)17-21-15-23(3-7-27(21)37(35)52)42-39-44-40(46-41(45-39)51-11-13-68-14-12-51)43-24-4-8-28-22(16-24)18-34(72(63,64)65)36(38(28)53)50-48-30-10-6-26(67-2)20-32(30)70(57,58)59;;;;/h3-10,15-20,52-53H,11-14H2,1-2H3,(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H2,42,43,44,45,46);;;;/q;4*+1/p-4

smiles:
[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC(OC)=CC=C1N=NC=2C(O)=C3C=CC(=CC3=CC2S(=O)(=O)[O-])NC=4N=C(N=C(N4)N5CCOCC5)NC=6C=CC7=C(O)C(N=NC8=CC=C(OC)C=C8S(=O)(=O)[O-])=C(C=C7C6)S(=O)(=O)[O-]


cas: 2184-15-8
formula: C40H34N10O19S5
inchikey: MZCYQFGVCVZZLQ-UHFFFAOYSA-I
norman_susdat_id: NS00049465
pubchem_cid: NA
name:
2,7-Naphthalenedisulfonic acid, 4-hydroxy-5-[[4-[[5-hydroxy-6-[(4-methoxy-2-sulfophenyl)azo]-7-sulfo-2-naphthalenyl]amino]-6-(4-morpholinyl)-1,3,5-triazin-2-yl]amino]-3-[(2-sulfophenyl)azo]-, pentasodium salt

inchi:
InChI=1/C40H34N10O19S5.5Na/c1-68-23-7-9-27(30(18-23)72(59,60)61)47-48-34-31(73(62,63)64)16-20-14-22(6-8-25(20)36(34)51)41-38-43-39(45-40(44-38)50-10-12-69-13-11-50)42-28-19-24(70(53,54)55)15-21-17-32(74(65,66)67)35(37(52)33(21)28)49-46-26-4-2-3-5-29(26)71(56,57)58;;;;;/h2-9,14-19,51-52H,10-13H2,1H3,(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H2,41,42,43,44,45);;;;;/q;5*+1/p-5

smiles:
[Na+].[Na+].[Na+].[Na+].[Na+].O=S(=O)([O-])C1=CC=2C=C(C(N=NC=3C=CC=CC3S(=O)(=O)[O-])=C(O)C2C(=C1)NC4=NC(=NC(=N4)N5CCOCC5)NC=6C=CC7=C(O)C(N=NC8=CC=C(OC)C=C8S(=O)(=O)[O-])=C(C=C7C6)S(=O)(=O)[O-])S(=O)(=O)[O-]


name: N-Octadecyl-1,3,5-triazine-2,4,6-triamine
cas: 21840-04-0
chemspiderid: 80375
dtxsid: DTXSID70176246
formula: C21H42N6
inchikey: YVQGTGVCLMMSTL-UHFFFAOYSA-N
norman_susdat_id: NS00026974
pubchem_cid: 89073
smiles: CCCCCCCCCCCCCCCCCCNc1nc(N)nc(N)n1
inchi:
InChI=1S/C21H42N6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-21-26-19(22)25-20(23)27-21/h2-18H2,1H3,(H5,22,23,24,25,26,27)


name: Bis(acryloyloxy)dibutylstannane
cas: 21843-46-9
dtxsid: DTXSID60176250
formula: C14H24O4Sn
inchikey: PTXVMRHAGBKZAC-UHFFFAOYSA-L
norman_susdat_id: NS00050762
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)C=C)(CCCC)CCCC)C=C
inchi:
InChI=1/2C4H9.2C3H4O2.Sn/c2*1-3-4-2;2*1-2-3(4)5;/h2*1,3-4H2,2H3;2*2H,1H2,(H,4,5);/q;;;;+2/p-2/rC14H24O4Sn/c1-5-9-11-19(12-10-6-2,17-13(15)7-3)18-14(16)8-4/h7-8H,3-6,9-12H2,1-2H3


cas: 218448-95-4
dtxsid: DTXSID60882667
norman_susdat_id: NS00110969
name:
2-Propenoic acid, 2-methyl-, methyl ester, polymer with 2-ethylhexyl-2-propenoate, 2-[(heptadecafluorooctyl)sulfonyl]propylamino]ethyl-2-propenoate and .alpha.-(2-methyl-1-oxo-2-propenyl)-.omega.-hydroxypoly[oxy(methyl-1,2-ethanediyl)]


cas: 218448-99-8
dtxsid: DTXSID60882723
norman_susdat_id: NS00110973
name:
2-Propenoic acid, 2-ethylhexyl ester, polymer with 2-[[(heptadecafluorooctyl)sulfonyl]propylamino]ethyl, 2-propenoate and .alpha.-(2-methyl-1-oxo-2-propenyl)-.omega.-hydroxypoly(oxy-1,2-ethanediyl)


cas: 2185-86-6
chebiid: CHEBI:90518
dtxsid: DTXSID90883804
formula: C29H32N3
inchikey: JEVGKYBUANQAKG-UHFFFAOYSA-N
norman_susdat_id: NS00048149
pubchem_cid: 16599
smiles: [Cl-].C=1C=CC2=C(C1)C(=CC=C2C(C3=CC=C(C=C3)N(C)C)=C4C=CC(C=C4)=[N+](C)C)NCC
name:
[4-[[4-(dimethylamino)phenyl][4-(ethylamino)-1-naphthyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride

inchi:
InChI=1/C29H31N3.ClH/c1-6-30-28-20-19-27(25-9-7-8-10-26(25)28)29(21-11-15-23(16-12-21)31(2)3)22-13-17-24(18-14-22)32(4)5;/h7-20H,6H2,1-5H3;1H


cas: 2185-87-7
dtxsid: DTXSID80944453
formula: C34H34N3
inchikey: HJSOFCVADRYENQ-UHFFFAOYSA-N
norman_susdat_id: NS00048834
pubchem_cid: 21123859
smiles: [Cl-].C=1C=CC2=C(C1)C=CC(NC3=CC=C(C=C3)C)=C2C(C4=CC=C(C=C4)N(C)C)=C5C=CC(C=C5)=[N+](C)C
name:
[4-[[4-(dimethylamino)phenyl][4-toluidino-1-naphthyl]methylene]cyclohexa-2,5-dien-1-ylidene]dimethylammonium chloride

inchi:
InChI=1/C34H33N3.ClH/c1-24-10-17-28(18-11-24)35-32-23-16-25-8-6-7-9-31(25)34(32)33(26-12-19-29(20-13-26)36(2)3)27-14-21-30(22-15-27)37(4)5;/h6-23H,1-5H3;1H


name: Tetrabromobisphenol A-bis(2,3-dibromopropyl ether)
cas: 21850-44-2
chemspiderid: 56497
dtxsid: DTXSID3032129
formula: C21H20Br8O2
inchikey: LXIZRZRTWSDLKK-UHFFFAOYSA-N
norman_susdat_id: NS00001296
pubchem_cid: 62753
smiles: CC(C)(c1cc(Br)c(OCC(Br)CBr)c(Br)c1)c1cc(Br)c(OCC(Br)CBr)c(Br)c1
inchi:
InChI=1S/C21H20Br8O2/c1-21(2,11-3-15(26)19(16(27)4-11)30-9-13(24)7-22)12-5-17(28)20(18(29)6-12)31-10-14(25)8-23/h3-6,13-14H,7-10H2,1-2H3


name: 16-a,17-a-epoxy-3,20-dioxopregn-4-en-21-yl acetate
cas: 21853-83-8
chebiid: CHEBI:34170
formula: C23H30O5
inchikey: QZHWBQCNOKNTPO-UIHBBMEUSA-N
norman_susdat_id: NS00050027
pubchem_cid: 227111
smiles: O=C(OCC(=O)C12OC2CC3C4CCC5=CC(=O)CCC5(C)C4CCC31C)C
inchi:
InChI=1/C23H30O5/c1-13(24)27-12-19(26)23-20(28-23)11-18-16-5-4-14-10-15(25)6-8-21(14,2)17(16)7-9-22(18,23)3/h10,16-18,20H,4-9,11-12H2,1-3H3


name: Bardoxolone
cas: 218600-44-3
dtxsid: DTXSID50870250
formula: C31H41NO4
inchikey: TXGZJQLMVSIZEI-UQMAOPSPSA-N
norman_susdat_id: NS00070155
pubchem_cid: 400010
inchi:
InChI=1S/C31H41NO4/c1-26(2)10-12-31(25(35)36)13-11-30(7)23(19(31)16-26)20(33)14-22-28(5)15-18(17-32)24(34)27(3,4)21(28)8-9-29(22,30)6/h14-15,19,21,23H,8-13,16H2,1-7H3,(H,35,36)/t19-,21-,23-,28-,29+,30+,31-/m0/s1

smiles:
CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)[C@H](C(=O)C=C4[C@@]3(C)CC[C@H]3C(C)(C)C(=O)C(C#N)=C[C@]43C)[C@@H]2C1


name: Bardoxolone methyl
cas: 218600-53-4
dtxsid: DTXSID5048764
formula: C32H43NO4
inchikey: WPTTVJLTNAWYAO-KPOXMGGZSA-N
norman_susdat_id: NS00069711
pubchem_cid: 400769
inchi:
InChI=1S/C32H43NO4/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3/t20-,22-,24-,29-,30+,31+,32-/m0/s1

smiles:
COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@](C)(CC[C@H]4C(C)(C)C(=O)C(C#N)=C[C@]34C)[C@]1(C)CC2


name: Disodium 9,9-bis(2-carbamoylethyl)fluorene-2,7-disulphonate
cas: 21876-21-1
dtxsid: DTXSID40176278
formula: C19H20N2O8S2
inchikey: MPORKCDRPUTZSO-UHFFFAOYSA-L
norman_susdat_id: NS00050029
pubchem_cid: 3015116
smiles: [Na+].[Na+].O=C(N)CCC1(C2=CC(=CC=C2C=3C=CC(=CC31)S(=O)(=O)[O-])S(=O)(=O)[O-])CCC(=O)N
inchi:
InChI=1/C19H20N2O8S2.2Na/c20-17(22)5-7-19(8-6-18(21)23)15-9-11(30(24,25)26)1-3-13(15)14-4-2-12(10-16(14)19)31(27,28)29;;/h1-4,9-10H,5-8H2,(H2,20,22)(H2,21,23)(H,24,25,26)(H,27,28,29);;/q;2*+1/p-2


name: Bostrycin
cas: 21879-81-2
chemspiderid: 28612
dtxsid: DTXSID60891835
formula: C16H16O8
inchikey: ZQNOLGRKZRDRQO-OAGGEKHMSA-N
norman_susdat_id: NS00094907
pubchem_cid: 30839
smiles: C[C@@]1(CC2=C(C3=C(C(=O)C=C(C3=O)OC)C(=C2[C@H]([C@H]1O)O)O)O)O
inchi:
InChI=1S/C16H16O8/c1-16(23)4-5-8(14(21)15(16)22)13(20)9-6(17)3-7(24-2)12(19)10(9)11(5)18/h3,14-15,18,20-23H,4H2,1-2H3/t14-,15-,16+/m1/s1


name: N2-[(1,1-dimethylethoxy)carbonyl]-N5-[imino(nitroamino)methyl]-L-ornithine
cas: 2188-18-3
dtxsid: DTXSID50883805
formula: C11H22N5O6
inchikey: OZSSOVRIEPAIMP-ZETCQYMHSA-N
norman_susdat_id: NS00049537
pubchem_cid: NA
smiles: O=C(OC(C)(C)C)NC(C(=O)O)CCCNC(=N)N[N+](=O)[O-]
inchi:
InChI=1/C11H21N5O6/c1-11(2,3)22-10(19)14-7(8(17)18)5-4-6-13-9(12)15-16(20)21/h7H,4-6H2,1-3H3,(H,14,19)(H,17,18)(H3,12,13,15)


name: Dimethyl 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
cas: 21881-77-6
dtxsid: DTXSID40944479
formula: C17H19N2O6
inchikey: MCTRZKAKODSRLQ-UHFFFAOYSA-N
norman_susdat_id: NS00050103
pubchem_cid: 89082
smiles: O=C(OC)C1=C(NC(=C(C(=O)OC)C1C=2C=CC=C(C2)[N+](=O)[O-])C)C
inchi:
InChI=1/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-6-5-7-12(8-11)19(22)23/h5-8,15,18H,1-4H3


name: Luteoskyrin
cas: 21884-44-6
chebiid: CHEBI:80711
chemspiderid: 17215083
dtxsid: DTXSID0020787
formula: C30H22O12
inchikey: KXNUPFFSGSRABD-UHFFFAOYNA-N
norman_susdat_id: NS00026980
pubchem_cid: NA
smiles: Cc1cc(O)c2C(=C3C(=O)C4C(O)C5C6C(O)C(C(=O)C7=C(O)c8c(O)cc(C)c(O)c8C(=O)C467)C35C(=O)c2c1O)O
inchi:
InChI=1S/C30H22O12/c1-5-3-7(31)9-11(19(5)33)27(41)29-13-14-24(38)17(29)26(40)16-22(36)10-8(32)4-6(2)20(34)12(10)28(42)30(14,16)18(23(13)37)25(39)15(29)21(9)35/h3-4,13-14,17-18,23-24,31-38H,1-2H3/t13-,14+,17-,18+,23-,24-,29+,30-/m1/s1


name: 4-[(6-Amino-4-Pyrimidinyl)amino]benzenesulfonamide
cas: 21886-12-4
formula: C10H11N5O2S
inchikey: FVFVVRPJERUECT-UHFFFAOYSA-N
norman_susdat_id: NS00068276
pubchem_cid: 2608
smiles: Nc1cc(Nc2ccc(S(N)(=O)=O)cc2)ncn1
inchi:
InChI=1S/C10H11N5O2S/c11-9-5-10(14-6-13-9)15-7-1-3-8(4-2-7)18(12,16)17/h1-6H,(H2,12,16,17)(H3,11,13,14,15)


name: (S)-3-phenyl-1'-(phenylmethyl)[3,4'-bipiperidine]-2,6-dione monohydrochloride
cas: 21888-96-0
formula: C23H26N2O2.ClH
inchikey: XSOOSXRNMDUWEM-GNAFDRTKSA-N
norman_susdat_id: NS00083704
smiles: Cl.O=C1CC[C@@](C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c4ccccc4
inchi:
InChI=1/C23H26N2O2.ClH/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18;/h1-10,20H,11-17H2,(H,24,26,27);1H


name: dexetimide
cas: 21888-98-2
chemspiderid: 28616
formula: C23H26N2O2
inchikey: LQQIVYSCPWCSSD-QHCPKHFHSA-N
norman_susdat_id: NS00007939
pubchem_cid: 30844
smiles: O=C1CC[C@](C2CCN(Cc3ccccc3)CC2)(C(=O)N1)c1ccccc1
inchi:
InChI=1S/C23H26N2O2/c26-21-11-14-23(22(27)24-21,19-9-5-2-6-10-19)20-12-15-25(16-13-20)17-18-7-3-1-4-8-18/h1-10,20H,11-17H2,(H,24,26,27)/t23-/m0/s1


name: 2-Naphthalenecarboxamide, 4-[(3-chlorophenyl)azo]-3-hydroxy-N-(2-methylphenyl)-
cas: 21889-25-8
dtxsid: DTXSID6066737
formula: C24H18ClN3O2
inchikey: ZAYYISZICSFJBO-UHFFFAOYSA-N
norman_susdat_id: NS00049498
pubchem_cid: 89086
smiles: O=C(NC=1C=CC=CC1C)C2=CC=3C=CC=CC3C(N=NC=4C=CC=C(Cl)C4)=C2O
inchi:
InChI=1/C24H18ClN3O2/c1-15-7-2-5-12-21(15)26-24(30)20-13-16-8-3-4-11-19(16)22(23(20)29)28-27-18-10-6-9-17(25)14-18/h2-14,29H,1H3,(H,26,30)


name: 2-Naphthalenecarboxamide, 4-[(3-chlorophenyl)azo]-3-hydroxy-N-(2-methoxyphenyl)-
cas: 21889-27-0
dtxsid: DTXSID1066738
formula: C24H18ClN3O3
inchikey: KJDVTHBTAGHDAM-UHFFFAOYSA-N
norman_susdat_id: NS00050093
pubchem_cid: 89087
smiles: O=C(NC=1C=CC=CC1OC)C2=CC=3C=CC=CC3C(N=NC=4C=CC=C(Cl)C4)=C2O
inchi:
InChI=1/C24H18ClN3O3/c1-31-21-12-5-4-11-20(21)26-24(30)19-13-15-7-2-3-10-18(15)22(23(19)29)28-27-17-9-6-8-16(25)14-17/h2-14,29H,1H3,(H,26,30)


name: 2-Naphthalenesulfonic acid, 7-amino-4-hydroxy-3-[(2-sulfophenyl)azo]-
cas: 21889-28-1
dtxsid: DTXSID6066739
formula: C25H20ClN3O3
inchikey: VLENPWQNQFIXCX-UHFFFAOYSA-N
norman_susdat_id: NS00050094
pubchem_cid: 89088
smiles: O=C(NC=1C=CC=CC1OC)C2=CC=3C=CC=CC3C(N=NC4=CC(Cl)=CC=C4C)=C2O
inchi:
InChI=1/C25H20ClN3O3/c1-15-11-12-17(26)14-21(15)28-29-23-18-8-4-3-7-16(18)13-19(24(23)30)25(31)27-20-9-5-6-10-22(20)32-2/h3-14,30H,1-2H3,(H,27,31)


name: N-glycyl-DL-tryptophan
cas: 2189-26-6
chebiid: CHEBI:73921
formula: C13H15N3O3
inchikey: AJHCSUXXECOXOY-NSHDSACASA-N
norman_susdat_id: NS00048835
pubchem_cid: NA
smiles: O=C(O)C(NC(=O)CN)CC1=CNC=2C=CC=CC21
inchi:
InChI=1/C13H15N3O3/c14-6-12(17)16-11(13(18)19)5-8-7-15-10-4-2-1-3-9(8)10/h1-4,7,11,15H,5-6,14H2,(H,16,17)(H,18,19)


name: Methylenebis(diphenylarsine)
cas: 21892-63-7
formula: C25H22As2
inchikey: AJVCEIPMQIRLFR-UHFFFAOYSA-N
norman_susdat_id: NS00083979
smiles: C([As](c1ccccc1)c2ccccc2)[As](c3ccccc3)c4ccccc4
inchi:
InChI=1/C25H22As2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2


name: 2-Naphthalenecarboxylic acid, 1-hydroxy-4-(4-nitrophenoxy)-
cas: 21894-06-4
chemspiderid: 80389
dtxsid: DTXSID5066740
formula: C17H11N1O6
inchikey: DBNQZGPCPCXGCX-UHFFFAOYSA-N
norman_susdat_id: NS00026984
pubchem_cid: 89091
smiles: OC(=O)c1c(O)c2c(cccc2)c(Oc2ccc(cc2)[N+](=O)[O-])c1
inchi:
InChI=1S/C17H11NO6/c19-16-13-4-2-1-3-12(13)15(9-14(16)17(20)21)24-11-7-5-10(6-8-11)18(22)23/h1-9,19H,(H,20,21)


name: 4-amino-a-[(tert-butylamino)methyl]-3,5-dichlorobenzyl alcohol monohydrochloride
cas: 21898-19-1
chebiid: CHEBI:31410
formula: C12H18Cl2N2O.ClH
inchikey: OPXKTCUYRHXSBK-UHFFFAOYSA-N
norman_susdat_id: NS00083705
smiles: Cl.CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1
inchi:
InChI=1/C12H18Cl2N2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,10,16-17H,6,15H2,1-3H3;1H


name: 1-[[(1-oxohexadecyl)oxy]methyl]-2-[(1-oxooctadecyl)oxy]ethyl oleate
cas: 2190-27-4
dtxsid: DTXSID20944497
formula: C55H104O6
inchikey: QXPXMOHHFYONAC-SGEDCAFJSA-N
norman_susdat_id: NS00049538
pubchem_cid: 11366450
smiles: O=C(OCC(OC(=O)CCCCCCCC=CCCCCCCCC)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCC
inchi:
InChI=1/C55H104O6/c1-4-7-10-13-16-19-22-25-27-30-33-36-39-42-45-48-54(57)60-51-52(50-59-53(56)47-44-41-38-35-32-29-24-21-18-15-12-9-6-3)61-55(58)49-46-43-40-37-34-31-28-26-23-20-17-14-11-8-5-2/h26,28,52H,4-25,27,29-51H2,1-3H3


name: N,N,N',N'-Tetraphenylmethylenediamine
cas: 21905-92-0
chemspiderid: 80398
dtxsid: DTXSID40176319
formula: C25H22N2
inchikey: YKYJSUGMSFMGHC-UHFFFAOYSA-N
norman_susdat_id: NS00026993
pubchem_cid: 89100
smiles: C(N(c1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C25H22N2/c1-5-13-22(14-6-1)26(23-15-7-2-8-16-23)21-27(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-20H,21H2


name: Hydroxyzine dihydrochloride
cas: 2192-20-3
chebiid: CHEBI:5819
dtxsid: DTXSID2040737
formula: C21H29Cl3N2O2
inchikey: ANOMHKZSQFYSBR-UHFFFAOYSA-N
norman_susdat_id: NS00076231
smiles: Cl.Cl.OCCOCCN1CCN(CC1)C(C1=CC=CC=C1)C1=CC=C(Cl)C=C1
inchi:
InChI=1/C21H27ClN2O2.2ClH/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25;;/h1-9,21,25H,10-17H2;2*1H


name: 2'-[2-(diethylamino)ethoxy]-3-phenylpropiophenone hydrochloride
cas: 2192-21-4
chebiid: CHEBI:31473
formula: C21H27NO2.ClH
inchikey: BYWIEEUABBZFEE-UHFFFAOYSA-N
norman_susdat_id: NS00083317
smiles: Cl.CCN(CC)CCOc1ccccc1C(=O)CCc2ccccc2
inchi:
InChI=1/C21H27NO2.ClH/c1-3-22(4-2)16-17-24-21-13-9-8-12-19(21)20(23)15-14-18-10-6-5-7-11-18;/h5-13H,3-4,14-17H2,1-2H3;1H


name: 17-Oxoestra-1,3,5(10)-trien-3-yl heptafluorobutanoate
cas: 2192-60-1
dtxsid: DTXSID90896732
formula: C22H21F7O3
inchikey: VPKYJRGMBQKKDH-JEWRLFTDSA-N
norman_susdat_id: NS00112201
smiles: C[C@]12CC[C@H]3[C@@H](CCc4cc(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)ccc34)[C@@H]1CCC2=O
inchi:
InChI=1S/C22H21F7O3/c1-19-9-8-14-13-5-3-12(32-18(31)20(23,24)21(25,26)22(27,28)29)10-11(13)2-4-15(14)16(19)6-7-17(19)30/h3,5,10,14-16H,2,4,6-9H2,1H3/t14-,15-,16+,19+/m1/s1


name: Ethyl 4-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypiperidine-1-carboxylate
cas: 21928-40-5
dtxsid: DTXSID50944526
formula: C15H17ClF3NO3
inchikey: FZKYRYDPWDERJV-UHFFFAOYSA-N
norman_susdat_id: NS00049501
pubchem_cid: 89106
smiles: O=C(OCC)N1CCC(O)(C2=CC=C(Cl)C(=C2)C(F)(F)F)CC1
inchi:
InChI=1/C15H17ClF3NO3/c1-2-23-13(21)20-7-5-14(22,6-8-20)10-3-4-12(16)11(9-10)15(17,18)19/h3-4,9,22H,2,5-8H2,1H3


name: 5a,6a-epoxy-3ß-hydroxypregnan-20-one
cas: 2193-00-2
formula: C21H32O3
inchikey: QLULPRPVLIPVFS-WVFTZONGSA-N
norman_susdat_id: NS00083346
smiles: CC(=O)[C@H]1CC[C@H]2[C@@H]3C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]5(C)[C@H]3CC[C@]12C
inchi:
InChI=1/C21H32O3/c1-12(22)15-4-5-16-14-10-18-21(24-18)11-13(23)6-9-20(21,3)17(14)7-8-19(15,16)2/h13-18,23H,4-11H2,1-3H3


name: 2-(Allyloxy)-N-(2-(diethylamino)ethyl)-alpha,alpha,alpha-trifluoro-p-toluamide hydrochloride
cas: 2193-16-0
chemspiderid: 2282620
dtxsid: DTXSID70176342
formula: C17H23F3N2O2
inchikey: PYBOYPRLHMLIIJ-UHFFFAOYSA-N
norman_susdat_id: NS00027000
pubchem_cid: 91997559
smiles: [Cl-].CCN(CC)CCNC(=O)c1c(OCC=C)cc(cc1)C(F)(F)F.[H+]
inchi:
InChI=1S/C17H23F3N2O2/c1-4-11-24-15-12-13(17(18,19)20)7-8-14(15)16(23)21-9-10-22(5-2)6-3/h4,7-8,12H,1,5-6,9-11H2,2-3H3,(H,21,23)


name: Fluprednidene
cas: 2193-87-5
chemspiderid: 83880
dtxsid: DTXSID30176343
formula: C22H27F1O5
inchikey: YVHXHNGGPURVOS-HAFRAUPKSA-N
norman_susdat_id: NS00007231
pubchem_cid: 92921
smiles: C[C@]12CC(O)[C@@]3(F)[C@@H](CCC4=CC(=O)C=C[C@]34C)[C@@H]1CC(=C)[C@]2(O)C(=O)CO
inchi:
InChI=1S/C22H27FO5/c1-12-8-16-15-5-4-13-9-14(25)6-7-19(13,2)21(15,23)17(26)10-20(16,3)22(12,28)18(27)11-24/h6-7,9,15-17,24,26,28H,1,4-5,8,10-11H2,2-3H3/t15-,16-,17?,19-,20-,21-,22-/m0/s1


name: 6'-(diethylamino)-1',3'-dimethylspiro[isobenzofuran-1(3H),9'-[9H]xanthene]-3-one
cas: 21934-68-9
dtxsid: DTXSID70885184
formula: C26H25NO3
inchikey: XUFBVJQHCCCPNM-UHFFFAOYSA-N
norman_susdat_id: NS00050820
pubchem_cid: 89556
smiles: O=C1OC2(C3=CC=C(C=C3OC=4C=C(C=C(C42)C)C)N(CC)CC)C=5C=CC=CC15
inchi:
InChI=1/C26H25NO3/c1-5-27(6-2)18-11-12-21-22(15-18)29-23-14-16(3)13-17(4)24(23)26(21)20-10-8-7-9-19(20)25(28)30-26/h7-15H,5-6H2,1-4H3


name: N-[tert-butoxycarbonyl]-S-trityl-L-cysteine
cas: 21947-98-8
formula: C27H29NO4S
inchikey: JDTOWOURWBDELG-QHCPKHFHSA-N
norman_susdat_id: NS00050097
pubchem_cid: 11167161
smiles: O=C(OC(C)(C)C)NC(C(=O)O)CSC(C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3
inchi:
InChI=1/C27H29NO4S/c1-26(2,3)32-25(31)28-23(24(29)30)19-33-27(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,19H2,1-3H3,(H,28,31)(H,29,30)


name: 1H-Pyrazole-3-carboxylic acid, 5-hydroxy-1-(4-sulfophenyl)-
cas: 21951-33-7
chemspiderid: 80411
dtxsid: DTXSID5066742
formula: C10H8N2O6S1
inchikey: FWCFCFWLTZFWFS-UHFFFAOYSA-N
norman_susdat_id: NS00027002
pubchem_cid: NA
smiles: OC(=O)c1cc(=O)n([nH]1)c1ccc(cc1)S(=O)(=O)O
inchi:
InChI=1S/C10H8N2O6S/c13-9-5-8(10(14)15)11-12(9)6-1-3-7(4-2-6)19(16,17)18/h1-5,11H,(H,14,15)(H,16,17,18)


cas: 219533-59-2
chebiid: CHEBI:80580
chemspiderid: 4590054
dtxsid: DTXSID30747370
formula: C24H29N1O9
inchikey: CRWVOYRJXPDBPM-HSCJLHHPSA-N
norman_susdat_id: NS00001501
pubchem_cid: 5489029
name:
Sodium (5alpha,6alpha,9alpha)-3-methoxy-17-(~2~H_3_)methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl (3xi)-beta-D-ribo-hexopyranosiduronate

inchi:
InChI=1S/C24H29NO9/c1-25-8-7-24-11-4-6-14(32-23-18(28)16(26)17(27)20(34-23)22(29)30)21(24)33-19-13(31-2)5-3-10(15(19)24)9-12(11)25/h3-6,11-12,14,16-18,20-21,23,26-28H,7-9H2,1-2H3,(H,29,30)/t11-,12+,14-,16-,17-,18+,20-,21-,23+,24-/m0/s1

smiles:
COc1ccc2C[C@@H]3[C@@H]4C=C[C@H](O[C@@H]5O[C@@H]([C@@H](O)[C@H](O)[C@H]5O)C(O)=O)[C@@H]5Oc1c2[C@]45CCN3C


cas: 219533-69-4
dtxsid: DTXSID60858145
formula: C23H24D3NO9
inchikey: GNJCUHZOSOYIEC-LAEVVASRSA-N
norman_susdat_id: NS00093642
name:
(5alpha,6alpha)-3-Hydroxy-17-(~2~H_3_)methyl-7,8-didehydro-4,5-epoxymorphinan-6-yl (3xi)-beta-D-ribo-hexopyranosiduronic acid

inchi:
InChI=1S/C23H27NO9/c1-24-7-6-23-10-3-5-13(31-22-17(28)15(26)16(27)19(33-22)21(29)30)20(23)32-18-12(25)4-2-9(14(18)23)8-11(10)24/h2-5,10-11,13,15-17,19-20,22,25-28H,6-8H2,1H3,(H,29,30)/t10-,11+,13-,15?,16-,17+,19-,20-,22+,23-/m0/s1/i1D3

smiles:
[2H]C([2H])([2H])N1CC[C@]23[C@H]4OC5=C(O)C=CC(C[C@@H]1[C@@H]2C=C[C@@H]4O[C@@H]1O[C@@H]([C@@H](O)C(O)[C@H]1O)C(O)=O)=C35


name: Dioctylsulfosuccinate
cas: 21954-86-9
chebiid: CHEBI:534
dtxsid: DTXSID1044279
formula: C20H38O7S
inchikey: HNSDLXPSAYFUHK-UHFFFAOYSA-N
norman_susdat_id: NS00067044
smiles: CCCCC(CC)COC(=O)CC(C(=O)OCC(CC)CCCC)S(O)(=O)=O
inchi:
InChI=1S/C20H38O7S/c1-5-9-11-16(7-3)14-26-19(21)13-18(28(23,24)25)20(22)27-15-17(8-4)12-10-6-2/h16-18H,5-15H2,1-4H3,(H,23,24,25)


name: 5-oxo-1-[(p-tolyl)sulphonyl]-L-proline
cas: 21957-65-3
formula: C12H13NO5S
inchikey: AIQSXWLOKKCHFH-JTQLQIEISA-N
norman_susdat_id: NS00050172
pubchem_cid: 1504149
smiles: O=C(O)C1N(C(=O)CC1)S(=O)(=O)C2=CC=C(C=C2)C
inchi:
InChI=1/C12H13NO5S/c1-8-2-4-9(5-3-8)19(17,18)13-10(12(15)16)6-7-11(13)14/h2-5,10H,6-7H2,1H3,(H,15,16)


name: Ethyl 2-((2-hydroxy-3,5-bis(1-methylethyl)benzoyl)amino)benzoate
cas: 21958-34-9
chemspiderid: 80414
dtxsid: DTXSID70176362
formula: C22H27N1O4
inchikey: YFKMEHAVSBMMIY-UHFFFAOYSA-N
norman_susdat_id: NS00027005
pubchem_cid: 89116
smiles: CCOC(=O)c1c(NC(=O)c2cc(cc(C(C)C)c2O)C(C)C)cccc1
inchi:
InChI=1S/C22H27NO4/c1-6-27-22(26)16-9-7-8-10-19(16)23-21(25)18-12-15(13(2)3)11-17(14(4)5)20(18)24/h7-14,24H,6H2,1-5H3,(H,23,25)


name: Baicalin
cas: 21967-41-9
chebiid: CHEBI:2981
formula: C21H18O11
inchikey: IKIIZLYTISPENI-ZFORQUDYSA-N
norman_susdat_id: NS00097648
smiles: C1=CC=C(C=C1)C2=CC(=O)C3=C(C(=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)O)O)O)O)O)O
inchi:
InChI=1S/C21H18O11/c22-9-6-10(8-4-2-1-3-5-8)30-11-7-12(14(23)15(24)13(9)11)31-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21,23-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1


name: Zabofloxacin
cas: 219680-11-2
dtxsid: DTXSID10870251
formula: C19H20FN5O4
inchikey: ZNPOCLHDJCAZAH-UCQKPKSFSA-N
norman_susdat_id: NS00068316
pubchem_cid: 9952872
smiles: CO/N=C1/CN(c2nc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC12CNC2
inchi:
InChI=1S/C19H20FN5O4/c1-29-23-14-6-24(9-19(14)7-21-8-19)17-13(20)4-11-15(26)12(18(27)28)5-25(10-2-3-10)16(11)22-17/h4-5,10,21H,2-3,6-9H2,1H3,(H,27,28)/b23-14-


name: AGN-PC-0MW29Y
cas: 219694-63-0
dtxsid: DTXSID90433141
formula: C10H15N3O3
inchikey: KZIMLUFVKJLCCH-UHFFFAOYSA-N
norman_susdat_id: NS00072451
pubchem_cid: 9942657
smiles: O=C(O)CCCC(=O)NCCc1c[nH]cn1
inchi:
InChI=1S/C10H15N3O3/c14-9(2-1-3-10(15)16)12-5-4-8-6-11-7-13-8/h6-7H,1-5H2,(H,11,13)(H,12,14)(H,15,16)


name: 3-ethyl-2-[(3-ethyl-3H-benzothiazol-2-ylidene)methyl]benzothiazolium iodide
cas: 2197-01-5
dtxsid: DTXSID10883806
formula: C19H19N2S2
inchikey: XWUVSDMFUQTKQC-UHFFFAOYSA-M
norman_susdat_id: NS00048836
pubchem_cid: NA
smiles: [I-].S1C=2C=CC=CC2N(C1=CC=3SC=4C=CC=CC4[N+]3CC)CC
inchi:
InChI=1/C19H19N2S2.HI/c1-3-20-14-9-5-7-11-16(14)22-18(20)13-19-21(4-2)15-10-6-8-12-17(15)23-19;/h5-13H,3-4H2,1-2H3;1H/q+1;/p-1


name: Dihexadecyl hydrogen phosphate
cas: 2197-63-9
chebiid: CHEBI:60424
dtxsid: DTXSID7062243
formula: C32H67O4P
inchikey: RNPXCFINMKSQPQ-UHFFFAOYSA-N
norman_susdat_id: NS00083318
smiles: CCCCCCCCCCCCCCCCOP(=O)(O)OCCCCCCCCCCCCCCCC
inchi:
InChI=1/C32H67O4P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-35-37(33,34)36-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3,(H,33,34)


cas: 2197126-32-0
formula: C28H32N4O3
inchikey: HWXVIOGONBBTBY-UHFFFAOYSA-N
norman_susdat_id: NS00073688
pubchem_cid: 73354318
smiles: C1=CCOCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cccc(c2)COC1
name:
11-[2-(pyrrolidin-1-yl)ethoxy]-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.1²,?.1?,¹²]heptacosa-1(25),2(27),3,5,8,10,12(26),16,21,23-decaene

inchi:
InChI=1S/C28H32N4O3/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31)


name: Penoxsulam
cas: 219714-96-2
chebiid: CHEBI:81776
chemspiderid: 9959655
dtxsid: DTXSID0034803
formula: C16H14F5N5O5S1
inchikey: SYJGKVOENHZYMQ-UHFFFAOYSA-N
norman_susdat_id: NS00006425
pubchem_cid: 11784975
smiles: COc1cnc(OC)n2nc(NS(=O)(=O)c3c(OCC(F)F)cccc3C(F)(F)F)nc12
inchi:
InChI=1S/C16H14F5N5O5S/c1-29-10-6-22-15(30-2)26-13(10)23-14(24-26)25-32(27,28)12-8(16(19,20)21)4-3-5-9(12)31-7-11(17)18/h3-6,11H,7H2,1-2H3,(H,24,25)


name: 1-thio-ß-D-glucopyranose 1-[5-(methylthio)-N-(sulphooxy)valerimidate]
cas: 21973-56-8
dtxsid: DTXSID50944561
formula: C12H23NO10S3
inchikey: ZTJLWSFUAGPRCE-UHFFFAOYSA-N
norman_susdat_id: NS00050882
pubchem_cid: NA
smiles: O=C(N(OS(=O)(=O)O)SC1OC(CO)C(O)C(O)C1O)CCCCSC
inchi:
InChI=1/C12H23NO10S3/c1-24-5-3-2-4-8(15)13(23-26(19,20)21)25-12-11(18)10(17)9(16)7(6-14)22-12/h7,9-12,14,16-18H,2-6H2,1H3,(H,19,20,21)


cas: 219795-01-4
dtxsid: DTXSID20882784
norman_susdat_id: NS00109617
name:
Poly[oxy(1,1,2,2,3,3,4,4,5,5-decafluoro-1,5-pentanediyl)], .alpha.-[5-[[2-(carboxymethyl)-1-oxooctadecyl]oxy]-1,1,2,2,3,3,4,4-octafluoropentyl]-.omega.-(nonafluorobutoxy)-


name: Verrucarol
cas: 2198-92-7
chemspiderid: 5458
dtxsid: DTXSID00891793
formula: C15H22O4
inchikey: ZSRVBNXAPSQDFY-CXOCQXMISA-N
norman_susdat_id: NS00015392
pubchem_cid: 104989
smiles: CC1=CC2C(CC1)(C3(C(CC(C34CO4)O2)O)C)CO
inchi:
InChI=1S/C15H22O4/c1-9-3-4-14(7-16)11(5-9)19-12-6-10(17)13(14,2)15(12)8-18-15/h5,10-12,16-17H,3-4,6-8H2,1-2H3/t10-,11-,12-,13?,14-,15?/m1/s1


name: 1,5-bis(o-nitroanilino)anthraquinone
cas: 21982-51-4
dtxsid: DTXSID20944573
formula: C26H18N4O6
inchikey: WOXKBZOCKBHPDR-UHFFFAOYSA-N
norman_susdat_id: NS00050884
pubchem_cid: 89126
smiles: O=C1C=2C=CC=C(NC=3C=CC=CC3[N+](=O)[O-])C2C(=O)C=4C=CC=C(NC=5C=CC=CC5[N+](=O)[O-])C14
inchi:
InChI=1/C26H16N4O6/c31-25-16-8-6-12-20(28-18-10-2-4-14-22(18)30(35)36)24(16)26(32)15-7-5-11-19(23(15)25)27-17-9-1-3-13-21(17)29(33)34/h1-14,27-28H


cas: 21986-78-7
dtxsid: DTXSID0066745
formula: C38H78O5S2Sn2
inchikey: UWIFBTKOEZYCIV-UHFFFAOYSA-K
norman_susdat_id: NS00050885
pubchem_cid: NA
smiles: O=C(OCCCCCCCC)CCS[Sn](SCCC(=O)O[Sn](OCCCCCCCC)(CCCC)CCCC)(CCCC)CCCC
name:
Dibutyl[[3-[[dibutyl[[2-[(octyloxy)carbonyl]ethyl]thio]stannyl]thio]propionyl]oxy](octyloxy)stannane

inchi:
InChI=1/C11H22O2S.C8H17O.4C4H9.C3H6O2S.2Sn/c1-2-3-4-5-6-7-9-13-11(12)8-10-14;1-2-3-4-5-6-7-8-9;4*1-3-4-2;4-3(5)1-2-6;;/h14H,2-10H2,1H3;2-8H2,1H3;4*1,3-4H2,2H3;6H,1-2H2,(H,4,5);;/q;-1;;;;;;2*+2/p-3/rC38H78O5S2Sn2/c1-7-13-19-21-23-25-29-41-37(39)27-31-44-47(35-17-11-5,36-18-12-6)45-32-28-38(40)43-46(33-15-9-3,34-16-10-4)42-30-26-24-22-20-14-8-2/h7-36H2,1-6H3


name: 6-(4-chloro-2-cyclohexylphenoxy)pyridin-3-amine
cas: 219866-01-0
dtxsid: DTXSID70384147
formula: C17H19ClN2O
inchikey: SCGUDKCEFAZIKN-UHFFFAOYSA-N
norman_susdat_id: NS00098084
smiles: C1CCC(CC1)C2=C(C=CC(=C2)Cl)OC3=NC=C(C=C3)N
inchi:
InChI=1S/C17H19ClN2O/c18-13-6-8-16(21-17-9-7-14(19)11-20-17)15(10-13)12-4-2-1-3-5-12/h6-12H,1-5,19H2


name: 3-(((2S,4S)-4-Sulfanylpyrrolidine-2-carbonyl)amino)benzoic acid hydrochloride
cas: 219909-83-8
chemspiderid: 9295336
dtxsid: DTXSID90176420
formula: C12H14N2O3S1
inchikey: DDRIIBZWSJDJQQ-IYPAPVHQSA-N
norman_susdat_id: NS00027017
pubchem_cid: 11630845
smiles: Cl.OC(=O)c1cc(NC(=O)[C@@H]2C[C@H](S)CN2)ccc1
inchi:
InChI=1S/C12H14N2O3S/c15-11(10-5-9(18)6-13-10)14-8-3-1-2-7(4-8)12(16)17/h1-4,9-10,13,18H,5-6H2,(H,14,15)(H,16,17)/t9-,10+/m1/s1


name: N-[9,10,11-Trimethoxy-3-(phosphonooxy)-6,7-dihydro-5H-dibenzo[a,c][7]annulen-5-yl]ethanimidic acid
cas: 219923-05-4
dtxsid: DTXSID20944593
formula: C20H24NO8P
inchikey: UGBMEXLBFDAOGL-INIZCTEOSA-N
norman_susdat_id: NS00069741
pubchem_cid: 9896434
smiles: COc1cc2c(c(OC)c1OC)-c1ccc(OP(=O)(O)O)cc1[C@@H](NC(C)=O)CC2
inchi:
InChI=1S/C20H24NO8P/c1-11(22)21-16-8-5-12-9-17(26-2)19(27-3)20(28-4)18(12)14-7-6-13(10-15(14)16)29-30(23,24)25/h6-7,9-10,16H,5,8H2,1-4H3,(H,21,22)(H2,23,24,25)/t16-/m0/s1


cas: 219923-85-0
dtxsid: DTXSID80944594
formula: C35H39F2N7O4
inchikey: AEKNYBWUEYNWMJ-QWOOXDRHSA-N
norman_susdat_id: NS00069577
pubchem_cid: 3013050
smiles: CC(C)N1CCN(c2ccc(N3CCN(c4ccc(OC[C@H]5OC[C@](Cn6cncn6)(c6ccc(F)cc6F)O5)cc4)CC3)cc2)C1=O
name:
1-(4-{4-[4-({4-(2,4-Difluorophenyl)-4-[(1H-1,2,4-triazol-1-yl)methyl]-1,3-dioxolan-2-yl}methoxy)phenyl]piperazin-1-yl}phenyl)-3-(propan-2-yl)imidazolidin-2-one

inchi:
InChI=1S/C35H39F2N7O4/c1-25(2)43-17-18-44(34(43)45)29-6-4-27(5-7-29)40-13-15-41(16-14-40)28-8-10-30(11-9-28)46-20-33-47-22-35(48-33,21-42-24-38-23-39-42)31-12-3-26(36)19-32(31)37/h3-12,19,23-25,33H,13-18,20-22H2,1-2H3/t33-,35+/m0/s1


name: Tris[4-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)phenyl]phosphine
cas: 219985-31-6
chemspiderid: 9215708
dtxsid: DTXSID60452864
formula: C42H24F39P1
inchikey: FQHAQDHIVUWHLC-UHFFFAOYSA-N
norman_susdat_id: NS00018853
pubchem_cid: 11040538
inchi:
InChI=1S/C42H24F39P/c43-25(44,28(49,50)31(55,56)34(61,62)37(67,68)40(73,74)75)16-13-19-1-7-22(8-2-19)82(23-9-3-20(4-10-23)14-17-26(45,46)29(51,52)32(57,58)35(63,64)38(69,70)41(76,77)78)24-11-5-21(6-12-24)15-18-27(47,48)30(53,54)33(59,60)36(65,66)39(71,72)42(79,80)81/h1-12H,13-18H2

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCC1=CC=C(C=C1)P(C1=CC=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1)C1=CC=C(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C=C1


name: Ixabepilone
cas: 219989-84-1
chebiid: CHEBI:63605
dtxsid: DTXSID70870252
formula: C27H42N2O5S
inchikey: FABUFPQFXZVHFB-PVYNADRNSA-N
norman_susdat_id: NS00069742
pubchem_cid: 6445540
smiles: C/C(=Cc1csc(C)n1)[C@@H]1C[C@@H]2O[C@]2(C)CCC[C@H](C)[C@H](O)[C@@H](C)C(=O)C(C)(C)[C@@H](O)CC(=O)N1
inchi:
InChI=1S/C27H42N2O5S/c1-15-9-8-10-27(7)22(34-27)12-20(16(2)11-19-14-35-18(4)28-19)29-23(31)13-21(30)26(5,6)25(33)17(3)24(15)32/h11,14-15,17,20-22,24,30,32H,8-10,12-13H2,1-7H3,(H,29,31)/b16-11+/t15-,17+,20-,21-,22-,24-,27+/m0/s1


cas: 22-12-8
chebiid: CHEBI:16556
formula: C20H31N4O16P
inchikey: TXCIAUNLDRJGJZ-BILDWYJOSA-N
norman_susdat_id: NS00070403
pubchem_cid: 448209
name:
2-[({[5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy]-5-acetamido-4-hydroxy-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

inchi:
InChI=1S/C20H31N4O16P/c1-7(26)22-12-8(27)4-20(18(32)33,39-16(12)13(29)9(28)5-25)40-41(35,36)37-6-10-14(30)15(31)17(38-10)24-3-2-11(21)23-19(24)34/h2-3,8-10,12-17,25,27-31H,4-6H2,1H3,(H,22,26)(H,32,33)(H,35,36)(H2,21,23,34)/t8-,9+,10+,12+,13+,14+,15+,16+,17+,20+/m0/s1

smiles:
CC(=O)N[C@@H]1[C@@H](O)C[C@@](O[P@@](=O)(O)OC[C@H]2O[C@@H](n3ccc(N)nc3=O)[C@H](O)[C@@H]2O)(C(=O)O)O[C@H]1[C@H](O)[C@H](O)CO


name: Naphtho(1,2-b)chrysene
cas: 220-77-9
chemspiderid: 60791
dtxsid: DTXSID40176430
formula: C26H16
inchikey: IHQGFGQIOMWFFZ-UHFFFAOYSA-N
norman_susdat_id: NS00027049
pubchem_cid: 67467
smiles: c1cc2c(cc1)c1cc3c(cc1cc2)c1c(cc3)c2ccccc2cc1
inchi:
InChI=1S/C26H16/c1-3-7-21-18(6-1)11-13-24-23(21)14-12-20-15-25-19(16-26(20)24)10-9-17-5-2-4-8-22(17)25/h1-16H


name: Sodium N-(3,4-dimethylisoxazol-5-yl)sulphanilamidate
cas: 2200-44-4
formula: C11H13N3O3S.Na
inchikey: XGZAZJYPRJGHIG-UHFFFAOYSA-N
norman_susdat_id: NS00083038
smiles: Cc1noc(N([Na])S(=O)(=O)c2ccc(N)cc2)c1C
inchi:
InChI=1/C11H12N3O3S.Na/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10;/h3-6H,12H2,1-2H3;/q-1;+1/rC11H12N3NaO3S/c1-7-8(2)13-18-11(7)14(15)19(16,17)10-5-3-9(12)4-6-10/h3-6H,12H2,1-2H3


name: 2-hydroxy-3-(phosphonooxy)propyl myristate
cas: 22002-84-2
dtxsid: DTXSID50944602
formula: C17H35O7P
inchikey: FAZBDRGXCKPVJU-UHFFFAOYSA-N
norman_susdat_id: NS00050466
pubchem_cid: 89565
smiles: O=C(OCC(O)COP(=O)(O)O)CCCCCCCCCCCCC
inchi:
InChI=1/C17H35O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(19)23-14-16(18)15-24-25(20,21)22/h16,18H,2-15H2,1H3,(H2,20,21,22)


name: 2-hydroxy-3-(phosphonooxy)propyl palmitate
cas: 22002-85-3
chebiid: CHEBI:64023
dtxsid: DTXSID10865026
formula: C19H39O7P
inchikey: YNDYKPRNFWPPFU-UHFFFAOYSA-N
norman_susdat_id: NS00049130
pubchem_cid: 89566
smiles: O=C(OCC(O)COP(=O)(O)O)CCCCCCCCCCCCCCC
inchi:
InChI=1/C19H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(21)25-16-18(20)17-26-27(22,23)24/h18,20H,2-17H2,1H3,(H2,22,23,24)


name: 2-hydroxy-3-(phosphonooxy)propyl stearate
cas: 22002-86-4
chebiid: CHEBI:170124
dtxsid: DTXSID10944603
formula: C21H43O7P
inchikey: LAYXSTYJRSVXIH-UHFFFAOYSA-N
norman_susdat_id: NS00049732
pubchem_cid: 89567
smiles: O=C(OCC(O)COP(=O)(O)O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C21H43O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h20,22H,2-19H2,1H3,(H2,24,25,26)


name: 2-hydroxy-3-(phosphonooxy)propyl oleate
cas: 22002-87-5
formula: C21H41O7P
inchikey: WRGQSWVCFNIUNZ-KTKRTIGZSA-N
norman_susdat_id: NS00083794
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)OCC(O)COP(=O)(O)O
inchi:
InChI=1/C21H41O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h9-10,20,22H,2-8,11-19H2,1H3,(H2,24,25,26)


name: 2-hydroxy-3-(phosphonooxy)propyl (9Z,12Z)-octadeca-9,12-dienoate
cas: 22002-88-6
chebiid: CHEBI:170120
formula: C21H39O7P
inchikey: ZQTAMPRZFOOEEP-HZJYTTRNSA-N
norman_susdat_id: NS00050475
pubchem_cid: 20835023
smiles: O=C(OCC(O)COP(=O)(O)O)CCCCCCCC=CCC=CCCCCC
inchi:
InChI=1/C21H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(23)27-18-20(22)19-28-29(24,25)26/h6-7,9-10,20,22H,2-5,8,11-19H2,1H3,(H2,24,25,26)


name: Propanedioic acid, 2-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-, 1,3-dimethyl ester
cas: 220075-01-4
chemspiderid: 23350360
dtxsid: DTXSID80889133
formula: C13H11F13O4
inchikey: LVYNMXGZSWLMOD-UHFFFAOYSA-N
norman_susdat_id: NS00010985
pubchem_cid: 15533907
smiles: C(CC(C(=O)OC)C(=O)OC)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
inchi:
InChI=1S/C13H11F13O4/c1-29-6(27)5(7(28)30-2)3-4-8(14,15)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h5H,3-4H2,1-2H3


name: 3'H-Spiro[4-azabicyclo[2.2.2]octane-2,2'-furo[2,3-b]pyridine]
cas: 220099-91-2
dtxsid: DTXSID40944616
formula: C13H16N2O
inchikey: OCKIPDMKGPYYJS-ZDUSSCGKSA-N
norman_susdat_id: NS00072027
pubchem_cid: 9794392
smiles: c1cnc2c(c1)C[C@@]1(CN3CCC1CC3)O2
inchi:
InChI=1S/C13H16N2O/c1-2-10-8-13(16-12(10)14-5-1)9-15-6-3-11(13)4-7-15/h1-2,5,11H,3-4,6-9H2/t13-/m0/s1


name: 4-MeO-PCP
cas: 2201-35-6
chemspiderid: 10526416
dtxsid: DTXSID40176450
formula: C18H27N1O1
inchikey: MUZGGFNYVLGUFS-UHFFFAOYSA-N
norman_susdat_id: NS00017331
pubchem_cid: 15100753
smiles: COC1=CC=C(C=C1)C2(CCCCC2)N3CCCCC3
inchi:
InChI=1S/C18H27NO/c1-20-17-10-8-16(9-11-17)18(12-4-2-5-13-18)19-14-6-3-7-15-19/h8-11H,2-7,12-15H2,1H3


name: Selamectin
cas: 220119-17-5
chemspiderid: 16738655
dtxsid: DTXSID6045903
formula: C43H63N1O11
inchikey: AFJYYKSVHJGXSN-UHFFFAOYSA-N
norman_susdat_id: NS00008695
pubchem_cid: NA
smiles: COC1CC(OC2C(C)C=CC=C3COC4C(=NO)C(C)=CC(C(=O)OC5CC(CC=C2C)OC2(CCC(C)C(O2)C2CCCCC2)C5)C34O)OC(C)C1O
inchi:
InChI=1S/C43H63NO11/c1-24-11-10-14-30-23-50-40-36(44-48)27(4)19-33(43(30,40)47)41(46)52-32-20-31(16-15-25(2)38(24)53-35-21-34(49-6)37(45)28(5)51-35)54-42(22-32)18-17-26(3)39(55-42)29-12-8-7-9-13-29/h10-11,14-15,19,24,26,28-29,31-35,37-40,45,47-48H,7-9,12-13,16-18,20-23H2,1-6H3


name: imatinib
cas: 220127-57-1
chebiid: CHEBI:45783
chemspiderid: 5101
formula: C29H31N7O1
inchikey: KTUFNOKKBVMGRW-UHFFFAOYSA-N
norman_susdat_id: NS00009172
pubchem_cid: 5291
smiles: CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cccnc3)c2)CC1
inchi:
InChI=1S/C29H31N7O/c1-21-5-10-25(18-27(21)34-29-31-13-11-26(33-29)24-4-3-12-30-19-24)32-28(37)23-8-6-22(7-9-23)20-36-16-14-35(2)15-17-36/h3-13,18-19H,14-17,20H2,1-2H3,(H,32,37)(H,31,33,34)


cas: 220182-27-4
dtxsid: DTXSID60108016
norman_susdat_id: NS00110855
name:
1-Propene, 1,1,2,3,3,3-hexafluoro-, telomer with chlorotrifluoroethene, oxidized, reduced, Et ester, hydrolyzed


name: Benzenesulfonamide, 4-methyl-N-(4-nitrophenyl)-N-(phenylmethyl)-
cas: 22019-64-3
chemspiderid: 80447
dtxsid: DTXSID0066749
formula: C20H18N2O4S1
inchikey: VWPDFYRRQUHOKR-UHFFFAOYSA-N
norman_susdat_id: NS00027026
pubchem_cid: 89151
smiles: Cc1ccc(cc1)S(=O)(=O)N(Cc1ccccc1)c1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C20H18N2O4S/c1-16-7-13-20(14-8-16)27(25,26)21(15-17-5-3-2-4-6-17)18-9-11-19(12-10-18)22(23)24/h2-14H,15H2,1H3


name: Barium pentadecanoate
cas: 2202-23-5
formula: C15H30O2.1/2Ba
inchikey: SMAVZMJUOLUMRL-UHFFFAOYSA-L
norman_susdat_id: NS00083039
smiles: [Ba+2].CCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C15H30O2.Ba/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17;/h2*2-14H2,1H3,(H,16,17);/q;;+2/p-2


name: (Z)-(Perfluorohexyl)ethyl 9-octadecenoate
cas: 220237-47-8
dtxsid: DTXSID20897555
formula: C26H37F13O2
inchikey: VQLCZXOPOODRDY-KTKRTIGZSA-N
norman_susdat_id: NS00109820
smiles: [H]C(CCCCCCCC)=C(/[H])CCCCCCCC(=O)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C26H37F13O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(40)41-19-18-21(27,28)22(29,30)23(31,32)24(33,34)25(35,36)26(37,38)39/h9-10H,2-8,11-19H2,1H3/b10-9-


cas: 220237-52-5
dtxsid: DTXSID90882897
norman_susdat_id: NS00112024
name:
9-Octadecenoic acid (Z-)-, reaction products with 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-pentacosafluoro-1-tetradecanol


name: Benzenesulfonamide, 4-[(4-ethoxyphenyl)amino]-3-nitro-
cas: 22025-44-1
chemspiderid: 80451
dtxsid: DTXSID4066751
formula: C14H15N3O5S1
inchikey: VNBLMPPORJRWNG-UHFFFAOYSA-N
norman_susdat_id: NS00027027
pubchem_cid: 89155
smiles: CCOc1ccc(Nc2c(cc(cc2)S(=O)(=O)N)[N+](=O)[O-])cc1
inchi:
InChI=1S/C14H15N3O5S/c1-2-22-11-5-3-10(4-6-11)16-13-8-7-12(23(15,20)21)9-14(13)17(18)19/h3-9,16H,2H2,1H3,(H2,15,20,21)


name: N,N-Bis(carboxymethyl)-L-glutamic acid
cas: 220253-76-9
dtxsid: DTXSID10595775
formula: C9H13NO8
inchikey: VCVKIIDXVWEWSZ-YFKPBYRVSA-N
norman_susdat_id: NS00075567
smiles: OC(=O)CC[C@H](N(CC(O)=O)CC(O)=O)C(O)=O
inchi:
InChI=1S/C9H13NO8/c11-6(12)2-1-5(9(17)18)10(3-7(13)14)4-8(15)16/h5H,1-4H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)/t5-/m0/s1


name: N-[2-[N-ethyl-4-[[6-(methylsulphonyl)benzothiazol-2-yl]azo]-m-toluidino]ethyl]phthalimide
cas: 2203-01-2
dtxsid: DTXSID7062249
formula: C27H25N5O4S2
inchikey: YBURDRPVRFXIBD-UHFFFAOYSA-N
norman_susdat_id: NS00048837
pubchem_cid: 75150
smiles: O=C1C=2C=CC=CC2C(=O)N1CCN(C3=CC=C(N=NC4=NC=5C=CC(=CC5S4)S(=O)(=O)C)C(=C3)C)CC
inchi:
InChI=1/C27H25N5O4S2/c1-4-31(13-14-32-25(33)20-7-5-6-8-21(20)26(32)34)18-9-11-22(17(2)15-18)29-30-27-28-23-12-10-19(38(3,35)36)16-24(23)37-27/h5-12,15-16H,4,13-14H2,1-3H3


name: Cortisol 21-hemisuccinate
cas: 2203-97-6
chebiid: CHEBI:31677
chemspiderid: 3517
dtxsid: DTXSID40872905
formula: C25H34O8
inchikey: VWQWXZAWFPZJDA-CGVGKPPMSA-N
norman_susdat_id: NS00015393
pubchem_cid: 16623
smiles: CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CCC(=O)O)O)C)O
inchi:
InChI=1S/C25H34O8/c1-23-9-7-15(26)11-14(23)3-4-16-17-8-10-25(32,24(17,2)12-18(27)22(16)23)19(28)13-33-21(31)6-5-20(29)30/h11,16-18,22,27,32H,3-10,12-13H2,1-2H3,(H,29,30)/t16-,17-,18-,22+,23-,24-,25-/m0/s1


name: Ethyl
cas: 220355-63-5
formula: C32H47N5O5S
inchikey: ISJSHQTWOHGCMM-NDEPHWFRSA-N
norman_susdat_id: NS00069887
pubchem_cid: 9895193
smiles: CCOC(=O)N1CCN(C(=O)[C@H](Cc2cccc(C(=N)N)c2)NS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)CC1
inchi:
InChI=1S/C32H47N5O5S/c1-8-42-32(39)37-14-12-36(13-15-37)31(38)28(17-23-10-9-11-24(16-23)30(33)34)35-43(40,41)29-26(21(4)5)18-25(20(2)3)19-27(29)22(6)7/h9-11,16,18-22,28,35H,8,12-15,17H2,1-7H3,(H3,33,34)/t28-/m0/s1


name: Ethylenediamine tetrakis(methylene phosphonic acid)
cas: 22036-77-7
chemspiderid: 14301
dtxsid: DTXSID3061689
formula: C6H20N2O12P4
inchikey: NFDRPXJGHKJRLJ-UHFFFAOYSA-N
norman_susdat_id: NS00009310
pubchem_cid: 15025
smiles: OP(O)(=O)CN(CCN(CP(O)(O)=O)CP(O)(O)=O)CP(O)(O)=O
inchi:
InChI=1S/C6H20N2O12P4/c9-21(10,11)3-7(4-22(12,13)14)1-2-8(5-23(15,16)17)6-24(18,19)20/h1-6H2,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)


name: Spiro[6H-3a,7-methanoazulene-6,2'-oxirane], octahydro-3,8,8-trimethyl-, (2'R,3R,3aS,7R,8aS)-
cas: 22037-88-3
chemspiderid: 21172830
dtxsid: DTXSID80885190
formula: C15H24O1
inchikey: BWDPPCMUUFETAC-UHFFFAOYSA-N
norman_susdat_id: NS00013080
pubchem_cid: 53461886
smiles: C[C@@H]1CC[C@H]2C(C)(C)[C@H]3C[C@@]12CC[C@]34CO4
inchi:
InChI=1S/C15H24O/c1-10-4-5-11-13(2,3)12-8-14(10,11)6-7-15(12)9-16-15/h10-12H,4-9H2,1-3H3/t10-,11+,12-,14+,15+/m1/s1


name: 4-(1-Methyl-1-phenylethyl)-N-(4-(1-methyl-1-phenylethyl)phenyl)-N-nitrosoaniline
cas: 22038-40-0
chemspiderid: 80461
dtxsid: DTXSID70176509
formula: C30H30N2O1
inchikey: DFFUDDIDAFAXEC-UHFFFAOYSA-N
norman_susdat_id: NS00027032
pubchem_cid: 89165
smiles: CC(C)(c1ccccc1)c1ccc(cc1)N(N=O)c1ccc(cc1)C(C)(C)c1ccccc1
inchi:
InChI=1S/C30H30N2O/c1-29(2,23-11-7-5-8-12-23)25-15-19-27(20-16-25)32(31-33)28-21-17-26(18-22-28)30(3,4)24-13-9-6-10-14-24/h5-22H,1-4H3


name: trisodium 3-amino-4-[(E)-(4-amino-2-sulfonatophenyl)diazenyl]-5-hydroxynaphthalene-2,7-disulfonate
cas: 220380-44-9
inchikey: CXHUPKAUTQEQLU-YNIPROTPSA-H
norman_susdat_id: NS00077231
smiles:
O=S(C2=C(N)C(/N=N/C3=CC=C(N)C=C3S(=O)([O-])=O)=C1C(O)=CC(S(=O)([O-])=O)=CC1=C2)(O)=O.O=S(C5=C(N)C(/N=N/C6=CC=C(N)C=C6S(=O)([O-])=O)=C4C(O)=CC(S(=O)([O-])=O)=CC4=C5)(O)=O.O=S(C8=C(N)C(/N=N/C9=CC=C(N)C=C9S(=O)([O-])=O)=C7C(O)=CC(S(=O)([O-])=O)=CC7=C8)(O)=O.[Na+].[Na+].[Na+]


name: Thiophene-2
cas: 220402-80-2
formula: C12H14N2O4S3
inchikey: GUNRMHMEAWSZQE-UHFFFAOYSA-N
norman_susdat_id: NS00068982
pubchem_cid: 444607
smiles: Cc1ccc(CNS(=O)(=O)c2ccc(S(N)(=O)=O)s2)cc1
inchi:
InChI=1S/C12H14N2O4S3/c1-9-2-4-10(5-3-9)8-14-21(17,18)12-7-6-11(19-12)20(13,15)16/h2-7,14H,8H2,1H3,(H2,13,15,16)


name: AL7089A
cas: 220402-83-5
dtxsid: DTXSID20388458
formula: C14H17N3O5S3
inchikey: RMOXCYSVWCHXII-LBPRGKRZSA-N
norman_susdat_id: NS00069435
pubchem_cid: 3013848
smiles: CN[C@H]1CN(c2cccc(OC)c2)S(=O)(=O)c2sc(S(N)(=O)=O)cc21
inchi:
InChI=1S/C14H17N3O5S3/c1-16-12-8-17(9-4-3-5-10(6-9)22-2)25(20,21)14-11(12)7-13(23-14)24(15,18)19/h3-7,12,16H,8H2,1-2H3,(H2,15,18,19)/t12-/m0/s1


name: [[(phosphonomethyl)imino]bis[(ethylenenitrilo)bis(methylene)]]tetrakisphosphonic acid, sodium salt
cas: 22042-96-2
dtxsid: DTXSID2029321
inchikey: DUYCTCQXNHFCSJ-UHFFFAOYSA-M
norman_susdat_id: NS00076478
pubchem_cid: 139594814
smiles: C(CN(CP(=O)(O)O)CP(=O)(O)O)N(CCN(CP(=O)(O)O)CP(=O)(O)[O-])CP(=O)(O)O
inchi:
InChI=1S/C9H28N3O15P5/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)/p-1


cas: 220459-70-1
dtxsid: DTXSID40882807
norman_susdat_id: NS00110304
name:
Glycine, N,N-bis2-hydroxy-3-(2-propenyloxy)propyl-, monosodium salt, reaction products with ammonium hydroxide and pentafluoroiodoethane-tetrafluoroethylene telomer


name: 2-ethylhexyl stearate
cas: 22047-49-0
dtxsid: DTXSID9047178
formula: C26H52O2
inchikey: OPJWPPVYCOPDCM-UHFFFAOYSA-N
norman_susdat_id: NS00049187
pubchem_cid: 13132266
smiles: O=C(OCC(CC)CCCC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/C26H52O2/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-23-26(27)28-24-25(6-3)22-8-5-2/h25H,4-24H2,1-3H3


name: 1-(1-L-alanyl-L-prolyl)-L-proline
cas: 22049-75-8
chebiid: CHEBI:158470
dtxsid: DTXSID60944673
formula: C13H21N3O4
inchikey: OLVCTPPSXNRGKV-GUBZILKMSA-N
norman_susdat_id: NS00050520
pubchem_cid: 11558265
smiles: O=C(O)C1N(C(=O)C2N(C(=O)C(N)C)CCC2)CCC1
inchi:
InChI=1/C13H21N3O4/c1-8(14)11(17)15-6-2-4-9(15)12(18)16-7-3-5-10(16)13(19)20/h8-10H,2-7,14H2,1H3,(H,19,20)


name: 1,4,7-triazonanetriium sulfate (2:3)
cas: 220493-36-7
inchikey: GJTUJRJZMABUEY-UHFFFAOYSA-N
norman_susdat_id: NS00078229
smiles:
[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.[O-]S([O-])(=O)=O.C1C[NH2+]CC[NH2+]CC[NH2+]1.C1C[NH2+]CC[NH2+]CC[NH2+]1


name: R-N-FMOC-(2-furyl)alanine
cas: 220497-85-8
chemspiderid: 2016203
formula: C22H19N1O5
inchikey: AJXDCHXGNUFBRC-HXUWFJFHSA-N
norman_susdat_id: NS00015338
pubchem_cid: 16211163
smiles: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC=CO4)C(=O)O
inchi:
InChI=1S/C22H19NO5/c24-21(25)20(12-14-6-5-11-27-14)23-22(26)28-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-11,19-20H,12-13H2,(H,23,26)(H,24,25)/t20-/m1/s1


name: Tiomesterone
cas: 2205-73-4
chebiid: CHEBI:135733
chemspiderid: 15763
dtxsid: DTXSID50176527
formula: C24H34O4S2
inchikey: YUOZKOLALXNELS-SQVYRKCQSA-N
norman_susdat_id: NS00027037
pubchem_cid: 16626
smiles: CC(=O)S[C@@H]1CC2=CC(=O)C[C@H](SC(=O)C)[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]3(C)O)[C@H]12
inchi:
InChI=1S/C24H34O4S2/c1-13(25)29-19-11-15-10-16(27)12-20(30-14(2)26)24(15,5)18-6-8-22(3)17(21(18)19)7-9-23(22,4)28/h10,17-21,28H,6-9,11-12H2,1-5H3/t17-,18-,19+,20-,21-,22-,23-,24-/m0/s1


name: Ls-101430
cas: 220619-73-8
formula: C24H32O2
inchikey: BOOOLEGQBVUTKC-NVQSDHBMSA-N
norman_susdat_id: NS00068655
pubchem_cid: 9863341
smiles: CC(/C=C/[C@@H]1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=CC(=O)O
inchi:
InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+/t18-,24-/m1/s1


name: Tigecycline
cas: 220620-09-7
chebiid: CHEBI:149836
chemspiderid: 10482314
dtxsid: DTXSID2048581
formula: C29H39N5O8
inchikey: FPZLLRFZJZRHSY-HJYUBDRYSA-N
norman_susdat_id: NS00011897
pubchem_cid: NA
inchi:
InChI=1S/C29H39N5O8/c1-28(2,3)31-11-17(35)32-15-10-16(33(4)5)13-8-12-9-14-21(34(6)7)24(38)20(27(30)41)26(40)29(14,42)25(39)18(12)23(37)19(13)22(15)36/h10,12,14,21,31,36,38-39,42H,8-9,11H2,1-7H3,(H2,30,41)(H,32,35)/t12-,14-,21-,29-/m0/s1

smiles:
CC(C)(C)NCC(=O)NC1=CC(=C2C[C@H]3C[C@H]4[C@@H](C(=C(C(=O)[C@]4(C(=C3C(=O)C2=C1O)O)O)C(=O)N)O)N(C)C)N(C)C


name: 4-(5,11-DIOXO-5H-INDENO[1,2-C]ISOQUINOLIN-6(11H)-YL)BUTANOATE
cas: 220627-87-2
dtxsid: DTXSID70415344
formula: C20H15NO4
inchikey: AHIJTWCJGCWHMT-UHFFFAOYSA-N
norman_susdat_id: NS00068174
pubchem_cid: 5288720
smiles: O=C(O)CCCn1c2c(c3ccccc3c1=O)C(=O)c1ccccc1-2
inchi:
InChI=1S/C20H15NO4/c22-16(23)10-5-11-21-18-13-7-2-3-8-14(13)19(24)17(18)12-6-1-4-9-15(12)20(21)25/h1-4,6-9H,5,10-11H2,(H,22,23)


name: Tetrabutylphosphonium perfluorobutanesulfonate
cas: 220689-12-3
dtxsid: DTXSID40881850
formula: C20H37F9O3PS
inchikey: GNGSGTMPCKIWJL-UHFFFAOYSA-M
norman_susdat_id: NS00110263
smiles: CCCC[PH+](CCCC)(CCCC)CCCC.[O-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C16H37P.C4HF9O3S/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16/h17H,5-16H2,1-4H3;(H,14,15,16)/q+1;/p-1


name: 12'-hydroxy-2',5'a-diisopropylergotaman-3',6',18-trione methanesulphonate
cas: 2207-69-4
formula: C31H39N5O5.xCH4O3S
inchikey: JSSWJSBXBKEBMS-CWNVUFIVSA-N
norman_susdat_id: NS00083357
inchi:
InChI=1/C31H39N5O5.CH4O3S/c1-16(2)26-28(38)35-11-7-10-24(35)31(40)36(26)29(39)30(41-31,17(3)4)33-27(37)19-12-21-20-8-6-9-22-25(20)18(14-32-22)13-23(21)34(5)15-19;1-5(2,3)4/h6,8-9,12,14,16-17,19,23-24,26,32,40H,7,10-11,13,15H2,1-5H3,(H,33,37);1H3,(H,2,3,4)

smiles:
CC(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.CS(=O)(=O)O


name: (3-Benzoyl-2-methoxyphenyl)acetic acid
cas: 22071-32-5
chemspiderid: 80856
dtxsid: DTXSID30176565
formula: C16H14O4
inchikey: OTSCNWKNPQLUII-UHFFFAOYSA-N
norman_susdat_id: NS00027045
pubchem_cid: 89587
smiles: COc1c(CC(=O)O)cccc1C(=O)c1ccccc1
inchi:
InChI=1S/C16H14O4/c1-20-16-12(10-14(17)18)8-5-9-13(16)15(19)11-6-3-2-4-7-11/h2-9H,10H2,1H3,(H,17,18)


cas: 220713-37-1
dtxsid: DTXSID40897633
norman_susdat_id: NS00110508
name:
2-Propenoic acid, 2-methyl-, 2-aziridinyl ester, polymer with α-fluoro-ω-[2-[(1-oxo-2-propenyl)oxy]ethyl]poly(difluoromethylene) and phenylmethyl 2-methyl-2-propenoate (9CI)


cas: 220713-74-6
dtxsid: DTXSID60897630
norman_susdat_id: NS00111187
name:
2-Propenoic acid, 2-methyl-, 2-aziridinyl ester, polymer with α-fluoro-ω-[[(2-methyl-1-oxo-2-propenyl)oxy]methyl]poly(difluoromethylene) and octadecyl 2-methyl-2-propenoate (9CI)


cas: 220713-85-9
dtxsid: DTXSID50897624
norman_susdat_id: NS00110844
name:
2-Propenoic acid, 2-methyl-, 2-aziridinyl ester, polymer with 1,1-dimethylethyl 2-methyl-2-propenoate and α-fluoro-ω-[[(2-methyl-1-oxo-2-propenyl)oxy]methyl]poly(difluoromethylene) (9CI)


name: Dnc000205
cas: 220792-57-4
formula: C19H26ClN7O
inchikey: RAMROQQYRRQPDL-OAHLLOKOSA-N
norman_susdat_id: NS00071512
pubchem_cid: 6914609
smiles: CC(C)[C@@H](CO)Nc1nc(Nc2cc(N)cc(Cl)c2)c2ncn(C(C)C)c2n1
inchi:
InChI=1S/C19H26ClN7O/c1-10(2)15(8-28)24-19-25-17(23-14-6-12(20)5-13(21)7-14)16-18(26-19)27(9-22-16)11(3)4/h5-7,9-11,15,28H,8,21H2,1-4H3,(H2,23,24,25,26)/t15-/m1/s1


name: 2-Naphthalenecarboxamide, 3-hydroxy-N-(4-nitrophenyl)-
cas: 2208-20-0
chemspiderid: 67708
dtxsid: DTXSID6062252
formula: C17H12N2O4
inchikey: ANHISTOUUYKCMS-UHFFFAOYSA-N
norman_susdat_id: NS00027053
pubchem_cid: 75160
smiles: Oc1cc2ccccc2cc1C(=O)Nc1ccc(cc1)[N+](=O)[O-]
inchi:
InChI=1S/C17H12N2O4/c20-16-10-12-4-2-1-3-11(12)9-15(16)17(21)18-13-5-7-14(8-6-13)19(22)23/h1-10,20H,(H,18,21)


name: 6-Hydroxymelatonin
cas: 2208-41-5
chebiid: CHEBI:2198
chemspiderid: 1794
dtxsid: DTXSID00176577
formula: C13H16N2O3
inchikey: OMYMRCXOJJZYKE-UHFFFAOYSA-N
norman_susdat_id: NS00014766
pubchem_cid: 1864
smiles: CC(=O)NCCC1=CNC2=CC(=C(C=C21)OC)O
inchi:
InChI=1S/C13H16N2O3/c1-8(16)14-4-3-9-7-15-11-6-12(17)13(18-2)5-10(9)11/h5-7,15,17H,3-4H2,1-2H3,(H,14,16)


name: Metrafenone
cas: 220899-03-6
chebiid: CHEBI:83345
chemspiderid: 4953549
dtxsid: DTXSID9058020
formula: C19H21Br1O5
inchikey: AMSPWOYQQAWRRM-UHFFFAOYSA-N
norman_susdat_id: NS00000497
pubchem_cid: 6451057
smiles: Brc2ccc(OC)c(C(=O)c1c(cc(OC)c(OC)c1OC)C)c2C
inchi:
InChI=1S/C19H21BrO5/c1-10-9-14(23-4)18(24-5)19(25-6)15(10)17(21)16-11(2)12(20)7-8-13(16)22-3/h7-9H,1-6H3


name: 3,3-bis(1-ethyl-2-methyl-1H-indol-3-yl)phthalide
cas: 22091-92-5
dtxsid: DTXSID4066757
formula: C30H28N2O2
inchikey: CONFUNYOPVYVDC-UHFFFAOYSA-N
norman_susdat_id: NS00049797
pubchem_cid: 89595
smiles: O=C1OC(C=2C=CC=CC12)(C=3C=4C=CC=CC4N(C3C)CC)C=5C=6C=CC=CC6N(C5C)CC
inchi:
InChI=1/C30H28N2O2/c1-5-31-19(3)27(22-14-8-11-17-25(22)31)30(24-16-10-7-13-21(24)29(33)34-30)28-20(4)32(6-2)26-18-12-9-15-23(26)28/h7-18H,5-6H2,1-4H3


name: AR-67
cas: 220913-32-6
dtxsid: DTXSID00176592
formula: C26H30N2O5Si
inchikey: XUSKJHCMMWAAHV-SANMLTNESA-N
norman_susdat_id: NS00073563
pubchem_cid: 6712744
smiles: CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1ccc(O)cc1c2[Si](C)(C)C(C)(C)C
inchi:
InChI=1S/C26H30N2O5Si/c1-7-26(32)18-11-20-21-16(12-28(20)23(30)17(18)13-33-24(26)31)22(34(5,6)25(2,3)4)15-10-14(29)8-9-19(15)27-21/h8-11,29,32H,7,12-13H2,1-6H3/t26-/m0/s1


cas: 22094-93-5
chemspiderid: 80866
dtxsid: DTXSID20865032
formula: C36H32Cl4N6O4
inchikey: GPWXTTPSHZOIKO-UHFFFAOYSA-N
norman_susdat_id: NS00004727
pubchem_cid: 89597
smiles: CC(=O)C(N=Nc1cc(Cl)c(cc1Cl)-c1cc(Cl)c(cc1Cl)N=NC(C(C)=O)C(=O)Nc1ccc(C)cc1C)C(=O)Nc1ccc(C)cc1C
name:
Butanamide, 2,2'-[(2,2',5,5'-tetrachloro[1,1'-biphenyl]-4,4'-diyl)bis(2,1-diazenediyl)]bis[N-(2,4-dimethylphenyl)-3-oxo-

inchi:
InChI=1S/C36H32Cl4N6O4/c1-17-7-9-29(19(3)11-17)41-35(49)33(21(5)47)45-43-31-15-25(37)23(13-27(31)39)24-14-28(40)32(16-26(24)38)44-46-34(22(6)48)36(50)42-30-10-8-18(2)12-20(30)4/h7-16,33-34H,1-6H3,(H,41,49)(H,42,50)


cas: 22094-98-0
formula: C21H21N3O15S4
inchikey: SBUCRPOEIUCKIJ-UHFFFAOYSA-K
norman_susdat_id: NS00049820
pubchem_cid: 90216
name:
Trisodium 5-(acetylamino)-4-hydroxy-3-[[4-methoxy-3-[[2-(sulphonatooxy)ethyl]sulphonyl]phenyl]azo]naphthalene-2,7-disulphonate

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

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


name: Nevirapine hemihydrate
cas: 220988-26-1
dtxsid: DTXSID30176606
formula: C30H30N8O3
inchikey: KMTLSXAXTLQBKJ-UHFFFAOYSA-N
norman_susdat_id: NS00076248
smiles: O.CC1=C2NC(=O)C3=C(N=CC=C3)N(C3CC3)C2=NC=C1.CC1=C2NC(=O)C3=C(N=CC=C3)N(C3CC3)C2=NC=C1
inchi:
InChI=1S/2C15H14N4O.H2O/c2*1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10;/h2*2-3,6-8,10H,4-5H2,1H3,(H,18,20);1H2


name: Lumiracoxib
cas: 220991-20-8
chebiid: CHEBI:73044
chemspiderid: 133236
dtxsid: DTXSID9049035
formula: C15H13Cl1F1N1O2
inchikey: KHPKQFYUPIUARC-UHFFFAOYSA-N
norman_susdat_id: NS00007961
pubchem_cid: 151166
smiles: Cc1ccc(Nc2c(F)cccc2Cl)c(CC(O)=O)c1
inchi:
InChI=1S/C15H13ClFNO2/c1-9-5-6-13(10(7-9)8-14(19)20)18-15-11(16)3-2-4-12(15)17/h2-7,18H,8H2,1H3,(H,19,20)


name: Robenacoxib
cas: 220991-32-2
chebiid: CHEBI:76269
dtxsid: DTXSID90176607
formula: C16H13F4NO2
inchikey: ZEXGDYFACFXQPF-UHFFFAOYSA-N
norman_susdat_id: NS00068133
pubchem_cid: 6433107
smiles: CCc1ccc(Nc2c(F)c(F)cc(F)c2F)c(CC(=O)O)c1
inchi:
InChI=1S/C16H13F4NO2/c1-2-8-3-4-12(9(5-8)6-13(22)23)21-16-14(19)10(17)7-11(18)15(16)20/h3-5,7,21H,2,6H2,1H3,(H,22,23)


name: (2-hydroxyethyl)ammonium palmitate
cas: 2210-62-0
formula: C16H32O2.C2H7NO
inchikey: AXAURZWPEBQDNG-UHFFFAOYSA-N
norman_susdat_id: NS00083382
smiles: CCCCCCCCCCCCCCCC(=O)[O-].[NH3+]CCO
inchi:
InChI=1/C16H32O2.C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;3-1-2-4/h2-15H2,1H3,(H,17,18);4H,1-3H2


name: N-(2,6-dimethylphenyl)pyrrolidine-1-acetamide monohydrochloride
cas: 2210-64-2
dtxsid: DTXSID00944738
formula: C14H20N2O
inchikey: FOZDSRIRBNRBDI-UHFFFAOYSA-N
norman_susdat_id: NS00048895
pubchem_cid: 24361
smiles: Cl.O=C(NC=1C(=CC=CC1C)C)CN2CCCC2
inchi:
InChI=1/C14H20N2O.ClH/c1-11-6-5-7-12(2)14(11)15-13(17)10-16-8-3-4-9-16;/h5-7H,3-4,8-10H2,1-2H3,(H,15,17);1H


name: Bufeniode
cas: 22103-14-6
chebiid: CHEBI:135827
formula: C19H23I2NO2
inchikey: RFIXURDMUINBMD-UHFFFAOYSA-N
norman_susdat_id: NS00049847
pubchem_cid: 72087
smiles: IC=1C=C(C=C(I)C1O)C(O)C(NC(C)CCC=2C=CC=CC2)C
inchi:
InChI=1/C19H23I2NO2/c1-12(8-9-14-6-4-3-5-7-14)22-13(2)18(23)15-10-16(20)19(24)17(21)11-15/h3-7,10-13,18,22-24H,8-9H2,1-2H3


name: (R)-Equol
cas: 221054-79-1
chebiid: CHEBI:156169
formula: C15H14O3
inchikey: ADFCQWZHKCXPAJ-LBPRGKRZSA-N
norman_susdat_id: NS00096462
smiles: C1C(COC2=C1C=CC(=C2)O)C3=CC=C(C=C3)O
inchi:
InChI=1S/C15H14O3/c16-13-4-1-10(2-5-13)12-7-11-3-6-14(17)8-15(11)18-9-12/h1-6,8,12,16-17H,7,9H2/t12-/m0/s1


name: 2-Methylnaphthalene-1,4-diyl dibenzoate
cas: 2211-31-6
chemspiderid: 67714
dtxsid: DTXSID10176624
formula: C25H18O4
inchikey: BVVDINJVWBJRHY-UHFFFAOYSA-N
norman_susdat_id: NS00027059
pubchem_cid: 75166
smiles: Cc1cc(OC(=O)c2ccccc2)c2ccccc2c1OC(=O)c1ccccc1
inchi:
InChI=1S/C25H18O4/c1-17-16-22(28-24(26)18-10-4-2-5-11-18)20-14-8-9-15-21(20)23(17)29-25(27)19-12-6-3-7-13-19/h2-16H,1H3


name: Sodium 4-dodecylbenzenesulphonate
cas: 2211-98-5
dtxsid: DTXSID9042413
formula: C18H30O3S.Na
inchikey: JHJUUEHSAZXEEO-UHFFFAOYSA-M
norman_susdat_id: NS00083056
smiles: [Na+].CCCCCCCCCCCCc1ccc(cc1)S(=O)(=O)[O-]
inchi:
InChI=1/C18H30O3S.Na/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,(H,19,20,21);/q;+1/p-1


name: 4-(2-dodecanyl)benzenesulfonic acid
cas: 2211-99-6
chemspiderid: 15786
formula: C18H30O3S1
inchikey: CJTZDYDOPZRFTF-UHFFFAOYSA-N
norman_susdat_id: NS00006760
pubchem_cid: 16649
smiles: CCCCCCCCCCC(C)c1ccc(cc1)S(O)(=O)=O
inchi:
InChI=1S/C18H30O3S/c1-3-4-5-6-7-8-9-10-11-16(2)17-12-14-18(15-13-17)22(19,20)21/h12-16H,3-11H2,1-2H3,(H,19,20,21)


name: GW 406381
cas: 221148-46-5
dtxsid: DTXSID60202043
formula: C21H19N3O3S
inchikey: NXMZBNYLCVTRGB-UHFFFAOYSA-N
norman_susdat_id: NS00068319
smiles: CCOc1ccc(-c2nn3ncccc3c2-c2ccc(S(C)(=O)=O)cc2)cc1
inchi:
InChI=1S/C21H19N3O3S/c1-3-27-17-10-6-16(7-11-17)21-20(19-5-4-14-22-24(19)23-21)15-8-12-18(13-9-15)28(2,25)26/h4-14H,3H2,1-2H3


name: Pride
cas: 221180-26-3
dtxsid: DTXSID00870220
formula: C14H20ClN3O3
inchikey: OMLDMGPCWMBPAN-YPMHNXCESA-N
norman_susdat_id: NS00068289
pubchem_cid: 216236
smiles: COc1cc(N)c(Cl)cc1C(=O)N[C@@H]1CCNC[C@@H]1OC
inchi:
InChI=1S/C14H20ClN3O3/c1-20-12-6-10(16)9(15)5-8(12)14(19)18-11-3-4-17-7-13(11)21-2/h5-6,11,13,17H,3-4,7,16H2,1-2H3,(H,18,19)/t11-,13+/m1/s1


name: Sodium 4-(6-dodecyl)benzenesulfonate
cas: 2212-52-4
dtxsid: DTXSID90872899
formula: C18H29NaO3S
inchikey: BTOWBMRQUJCRTH-UHFFFAOYSA-M
norman_susdat_id: NS00114371
inchi:
InChI=1/C18H30O3S.Na/c1-3-5-7-9-11-16(10-8-6-4-2)17-12-14-18(15-13-17)22(19,20)21;/h12-16H,3-11H2,1-2H3,(H,19,20,21);/q;+1/p-1


name: Dodecylammonium (o,p-dichlorophenoxy)acetate
cas: 2212-54-6
formula: C12H27N.C8H6Cl2O3
inchikey: GDOSCZDDZQGBAJ-UHFFFAOYSA-N
norman_susdat_id: NS00083057
smiles: CCCCCCCCCCCC[NH3+].[O-]C(=O)COc1ccc(Cl)cc1Cl
inchi:
InChI=1/C12H27N.C8H6Cl2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13;9-5-1-2-7(6(10)3-5)13-4-8(11)12/h2-13H2,1H3;1-3H,4H2,(H,11,12)


name: N2-[(phenylmethoxy)carbonyl]-L-lysine
cas: 2212-75-1
dtxsid: DTXSID00883810
formula: C14H20N2O4
inchikey: OJTJKAUNOLVMDX-LBPRGKRZSA-N
norman_susdat_id: NS00048249
pubchem_cid: NA
smiles: O=C(OCC=1C=CC=CC1)NC(C(=O)O)CCCCN
inchi:
InChI=1/C14H20N2O4/c15-9-5-4-8-12(13(17)18)16-14(19)20-10-11-6-2-1-3-7-11/h1-3,6-7,12H,4-5,8-10,15H2,(H,16,19)(H,17,18)


name: N2-[(benzyloxy)carbonyl]-N6-(tert-butoxycarbonyl)-L-lysine, compound with dicyclohexylamine (1:1)
cas: 2212-76-2
formula: C19H28N2O6.C12H23N
inchikey: VTDLJMATIHSOTR-RSAXXLAASA-N
norman_susdat_id: NS00083065
smiles: CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O.C2CCC(CC2)NC3CCCCC3
inchi:
InChI=1/C19H28N2O6.C12H23N/c1-19(2,3)27-17(24)20-12-8-7-11-15(16(22)23)21-18(25)26-13-14-9-5-4-6-10-14;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23);11-13H,1-10H2


cas: 2212-77-3
dtxsid: DTXSID20896265
formula: C24H4Cl4F30O4
inchikey: MYYIQTVLQVKKEC-UHFFFAOYSA-N
norman_susdat_id: NS00109749
name:
Bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctyl) 3,4,5,6-tetrachlorobenzene-1,2-dicarboxylate

inchi:
InChI=1S/C24H4Cl4F30O4/c25-5-3(9(59)61-1-11(29,30)13(33,34)15(37,38)17(41,42)19(45,46)21(49,50)23(53,54)55)4(6(26)8(28)7(5)27)10(60)62-2-12(31,32)14(35,36)16(39,40)18(43,44)20(47,48)22(51,52)24(56,57)58/h1-2H2

smiles:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)COC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F


name: Palmitoyl tetrapeptide-7
cas: 221227-05-0
dtxsid: DTXSID10176644
formula: C34H62N8O7
inchikey: IHRKJQSLKLYWBQ-QKDODKLFSA-N
norman_susdat_id: NS00073471
pubchem_cid: 10078408
smiles: CCCCCCCCCCCCCCCC(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
inchi:
InChI=1S/C34H62N8O7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-29(44)39-24-30(45)40-25(20-21-28(35)43)32(47)42-23-16-18-27(42)31(46)41-26(33(48)49)17-15-22-38-34(36)37/h25-27H,2-24H2,1H3,(H2,35,43)(H,39,44)(H,40,45)(H,41,46)(H,48,49)(H4,36,37,38)/t25-,26-,27-/m0/s1


name: Butalamine
cas: 22131-35-7
chebiid: CHEBI:135354
chemspiderid: 28712
dtxsid: DTXSID1022710
formula: C18H28N4O1
inchikey: VYWQZAARVNRSTR-UHFFFAOYSA-N
norman_susdat_id: NS00007959
pubchem_cid: 30949
smiles: CCCCN(CCCC)CCNc1nc(no1)-c1ccccc1
inchi:
InChI=1S/C18H28N4O/c1-3-5-13-22(14-6-4-2)15-12-19-18-20-17(21-23-18)16-10-8-7-9-11-16/h7-11H,3-6,12-15H2,1-2H3,(H,19,20,21)


name: 7-amino-4-hydroxy-3-[(2-sulphophenyl)azo]naphthalene-2-sulphonic acid
cas: 22136-09-0
dtxsid: DTXSID8066763
formula: C16H13N3O7S2
inchikey: WJBNEMQYSHMDPS-UHFFFAOYSA-N
norman_susdat_id: NS00050577
pubchem_cid: 89608
smiles: O=S(=O)(O)C=1C=CC=CC1N=NC=2C(O)=C3C=CC(N)=CC3=CC2S(=O)(=O)O
inchi:
InChI=1/C16H13N3O7S2/c17-10-5-6-11-9(7-10)8-14(28(24,25)26)15(16(11)20)19-18-12-3-1-2-4-13(12)27(21,22)23/h1-8,20H,17H2,(H,21,22,23)(H,24,25,26)


name: a-[2-(dimethylamino)-1-methylethyl]-a-phenylphenethyl alcohol hydrochloride
cas: 2214-28-0
formula: C19H25NO.ClH
inchikey: WRHOJMZRFAKSSV-UHFFFAOYSA-N
norman_susdat_id: NS00083360
smiles: Cl.CC(CN(C)C)C(O)(Cc1ccccc1)c2ccccc2
inchi:
InChI=1/C19H25NO.ClH/c1-16(15-20(2)3)19(21,18-12-8-5-9-13-18)14-17-10-6-4-7-11-17;/h4-13,16,21H,14-15H2,1-3H3;1H


cas: 22144-76-9
formula: C30H37NO6
inchikey: NAIODHJWOHMDJX-UHFFFAOYSA-N
norman_susdat_id: NS00049865
pubchem_cid: 2926
smiles: O=C(OC1C=CC(O)(C(=O)C(C)CC=CC2C(O)C(=C(C)C3C(NC(=O)C123)CC=4C=CC=CC4)C)C)C
name:
7(S),18-dihydroxy-16(S),18(R)-dimethyl-10-phenyl[11]cytochalasa-5,13(E),19(E)-triene-1,17-dione 21(R)-acetate

inchi:
InChI=1/C30H37NO6/c1-17-10-9-13-22-26(33)19(3)18(2)25-23(16-21-11-7-6-8-12-21)31-28(35)30(22,25)24(37-20(4)32)14-15-29(5,36)27(17)34/h6-9,11-15,17,22-26,33,36H,10,16H2,1-5H3,(H,31,35)


name: Cytochalasin D
cas: 22144-77-0
chemspiderid: 4572382
dtxsid: DTXSID8037099
formula: C30H37N1O6
inchikey: SDZRWUKZFQQKKV-JHADDHBZSA-N
norman_susdat_id: NS00011653
pubchem_cid: 5458428
inchi:
InChI=1S/C30H37NO6/c1-17-10-9-13-22-26(33)19(3)18(2)25-23(16-21-11-7-6-8-12-21)31-28(35)30(22,25)24(37-20(4)32)14-15-29(5,36)27(17)34/h6-9,11-15,17-18,22-26,33,36H,3,10,16H2,1-2,4-5H3,(H,31,35)/b13-9+,15-14+/t17-,18+,22-,23-,24+,25-,26+,29+,30+/m0/s1

smiles:
C[C@H]1C/C=C/[C@H]2[C@@H](C(=C)[C@H]([C@@H]3[C@@]2([C@@H](/C=C/[C@@](C1=O)(C)O)OC(=O)C)C(=O)N[C@H]3Cc4ccccc4)C)O


cas: 221455-57-8
dtxsid: DTXSID60882662
norman_susdat_id: NS00110968
name:
2-Propenoic acid, 2-methyl-, 2-hydroxyethyl ester, reaction products with 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane and Me Et ketone oxime, polymer with .gamma.-.omega.-perfluoro-C8-20-alkyl acrylate and stearyl acrylate


cas: 221455-61-4
dtxsid: DTXSID40882781
norman_susdat_id: NS00110302
name:
2-Propenoic acid, .gamma.-.omega.-perfluoro-C8-20-alkyl esters, polymer with acrylonitrile, polyethylene glycol dimethacrylate and polyethylene glycol methacrylate Me ether


cas: 221455-62-5
dtxsid: DTXSID90882751
norman_susdat_id: NS00112009
name:
2-Propenoic acid, 2-methyl-, oxyranylmethyl ester, polymers with acrylic acid-glycidyl ph ether-TDI reaction product,.gamma.-.omega.-perfluoro-C8-20-alkyl acrylate and stearyl acrylate


cas: 221455-63-6
dtxsid: DTXSID00882984
norman_susdat_id: NS00108922
name:
2-Propenoic acid, 2-hydroxyethyl ester, polymers with .gamma.-.omega.-perfluoro-C8-20-alkyl acrylate and stearyl acrylate


cas: 221455-64-7
dtxsid: DTXSID00882646
norman_susdat_id: NS00108893
name:
2-Butenedioic acid (2Z)-, bis(2-ethylhexyl) ester, polymers with 2-hydroxyethyl methacrylate-5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane-Me Et ketone oxime reaction product, γ-ω-perfluoro-C8-20-alkyl acrylate and vinyl chloride


cas: 221455-67-0
dtxsid: DTXSID80882826
norman_susdat_id: NS00111673
name:
2-Butenedioic acid (2Z)-, bis(2-ethylhexyl) ester, polymers with N,N-dimethyl-2-propenamide, .gamma.-.omega.-perfluoro-C8-20-alkyl acrylate and vinyl chloride


cas: 221455-71-6
dtxsid: DTXSID30882816
norman_susdat_id: NS00109966
name:
2-Butenedioic acid (2Z)-, bis(2-ethylhexyl) ester, polymers with N-(hydroxymethyl)-2-propenamide,.gamma.-.omega.-perfluoro-C8-20-alkyl acrylate and vinyl chloride


cas: 221455-73-8
dtxsid: DTXSID80883070
norman_susdat_id: NS00111693
name:
2-Propenoic acid, 2-methyl-, methyl ester, polymers with .gamma.-.omega.-perfluoro-C8-20-alkyl acrylate


name: N-Allylperfluorononanamide
cas: 221466-77-9
dtxsid: DTXSID70897020
formula: C12H6F17NO
inchikey: BOYMGTNGVSVGAX-UHFFFAOYSA-N
norman_susdat_id: NS00111520
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(=O)NCC=C
inchi:
InChI=1S/C12H6F17NO/c1-2-3-30-4(31)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/h2H,1,3H2,(H,30,31)


name: Zinc, bis[O,O-bis(1,3-dimethylbutyl) phosphorodithioato-.kappa.S,.kappa.S']-, (T-4)-
cas: 2215-35-2
chemspiderid: 83215
dtxsid: DTXSID2027460
formula: C12H27O2P1S2
inchikey: SVGYUUVJEMDZDP-UHFFFAOYNA-L
norman_susdat_id: NS00019391
pubchem_cid: NA
smiles: [Zn++].CC(C)CC(C)OP(=S)([S-])OC(C)CC(C)C.CC(C)CC(C)OP(=S)([S-])OC(C)CC(C)C
inchi:
InChI=1S/C12H27O2PS2/c1-9(2)7-11(5)13-15(16,17)14-12(6)8-10(3)4/h9-12H,7-8H2,1-6H3,(H,16,17)/t11-,12-/m0/s1


name: Biopterin
cas: 22150-76-1
chebiid: CHEBI:15373
chemspiderid: 392795
formula: C9H11N5O3
inchikey: LHQIJBMDNUYRAM-UHFFFAOYSA-N
norman_susdat_id: NS00014765
pubchem_cid: 2380
smiles: O=C2N=C(/Nc1ncc(nc12)C(O)C(O)C)N
inchi:
InChI=1S/C9H11N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h2-3,6,15-16H,1H3,(H3,10,11,13,14,17)


name: Walleminone
cas: 221536-63-6
dtxsid: DTXSID40891792
formula: C15H24O3
inchikey: NGQXJSTYWWTPOG-VGYDOTAVSA-N
norman_susdat_id: NS00094893
pubchem_cid: 15431312
smiles: C[C@H]1[C@@H]([C@@H](CC(=C)[C@@H]2CC([C@@H]2CC1=O)(C)C)O)O
inchi:
InChI=1S/C15H24O3/c1-8-5-13(17)14(18)9(2)12(16)6-11-10(8)7-15(11,3)4/h9-11,13-14,17-18H,1,5-7H2,2-4H3/t9-,10+,11-,13-,14+/m1/s1


name: (S)-N-2-naphthyl-5-oxopyrrolidine-2-carboxamide
cas: 22155-91-5
dtxsid: DTXSID10944800
formula: C15H14N2O2
inchikey: BZEPQNMASTUAMY-UHFFFAOYSA-N
norman_susdat_id: NS00050579
pubchem_cid: 90745
smiles: O=C1NC(C(=O)NC=2C=CC=3C=CC=CC3C2)CC1
inchi:
InChI=1/C15H14N2O2/c18-14-8-7-13(17-14)15(19)16-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,13H,7-8H2,(H,16,19)(H,17,18)


name: Benzenamine, 4-[4-(2-chlorophenyl)-2-ethenyl-5-oxazolyl]-N,N-diethyl-
cas: 22159-33-7
chemspiderid: 80879
dtxsid: DTXSID3066764
formula: C21H21Cl1N2O1
inchikey: JJQOKUCYWIGCIN-UHFFFAOYSA-N
norman_susdat_id: NS00027081
pubchem_cid: 89611
smiles: CCN(CC)c1ccc(cc1)c1c(nc(o1)C=C)c1c(Cl)cccc1
inchi:
InChI=1S/C21H21ClN2O/c1-4-19-23-20(17-9-7-8-10-18(17)22)21(25-19)15-11-13-16(14-12-15)24(5-2)6-3/h4,7-14H,1,5-6H2,2-3H3


name: 1,2,3,4,5,6-Cyclohexanehexacarboxylic acid
cas: 2216-84-4
chemspiderid: 17340165
dtxsid: DTXSID60176694
formula: C12H12O12
inchikey: DTGRIEIJTWNZQF-UHFFFAOYSA-N
norman_susdat_id: NS00021866
pubchem_cid: 102227
smiles: OC(=O)C1C(C(C(C(C1C(=O)O)C(=O)O)C(=O)O)C(=O)O)C(=O)O
inchi:
InChI=1S/C12H12O12/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)/t1-,2-,3-,4+,5-,6+


name: (-)-Hexaconazole
cas: 221627-82-3
chebiid: CHEBI:83713
chemspiderid: 21173802
dtxsid: DTXSID30894095
formula: C14H17Cl2N3O1
inchikey: STMIIPIFODONDC-CQSZACIVSA-N
norman_susdat_id: NS00001263
pubchem_cid: 37888329
smiles: CCCC[C@@](O)(Cn1cncn1)c1ccc(Cl)cc1Cl
inchi:
InChI=1/C14H17Cl2N3O/c1-2-3-6-14(20,8-19-10-17-9-18-19)12-5-4-11(15)7-13(12)16/h4-5,7,9-10,20H,2-3,6,8H2,1H3/t14-/s2


name: Cyprosulfamide
cas: 221667-31-8
chebiid: CHEBI:132270
chemspiderid: 9882370
dtxsid: DTXSID9058022
formula: C18H18N2O5S1
inchikey: OAWUUPVZMNKZRY-UHFFFAOYSA-N
norman_susdat_id: NS00002567
pubchem_cid: 11707647
smiles: COc1ccccc1C(=O)NS(=O)(=O)c1ccc(cc1)C(=O)NC1CC1
inchi:
InChI=1S/C18H18N2O5S/c1-25-16-5-3-2-4-15(16)18(22)20-26(23,24)14-10-6-12(7-11-14)17(21)19-13-8-9-13/h2-7,10-11,13H,8-9H2,1H3,(H,19,21)(H,20,22)


name: Bis(2,4,6-trinitrophenyl) sulphide
cas: 2217-06-3
dtxsid: DTXSID60883811
formula: C12H10N6O12S
inchikey: XHJPTLWIOZRBQB-UHFFFAOYSA-N
norman_susdat_id: NS00050210
pubchem_cid: 316175
inchi:
InChI=1/C12H4N6O12S/c19-13(20)5-1-7(15(23)24)11(8(2-5)16(25)26)31-12-9(17(27)28)3-6(14(21)22)4-10(12)18(29)30/h1-4H

smiles:
O=[N+]([O-])C=1C=C(C(SC=2C(=CC(=CC2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])=C(C1)[N+](=O)[O-])[N+](=O)[O-]


name: Iodophthalein sodium
cas: 2217-44-9
formula: C20H10I4O4.2Na
inchikey: CWHBCTLVWOCMPQ-UHFFFAOYSA-L
norman_susdat_id: NS00083702
smiles: [Na+].[Na+].[O-]C(=O)c1ccccc1C(=C2C=C(I)C(=O)C(=C2)I)c3cc(I)c([O-])c(I)c3
inchi:
InChI=1/C20H10I4O4.2Na/c21-13-5-9(6-14(22)18(13)25)17(10-7-15(23)19(26)16(24)8-10)11-3-1-2-4-12(11)20(27)28;;/h1-8,25H,(H,27,28);;/q;2*+1/p-2


name: Dimethyl(1-methyl-3,3-diphenylpropyl)ammonium chloride
cas: 22173-83-7
dtxsid: DTXSID70944821
formula: C18H23N
inchikey: JCFRXWVRVBVWNY-UHFFFAOYSA-N
norman_susdat_id: NS00049262
pubchem_cid: 30966
smiles: [Cl-].C=1C=CC(=CC1)C(C=2C=CC=CC2)CC(C)[NH+](C)C
inchi:
InChI=1/C18H23N.ClH/c1-15(19(2)3)14-18(16-10-6-4-7-11-16)17-12-8-5-9-13-17;/h4-13,15,18H,14H2,1-3H3;1H


name: Pipotiazine undecylenic ester
cas: 22178-11-6
chemspiderid: 80883
dtxsid: DTXSID00176714
formula: C35H51N3O4S2
inchikey: MFSGYRRYJFCADI-UHFFFAOYSA-N
norman_susdat_id: NS00027093
pubchem_cid: 89615
smiles: CN(C)S(=O)(=O)c1cc2c(Sc3c(cccc3)N2CCCN2CCC(CCOC(=O)CCCCCCCCC=C)CC2)cc1
inchi:
InChI=1S/C35H51N3O4S2/c1-4-5-6-7-8-9-10-11-17-35(39)42-27-22-29-20-25-37(26-21-29)23-14-24-38-31-15-12-13-16-33(31)43-34-19-18-30(28-32(34)38)44(40,41)36(2)3/h4,12-13,15-16,18-19,28-29H,1,5-11,14,17,20-27H2,2-3H3


name: Ethyl N-[1-oxo-5-(1H-purin-6-ylthio)pentyl]glycinate
cas: 22181-94-8
dtxsid: DTXSID80944832
formula: C14H19N5O3S
inchikey: GOZRRIWDZQPGMN-UHFFFAOYSA-N
norman_susdat_id: NS00049866
pubchem_cid: 89617
smiles: O=C(OCC)CNC(=O)CCCCSC=1NC=NC2=NC=NC21
inchi:
InChI=1/C14H19N5O3S/c1-2-22-11(21)7-15-10(20)5-3-4-6-23-14-12-13(17-8-16-12)18-9-19-14/h8-9H,2-7H2,1H3,(H,15,20)(H,16,17,18,19)


name: 1-benzyl-1,2-dihydro-2-[(4-methoxyphenyl)methyl]-3,4-dimethylpyridine
cas: 22185-50-8
dtxsid: DTXSID60944835
formula: C22H25NO
inchikey: KSKPCURZYVZTBP-UHFFFAOYSA-N
norman_susdat_id: NS00049877
pubchem_cid: 90747
smiles: O(C1=CC=C(C=C1)CC2C(=C(C=CN2CC=3C=CC=CC3)C)C)C
inchi:
InChI=1/C22H25NO/c1-17-13-14-23(16-20-7-5-4-6-8-20)22(18(17)2)15-19-9-11-21(24-3)12-10-19/h4-14,22H,15-16H2,1-3H3


name: 3-benzyl-1,2,3,4,5,6-hexahydro-6,11-dimethyl-2,6-methano-3-benzazocin-8-ol
cas: 22185-52-0
dtxsid: DTXSID20944836
formula: C21H25NO
inchikey: RPMPAQXGZYLEST-UHFFFAOYSA-N
norman_susdat_id: NS00049264
pubchem_cid: 90748
smiles: OC1=CC=C2C(=C1)C3(C)CCN(CC=4C=CC=CC4)C(C2)C3C
inchi:
InChI=1/C21H25NO/c1-15-20-12-17-8-9-18(23)13-19(17)21(15,2)10-11-22(20)14-16-6-4-3-5-7-16/h3-9,13,15,20,23H,10-12,14H2,1-2H3


name: Thiothixene
cas: 22189-31-7
chebiid: CHEBI:9571
dtxsid: DTXSID2091542
formula: C23H29N3O2S2
inchikey: GFBKORZTTCHDGY-UWVJOHFNSA-N
norman_susdat_id: NS00098962
pubchem_cid: 941651
smiles: CN1CCN(CC/C=C2/c3ccccc3Sc3ccc(S(=O)(=O)N(C)C)cc32)CC1
inchi:
InChI=1S/C23H29N3O2S2/c1-24(2)30(27,28)18-10-11-23-21(17-18)19(20-7-4-5-9-22(20)29-23)8-6-12-26-15-13-25(3)14-16-26/h4-5,7-11,17H,6,12-16H2,1-3H3/b19-8-


name: Canavanine sulphate
cas: 2219-31-0
formula: C5H12N4O3.H2O4S
inchikey: MVIPJKVMOKFIEV-UHFFFAOYSA-N
norman_susdat_id: NS00083692
smiles: NC(CCONC(=N)N)C(=O)O.OS(=O)(=O)O
inchi:
InChI=1/C5H12N4O3.H2O4S/c6-3(4(10)11)1-2-12-9-5(7)8;1-5(2,3)4/h3H,1-2,6H2,(H,10,11)(H4,7,8,9);(H2,1,2,3,4)


name: (R*,S*)-cinnamyl(ß-hydroxy-a-methylphenethyl)methylammonium chloride
cas: 22194-13-4
formula: C19H23NO.ClH
inchikey: RSBLYYMNHJDITE-NBYYMMLRSA-N
norman_susdat_id: NS00084261
smiles: [Cl-].CC(C(O)c1ccccc1)[NH+](C)C\C=C\c2ccccc2
inchi:
InChI=1/C19H23NO.ClH/c1-16(19(21)18-13-7-4-8-14-18)20(2)15-9-12-17-10-5-3-6-11-17;/h3-14,16,19,21H,15H2,1-2H3;1H


name: 1,4-Bis(4-chlorobenzoyl)benzene
cas: 22198-42-1
chemspiderid: 80310
dtxsid: DTXSID40176733
formula: C20H12Cl2O2
inchikey: UJOJIBQOYNBSPY-UHFFFAOYSA-N
norman_susdat_id: NS00027101
pubchem_cid: 89623
smiles: Clc1ccc(cc1)C(=O)c1ccc(cc1)C(=O)c1ccc(Cl)cc1
inchi:
InChI=1S/C20H12Cl2O2/c21-17-9-5-15(6-10-17)19(23)13-1-2-14(4-3-13)20(24)16-7-11-18(22)12-8-16/h1-12H


name: L-glutamic acid, compound with 2-(dimethylamino)ethanol (1:1)
cas: 22199-70-8
formula: C5H9NO4.C4H11NO
inchikey: IKFZABILOXSNSM-DFWYDOINSA-N
norman_susdat_id: NS00083894
smiles: CN(C)CCO.N[C@@H](CCC(=O)O)C(=O)O
inchi:
InChI=1/C5H9NO4.C4H11NO/c6-3(5(9)10)1-2-4(7)8;1-5(2)3-4-6/h3H,1-2,6H2,(H,7,8)(H,9,10);6H,3-4H2,1-2H3


name: Lifibrate
cas: 22204-91-7
chemspiderid: 28817
dtxsid: DTXSID1046217
formula: C20H21Cl2N1O4
inchikey: QDGIAPPCJRFVEK-UHFFFAOYSA-N
norman_susdat_id: NS00027103
pubchem_cid: 31060
smiles: CN1CCC(CC1)OC(=O)C(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1
inchi:
InChI=1S/C20H21Cl2NO4/c1-23-12-10-18(11-13-23)25-19(24)20(26-16-6-2-14(21)3-7-16)27-17-8-4-15(22)5-9-17/h2-9,18,20H,10-13H2,1H3


name: Dioctylbis(stearoyloxy)stannane
cas: 22205-26-1
dtxsid: DTXSID20176756
formula: C52H104O4Sn
inchikey: UZFVQGTYOXJWTF-UHFFFAOYSA-L
norman_susdat_id: NS00049326
pubchem_cid: NA
smiles: O=C(O[Sn](OC(=O)CCCCCCCCCCCCCCCCC)(CCCCCCCC)CCCCCCCC)CCCCCCCCCCCCCCCCC
inchi:
InChI=1/2C18H36O2.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;2*1-3-5-7-8-6-4-2;/h2*2-17H2,1H3,(H,19,20);2*1,3-8H2,2H3;/q;;;;+2/p-2/rC52H104O4Sn/c1-5-9-13-17-21-23-25-27-29-31-33-35-37-39-43-47-51(53)55-57(49-45-41-19-15-11-7-3,50-46-42-20-16-12-8-4)56-52(54)48-44-40-38-36-34-32-30-28-26-24-22-18-14-10-6-2/h5-50H2,1-4H3


name: Bis(dodecylthio)dioctylstannane
cas: 22205-30-7
dtxsid: DTXSID0051867
formula: C40H84S2Sn
inchikey: ZLQKLRJBHMDQPD-UHFFFAOYSA-L
norman_susdat_id: NS00050410
pubchem_cid: NA
smiles: S(CCCCCCCCCCCC)[Sn](SCCCCCCCCCCCC)(CCCCCCCC)CCCCCCCC
inchi:
InChI=1/2C12H26S.2C8H17.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13;2*1-3-5-7-8-6-4-2;/h2*13H,2-12H2,1H3;2*1,3-8H2,2H3;/q;;;;+2/p-2/rC40H84S2Sn/c1-5-9-13-17-21-23-25-27-29-33-37-41-43(39-35-31-19-15-11-7-3,40-36-32-20-16-12-8-4)42-38-34-30-28-26-24-22-18-14-10-6-2/h5-40H2,1-4H3


name: 5-benzyl-3-phenylimidazolidine-2,4-dione
cas: 2221-08-1
dtxsid: DTXSID00287879
formula: C16H14N2O2
inchikey: MZPQMSNHXOWKHF-UHFFFAOYSA-N
norman_susdat_id: NS00097951
smiles: C1=CC=C(C=C1)CC2C(=O)N(C(=O)N2)C3=CC=CC=C3
inchi:
InChI=1S/C16H14N2O2/c19-15-14(11-12-7-3-1-4-8-12)17-16(20)18(15)13-9-5-2-6-10-13/h1-10,14H,11H2,(H,17,20)


name: Benzoylprop-ethyl
cas: 22212-55-1
chebiid: CHEBI:82171
chemspiderid: 28825
dtxsid: DTXSID7040281
formula: C18H17Cl2N1O3
inchikey: SLCGUGMPSUYJAY-UHFFFAOYSA-N
norman_susdat_id: NS00001839
pubchem_cid: 31068
smiles: CCOC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
inchi:
InChI=1S/C18H17Cl2NO3/c1-3-24-18(23)12(2)21(14-9-10-15(19)16(20)11-14)17(22)13-7-5-4-6-8-13/h4-12H,3H2,1-2H3


name: 2,16a,20,25-tetrahydroxy-9ß-methyl-10a-19-norlanosta-1,5,23(E)-triene-3,11,22-trione
cas: 2222-07-3
formula: C30H42O7
inchikey: OGQKEIDABATAPW-UHFFFAOYSA-N
norman_susdat_id: NS00050213
pubchem_cid: NA
smiles: O=C(C=C(C)CO)CC(O)(C)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C(=O)CC12C)C
inchi:
InChI=1/C30H42O7/c1-16(15-31)10-17(32)12-29(6,37)24-21(34)13-27(4)22-9-8-18-19(11-20(33)25(36)26(18,2)3)30(22,7)23(35)14-28(24,27)5/h8,10-11,19,21-22,24,31,33-34,37H,9,12-15H2,1-7H3


name: Propanenitrile, 3-[[2-(2,5-dioxo-1-pyrrolidinyl)ethyl](3-methylphenyl)amino]-
cas: 2223-89-4
chemspiderid: 67754
dtxsid: DTXSID4062276
formula: C16H19N3O2
inchikey: SQZMCALHUSFSRR-UHFFFAOYSA-N
norman_susdat_id: NS00027106
pubchem_cid: 75209
smiles: Cc1cc(ccc1)N(CCC#N)CCN1C(=O)CCC1=O
inchi:
InChI=1S/C16H19N3O2/c1-13-4-2-5-14(12-13)18(9-3-8-17)10-11-19-15(20)6-7-16(19)21/h2,4-5,12H,3,6-7,9-11H2,1H3


name: Cadmium distearate
cas: 2223-93-0
formula: C18H36O2.1/2Cd
inchikey: GWOWVOYJLHSRJJ-UHFFFAOYSA-L
norman_susdat_id: NS00084031
smiles: [Cd+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H36O2.Cd/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: Nickel(2+) stearate
cas: 2223-95-2
formula: C18H36O2.1/2Ni
inchikey: JMWUYEFBFUCSAK-UHFFFAOYSA-L
norman_susdat_id: NS00083694
smiles: [Ni+2].CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H36O2.Ni/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: Disodium 2,2'-methylenebis(4-chlorophenolate)
cas: 22232-25-3
formula: C13H10Cl2O2.2Na
inchikey: IDPAELWVMULBFJ-UHFFFAOYSA-L
norman_susdat_id: NS00084603
smiles: [Na+].[Na+].[O-]c1ccc(Cl)cc1Cc2cc(Cl)ccc2[O-]
inchi:
InChI=1/C13H10Cl2O2.2Na/c14-10-1-3-12(16)8(6-10)5-9-7-11(15)2-4-13(9)17;;/h1-4,6-7,16-17H,5H2;;/q;2*+1/p-2


name: Mazindol
cas: 22232-71-9
chebiid: CHEBI:6702
chemspiderid: 3880
dtxsid: DTXSID1023237
formula: C16H13Cl1N2O1
inchikey: ZPXSCAKFGYXMGA-UHFFFAOYSA-N
norman_susdat_id: NS00003468
pubchem_cid: 4020
smiles: OC1(N2CCN=C2c2ccccc12)c1ccc(Cl)cc1
inchi:
InChI=1S/C16H13ClN2O/c17-12-7-5-11(6-8-12)16(20)14-4-2-1-3-13(14)15-18-9-10-19(15)16/h1-8,20H,9-10H2


name: Amedalin
cas: 22232-73-1
dtxsid: DTXSID40865034
formula: C19H22N2O
inchikey: HBGWAZBZXJBYQD-IBGZPJMESA-N
norman_susdat_id: NS00068803
pubchem_cid: 76961482
smiles: CNCCC[C@]1(C)C(=O)N(c2ccccc2)c2ccccc21
inchi:
InChI=1S/C19H22N2O/c1-19(13-8-14-20-2)16-11-6-7-12-17(16)21(18(19)22)15-9-4-3-5-10-15/h3-7,9-12,20H,8,13-14H2,1-2H3/t19-/m0/s1


name: endo-(Â±)-8-aza-8-isopropylbicyclo[3.2.1]oct-3-yl (hydroxymethyl)phenylacetate
cas: 22235-81-0
chemspiderid: 19310690
formula: C19H27N1O3
inchikey: VORSMCHHJRVORT-UHFFFAOYSA-N
norman_susdat_id: NS00010047
pubchem_cid: 20625249
smiles: CC(C)N1C2CCC1CC(C2)OC(=O)C(CO)c1ccccc1
inchi:
InChI=1S/C19H27NO3/c1-13(2)20-15-8-9-16(20)11-17(10-15)23-19(22)18(12-21)14-6-4-3-5-7-14/h3-7,13,15-18,21H,8-12H2,1-2H3


name: Lauric acid, compound with 2,2',2''-nitrilotriethanol (1:1)
cas: 2224-49-9
formula: C12H24O2.C6H15NO3
inchikey: WLMZUANPXHJWCH-UHFFFAOYSA-N
norman_susdat_id: NS00083707
smiles: CCCCCCCCCCCC(=O)O.OCCN(CCO)CCO
inchi:
InChI=1/C12H24O2.C6H15NO3/c1-2-3-4-5-6-7-8-9-10-11-12(13)14;8-4-1-7(2-5-9)3-6-10/h2-11H2,1H3,(H,13,14);8-10H,1-6H2


name: 1,2,4-Triazolidine-3-thione, 2-[2-(1-chlorocyclopropyl)-3-(2-chlorophenyl)-2-hydroxypropyl]-
cas: 222408-90-4
chemspiderid: 9296660
formula: C14H17Cl2N3O1S1
inchikey: PCARSQBZDYOIPU-UHFFFAOYSA-N
norman_susdat_id: NS00002079
pubchem_cid: 11121531
smiles: OC(CN1NCNC1=S)(Cc1ccccc1Cl)C1(Cl)CC1
inchi:
InChI=1S/C14H17Cl2N3OS/c15-11-4-2-1-3-10(11)7-14(20,13(16)5-6-13)8-19-12(21)17-9-18-19/h1-4,18,20H,5-9H2,(H,17,21)


cas: 222416-82-2
formula: C16H38N2O4
norman_susdat_id: NS00101904
name:
Poly(oxy-1,2-ethanediyl), .alpha.,.alpha.',.alpha.'',.alpha.'''-[1,6-hexanediylbis[(methylnitrilio)di-2,1-ethanediyl]]tetrakis[.omega.-hydroxy-, bis(methyl sulfate) (salt)


name: Ethylene S,S'-4-toluenethiosulphonate
cas: 2225-23-2
chemspiderid: NA
dtxsid: DTXSID60176790
formula: C16H18O4S4
inchikey: DUFUGAKEFZRFEQ-UHFFFAOYSA-N
norman_susdat_id: NS00027111
pubchem_cid: 75212
smiles: Cc1ccc(cc1)S(=O)(=O)SCCSS(=O)(=O)c1ccc(C)cc1
inchi:
InChI=1S/C16H18O4S4/c1-13-3-7-15(8-4-13)23(17,18)21-11-12-22-24(19,20)16-9-5-14(2)6-10-16/h3-10H,11-12H2,1-2H3


name: Riboflavin 5'-(dihydrogen phosphate), sodium salt
cas: 22251-85-0
formula: C17H21N4O9P.xNa
inchikey: OHSHFZJLPYLRIP-UHFFFAOYSA-M
norman_susdat_id: NS00084134
smiles: Cc1cc2N=C3C(=O)NC(=O)N=C3N(CC(O)C(O)C(O)COP(=O)(O)O[Na])c2cc1C
inchi:
InChI=1/C17H21N4O9P.Na/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29;/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29);/q;+1/p-1/rC17H20N4NaO9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(26)20-17(27)19-15)5-11(23)14(25)12(24)6-30-32(28,29)31-22/h3-4,11-12,14,23-25H,5-6H2,1-2H3,(H,28,29)(H,20,26,27)


name: 11ß,17,21-trihydroxy-6a-methylpregna-1,4-diene-3,20-dione 21-(dihydrogen phosphate)
cas: 22252-38-6
formula: C22H31O8P
inchikey: PWTIEVRZANUUHG-UHFFFAOYSA-N
norman_susdat_id: NS00084604
smiles: CC1CC2C3CCC(O)(C(=O)COP(=O)(O)O)C3(C)CC(O)C2C4(C)C=CC(=O)C=C14
inchi:
InChI=1/C22H31O8P/c1-12-8-14-15-5-7-22(26,18(25)11-30-31(27,28)29)21(15,3)10-17(24)19(14)20(2)6-4-13(23)9-16(12)20/h4,6,9,12,14-15,17,19,24,26H,5,7-8,10-11H2,1-3H3,(H2,27,28,29)


name: Ipratropium bromide
cas: 22254-24-6
chemspiderid: 571433
dtxsid: DTXSID60858923
formula: C20H30N1O3
inchikey: OEXHQOGQTVQTAT-BZQJJPTISA-N
norman_susdat_id: NS00007222
pubchem_cid: 657309
smiles: CC(C)[N+]1(C)[C@H]2CC[C@@H]1CC(C2)OC(=O)C(CO)c1ccccc1
inchi:
InChI=1S/C20H30NO3/c1-14(2)21(3)16-9-10-17(21)12-18(11-16)24-20(23)19(13-22)15-7-5-4-6-8-15/h4-8,14,16-19,22H,9-13H2,1-3H3/q+1/t16-,17+,18?,19?,21?


name: N-(4-chloro-2,5-dimethoxyphenyl)-2-[(2-methoxy-4-nitrophenyl)azo]-3-oxobutyramide
cas: 22254-53-1
formula: C19H20ClN4O7
inchikey: UKDQJSCBLDOTIF-UHFFFAOYSA-N
norman_susdat_id: NS00049886
pubchem_cid: 90760
smiles: O=C(NC1=CC(OC)=C(Cl)C=C1OC)C(N=NC2=CC=C(C=C2OC)[N+](=O)[O-])C(=O)C
inchi:
InChI=1/C19H19ClN4O7/c1-10(25)18(23-22-13-6-5-11(24(27)28)7-16(13)30-3)19(26)21-14-9-15(29-2)12(20)8-17(14)31-4/h5-9,18H,1-4H3,(H,21,26)


name: methyl 16-methoxy-2,3-didehydro-6,7-epoxyaspidospermidine-3-carboxylate
cas: 22255-04-5
chemspiderid: 391638
dtxsid: DTXSID50293763
formula: C22H26N2O4
inchikey: YKTXUUJZENEUGL-UHFFFAOYSA-N
norman_susdat_id: NS00094726
pubchem_cid: 443417
smiles: CCC12CC(C(=O)OC)=C3NC4=C(C=CC(OC)=C4)C33CCN(CC4OC14)C23
inchi:
InChI=1S/C22H26N2O4/c1-4-21-10-13(19(25)27-3)17-22(14-6-5-12(26-2)9-15(14)23-17)7-8-24(20(21)22)11-16-18(21)28-16/h5-6,9,16,18,20,23H,4,7-8,10-11H2,1-3H3


cas: 22255-40-9
dtxsid: DTXSID80944913
formula: C16H24O10
inchikey: JNNGEAWILNVFFD-UHFFFAOYSA-N
norman_susdat_id: NS00050420
pubchem_cid: 4430509
smiles: O=C(O)C1=COC(OC2OC(CO)C(O)C(O)C2O)C3C1CC(O)C3C
name:
[1S-(1a,4aa,6a,7a,7aa)]-1-(ß-D-glucopyranosyloxy)-1,4a,5,6,7,7a-hexahydro-6-hydroxy-7-methylcyclopenta[c]pyran-4-carboxylic acid

inchi:
InChI=1/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)


name: Oleic acid, compound with dicyclohexylamine (1:1)
cas: 22256-71-9
formula: C18H34O2.C12H23N
inchikey: AYTIAPQIRMHXML-KVVVOXFISA-N
norman_susdat_id: NS00084139
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)O.C1CCC(CC1)NC2CCCCC2
inchi:
InChI=1/C18H34O2.C12H23N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h9-10H,2-8,11-17H2,1H3,(H,19,20);11-13H,1-10H2


name: (Z)-N-methyl-N-(1-oxo-9-octadecenyl)glycine, compound with morpholine (1:1)
cas: 22256-74-2
formula: C21H39NO3.C4H9NO
inchikey: BBKJVGHKJVJVEY-GMFCBQQYSA-N
norman_susdat_id: NS00084140
smiles: CCCCCCCC\C=C/CCCCCCCC(=O)N(C)CC(=O)O.C1COCCN1
inchi:
InChI=1/C21H39NO3.C4H9NO/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;1-3-6-4-2-5-1/h10-11H,3-9,12-19H2,1-2H3,(H,24,25);5H,1-4H2


name: Phosphopantetheine
cas: 2226-71-3
chebiid: CHEBI:4222
dtxsid: DTXSID30897420
formula: C11H23N2O7PS
inchikey: JDMUPRLRUUMCTL-VIFPVBQESA-N
norman_susdat_id: NS00070564
pubchem_cid: 115254
smiles: CC(C)(COP(=O)(O)O)[C@@H](O)/C(O)=N/CC/C(O)=N/CCS
inchi:
InChI=1S/C11H23N2O7PS/c1-11(2,7-20-21(17,18)19)9(15)10(16)13-4-3-8(14)12-5-6-22/h9,15,22H,3-7H2,1-2H3,(H,12,14)(H,13,16)(H2,17,18,19)/t9-/m0/s1


name: 2-bromo-12'-hydroxy-5'a-isobutyl-2'-isopropylergotaman-3',6',18-trione monomethanesulphonate
cas: 22260-51-1
chebiid: CHEBI:3182
formula: C32H40BrN5O5.CH4O3S
inchikey: NOJMTMIRQRDZMT-GSPXQYRGSA-N
norman_susdat_id: NS00084669
inchi:
InChI=1/C32H40BrN5O5.CH4O3S/c1-16(2)12-24-29(40)37-11-7-10-25(37)32(42)38(24)30(41)31(43-32,17(3)4)35-28(39)18-13-20-19-8-6-9-22-26(19)21(27(33)34-22)14-23(20)36(5)15-18;1-5(2,3)4/h6,8-9,13,16-18,23-25,34,42H,7,10-12,14-15H2,1-5H3,(H,35,39);1H3,(H,2,3,4)

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


name: [2-(3-ethoxy-3-oxopropyl)cyclohexyl]dimethylammonium hydrogen maleate
cas: 22266-25-7
formula: C13H25NO2
inchikey: KJDGINDHADLMKF-BTJKTKAUSA-M
norman_susdat_id: NS00050460
pubchem_cid: NA
smiles: O=C([O-])C=CC(=O)[O-].O=C(OCC)CCC1CCCCC1[NH+](C)C
inchi:
InChI=1/C13H25NO2.C4H4O4/c1-4-16-13(15)10-9-11-7-5-6-8-12(11)14(2)3;5-3(6)1-2-4(7)8/h11-12H,4-10H2,1-3H3;1-2H,(H,5,6)(H,7,8)/p-1


name: Altersolanol A
cas: 22268-16-2
chebiid: CHEBI:2615
chemspiderid: 80909
dtxsid: DTXSID10891800
formula: C16H16O8
inchikey: VSMBLBOUQJNJIL-JJXSEGSLSA-N
norman_susdat_id: NS00094875
pubchem_cid: 89644
smiles: C[C@]1([C@@H]([C@H](C2=C([C@H]1O)C(=O)C3=CC(=CC(=C3C2=O)O)OC)O)O)O
inchi:
InChI=1S/C16H16O8/c1-16(23)14(21)10-9(13(20)15(16)22)12(19)8-6(11(10)18)3-5(24-2)4-7(8)17/h3-4,13-15,17,20-23H,1-2H3/t13-,14+,15+,16-/m0/s1


cas: 222716-38-3
norman_susdat_id: NS00113039
name:
Fatty acids, tall-oil, esters with polyethylene glycol mono(hydrogen maleate), compds. with amides from diethylenetriamine and tall-oil fatty acids


cas: 222716-67-8
dtxsid: DTXSID90882832
norman_susdat_id: NS00112017
name:
Sulfonamides, C4-8-alkane, perfluoro, N-ethyl-N-(hydroxyethyl), reaction products with poly(Bu acrylate) and polyethylene-polypropylene glycol mono-Bu ether


name: 2-chloro-3-(octylamino)-1,4-dihydronaphthalene-1,4-dione
cas: 22272-18-0
chemspiderid: 228366
dtxsid: DTXSID30293645
formula: C18H22Cl1N1O2
inchikey: QEFIUSZAQVMYNY-UHFFFAOYSA-N
norman_susdat_id: NS00016404
pubchem_cid: 260188
smiles: CCCCCCCCNC1=C(C(=O)C2=CC=CC=C2C1=O)Cl
inchi:
InChI=1S/C18H22ClNO2/c1-2-3-4-5-6-9-12-20-16-15(19)17(21)13-10-7-8-11-14(13)18(16)22/h7-8,10-11,20H,2-6,9,12H2,1H3


name: 2-(6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)aniline
cas: 22276-64-8
formula: C17H18N2O2
inchikey: ITIDQYYXNGYNAM-UHFFFAOYSA-N
norman_susdat_id: NS00096791
smiles: COC1=C(C=C2C(=C1)CCN=C2C3=CC=CC=C3N)OC
inchi:
InChI=1S/C17H18N2O2/c1-20-15-9-11-7-8-19-17(13(11)10-16(15)21-2)12-5-3-4-6-14(12)18/h3-6,9-10H,7-8,18H2,1-2H3


name: Emetan, 2,3-didehydro-6',7',10,11-tetramethoxy-, dihydrochloride
cas: 2228-39-9
formula: C29H38N2O4.2ClH
inchikey: WNJZDNXVVDNPSI-FJEGXLQFSA-N
norman_susdat_id: NS00083505
smiles: Cl.Cl.CCC1=C(C[C@H]2NCCc3cc(OC)c(OC)cc23)C[C@@H]4N(CCc5cc(OC)c(OC)cc45)C1
inchi:
InChI=1/C29H38N2O4.2ClH/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;;/h13-16,24-25,30H,6-12,17H2,1-5H3;2*1H


name: Naphtho[1',2',3':4,5]quino[2,1-b]quinazoline-5,10-dione
cas: 22281-18-1
chemspiderid: 80914
dtxsid: DTXSID2066775
formula: C23H12N2O2
inchikey: ZQCQJALTXDGORV-UHFFFAOYSA-N
norman_susdat_id: NS00021062
pubchem_cid: 89649
smiles: O=c1n2c(cc3c4c(cccc4)c(=O)c4c3c2ccc4)nc2c1cccc2
inchi:
InChI=1S/C23H12N2O2/c26-22-14-7-2-1-6-13(14)17-12-20-24-18-10-4-3-8-15(18)23(27)25(20)19-11-5-9-16(22)21(17)19/h1-12H


name: Sodium 9,10-dihydro-1,4-dihydroxy-9,10-dioxoanthracene-2-sulphonate
cas: 22297-70-7
formula: C14H8O7S.Na
inchikey: UCUKLRSMQAODEF-UHFFFAOYSA-M
norman_susdat_id: NS00084170
smiles: [Na+].Oc1cc(c(O)c2C(=O)c3ccccc3C(=O)c12)S(=O)(=O)[O-]
inchi:
InChI=1/C14H8O7S.Na/c15-8-5-9(22(19,20)21)14(18)11-10(8)12(16)6-3-1-2-4-7(6)13(11)17;/h1-5,15,18H,(H,19,20,21);/q;+1/p-1


name: Betamethasone benzoate
cas: 22298-29-9
chebiid: CHEBI:135798
chemspiderid: 4445633
dtxsid: DTXSID2022670
formula: C29H33F1O6
inchikey: SOQJPQZCPBDOMF-YCUXZELOSA-N
norman_susdat_id: NS00008231
pubchem_cid: 5282492
smiles: C[C@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccccc1)C(=O)CO
inchi:
InChI=1S/C29H33FO6/c1-17-13-22-21-10-9-19-14-20(32)11-12-26(19,2)28(21,30)23(33)15-27(22,3)29(17,24(34)16-31)36-25(35)18-7-5-4-6-8-18/h4-8,11-12,14,17,21-23,31,33H,9-10,13,15-16H2,1-3H3/t17-,21-,22-,23-,26-,27-,28-,29-/m0/s1


name: Calcium diicosanoate
cas: 22302-43-8
formula: C20H40O2.1/2Ca
inchikey: BMQVRJOWNGSIEG-UHFFFAOYSA-L
norman_susdat_id: NS00084672
smiles: [Ca+2].CCCCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCCCC(=O)[O-]
inchi:
InChI=1/2C20H40O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22;/h2*2-19H2,1H3,(H,21,22);/q;;+2/p-2


name: Bismuth triacetate
cas: 22306-37-2
formula: C2H4O2.1/3Bi
inchikey: QZBZIDHBPJUOPQ-UHFFFAOYSA-K
norman_susdat_id: NS00084171
smiles: [BiH3+3].CC(=O)[O-].CC(=O)[O-].CC(=O)[O-]
inchi:
InChI=1/3C2H4O2.Bi.3H/c3*1-2(3)4;;;;/h3*1H3,(H,3,4);;;;/q;;;+3;;;/p-3/r3C2H4O2.BiH3/c3*1-2(3)4;/h3*1H3,(H,3,4);1H3/q;;;+3/p-3


name: Inolitazone
cas: 223132-37-4
dtxsid: DTXSID60944956
formula: C27H26N4O4S
inchikey: JCYNMRJCUYVDBC-HSZRJFAPSA-N
norman_susdat_id: NS00072033
smiles: Cc1cc(Oc2ccc3nc(COc4ccc(C[C@H]5SC(=O)NC5=O)cc4)n(C)c3c2)cc(C)c1N
inchi:
InChI=1S/C27H26N4O4S/c1-15-10-20(11-16(2)25(15)28)35-19-8-9-21-22(13-19)31(3)24(29-21)14-34-18-6-4-17(5-7-18)12-23-26(32)30-27(33)36-23/h4-11,13,23H,12,14,28H2,1-3H3,(H,30,32,33)/t23-/m1/s1


name: Ethyl 3-((5-chloro-2-nitrophenyl)phenylamino)-3-oxopropionate
cas: 22316-45-6
chemspiderid: 80920
dtxsid: DTXSID80176858
formula: C17H15Cl1N2O5
inchikey: ZRYOWWCGEBQSKY-UHFFFAOYSA-N
norman_susdat_id: NS00027125
pubchem_cid: 89656
smiles: CCOC(=O)CC(=O)N(c1ccccc1)c1c(ccc(Cl)c1)[N+](=O)[O-]
inchi:
InChI=1S/C17H15ClN2O5/c1-2-25-17(22)11-16(21)19(13-6-4-3-5-7-13)15-10-12(18)8-9-14(15)20(23)24/h3-10H,2,11H2,1H3


name: Clobazam
cas: 22316-47-8
chebiid: CHEBI:31413
chemspiderid: 2687
dtxsid: DTXSID2046759
formula: C16H13Cl1N2O2
inchikey: CXOXHMZGEKVPMT-UHFFFAOYSA-N
norman_susdat_id: NS00010408
pubchem_cid: 2789
smiles: CN1C(=O)CC(=O)N(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3
inchi:
InChI=1S/C16H13ClN2O2/c1-18-13-8-7-11(17)9-14(13)19(16(21)10-15(18)20)12-5-3-2-4-6-12/h2-9H,10H2,1H3


name: N-Desmethylclobazam
cas: 22316-55-8
chemspiderid: 80921
dtxsid: DTXSID40176859
formula: C15H11Cl1N2O2
inchikey: RRTVVRIFVKKTJK-UHFFFAOYSA-N
norman_susdat_id: NS00004062
pubchem_cid: 89657
smiles: Clc1ccc2NC(=O)CC(=O)N(c3ccccc3)c2c1
inchi:
InChI=1S/C15H11ClN2O2/c16-10-6-7-12-13(8-10)18(11-4-2-1-3-5-11)15(20)9-14(19)17-12/h1-8H,9H2,(H,17,19)


name: Evodol
cas: 22318-10-1
chemspiderid: 49073581
dtxsid: DTXSID60904237
formula: C26H28O9
inchikey: SNGHLUWTFLYPMT-JPRNBFAHSA-N
norman_susdat_id: NS00067879
pubchem_cid: 185481
inchi:
InChI=1S/C26H28O9/c1-22(2)17-16(28)18(29)24(4)13(25(17)11-32-15(27)9-14(25)34-22)5-7-23(3)19(12-6-8-31-10-12)33-21(30)20-26(23,24)35-20/h6,8,10,13-14,19-20,28H,5,7,9,11H2,1-4H3/t13-,14-,19-,20+,23-,24-,25-,26+/m0/s1


name: Dimethylbis(myristoyloxy)stannane
cas: 2232-69-1
formula: C30H60O4Sn
inchikey: GVMQLXSYVFYKCE-UHFFFAOYSA-L
norman_susdat_id: NS00049160
pubchem_cid: 16683114
smiles: O=C(O[Sn](OC(=O)CCCCCCCCCCCCC)(C)C)CCCCCCCCCCCCC
inchi:
InChI=1/2C14H28O2.2CH3.Sn/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16;;;/h2*2-13H2,1H3,(H,15,16);2*1H3;/q;;;;+2/p-2/rC30H60O4Sn/c1-5-7-9-11-13-15-17-19-21-23-25-27-29(31)33-35(3,4)34-30(32)28-26-24-22-20-18-16-14-12-10-8-6-2/h5-28H2,1-4H3


name: 1H-Benz[de]isoquinoline-1,3(2H)-dione, 6,7-diethoxy-2-methyl-
cas: 22330-48-9
chemspiderid: 80923
dtxsid: DTXSID1066780
formula: C17H17N1O4
inchikey: RTCBXWGDLADPJL-UHFFFAOYSA-N
norman_susdat_id: NS00027129
pubchem_cid: 89660
smiles: CCOc1ccc2c(=O)n(C)c(=O)c3ccc(OCC)c1c23
inchi:
InChI=1S/C17H17NO4/c1-4-21-12-8-6-10-14-11(17(20)18(3)16(10)19)7-9-13(15(12)14)22-5-2/h6-9H,4-5H2,1-3H3


name: Calcium (9Z,12Z,15Z)-9,12,15-octadecatrienoate
cas: 22333-90-0
formula: C18H30O2.1/2Ca
inchikey: CIRHMZHRSIZIGV-SYSSTCGWSA-L
norman_susdat_id: NS00083915
smiles: [Ca+2].CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)[O-].CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H30O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20);/q;;+2/p-2


name: N-[(1-chloro-4-hydroxyisoquinolin-3-yl)carbonyl]glycine
cas: 223387-75-5
formula: C12H9ClN2O4
inchikey: OUQVKRKGTAUJQA-UHFFFAOYSA-N
norman_susdat_id: NS00068136
pubchem_cid: 6914666
smiles: O=C(O)CNC(=O)c1nc(Cl)c2ccccc2c1O
inchi:
InChI=1S/C12H9ClN2O4/c13-11-7-4-2-1-3-6(7)10(18)9(15-11)12(19)14-5-8(16)17/h1-4,18H,5H2,(H,14,19)(H,16,17)


name: Dodecylbis(2-hydroxyethyl)methylammonium chloride
cas: 22340-01-8
dtxsid: DTXSID9051870
formula: C17H38NO2
inchikey: YBRQEOLOGGLDGM-UHFFFAOYSA-M
norman_susdat_id: NS00050467
pubchem_cid: 31146
smiles: [Cl-].OCC[N+](C)(CCO)CCCCCCCCCCCC
inchi:
InChI=1/C17H38NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-18(2,14-16-19)15-17-20;/h19-20H,3-17H2,1-2H3;1H/q+1;/p-1


name: Tofisopam
cas: 22345-47-7
chebiid: CHEBI:32241
chemspiderid: 5301
dtxsid: DTXSID3023681
formula: C22H26N2O4
inchikey: RUJBDQSFYCKFAA-UHFFFAOYSA-N
norman_susdat_id: NS00003139
pubchem_cid: 5502
smiles: CCC1c2cc(OC)c(OC)cc2C(=NN=C1C)c1ccc(OC)c(OC)c1
inchi:
InChI=1S/C22H26N2O4/c1-7-15-13(2)23-24-22(14-8-9-18(25-3)19(10-14)26-4)17-12-21(28-6)20(27-5)11-16(15)17/h8-12,15H,7H2,1-6H3


name: (S)-(-)-alpha,alpha-Diphenyl-2-pyrrolidinemethanol
cas: 22348-32-9
chemspiderid: 2007014
dtxsid: DTXSID50369275
formula: C17H19N1O1
inchikey: OGCGXUGBDJGFFY-INIZCTEOSA-N
norman_susdat_id: NS00009132
pubchem_cid: 2724899
smiles: OC([C@@H]1CCCN1)(c1ccccc1)c1ccccc1
inchi:
InChI=1S/C17H19NO/c19-17(16-12-7-13-18-16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,16,18-19H,7,12-13H2/t16-/m0/s1


name: Nonadecylcyclohexane
cas: 22349-03-7
chemspiderid: 80933
dtxsid: DTXSID70176882
formula: C25H50
inchikey: YVTPTBVYGTYTKP-UHFFFAOYSA-N
norman_susdat_id: NS00027140
pubchem_cid: 89671
smiles: CCCCCCCCCCCCCCCCCCCC1CCCCC1
inchi:
InChI=1S/C25H50/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-23-20-18-21-24-25/h25H,2-24H2,1H3


name: [3-({[(4-tert-Butylphenyl)methyl](pyridine-3-sulfonyl)amino}methyl)phenoxy]acetic acid
cas: 223490-49-1
dtxsid: DTXSID20945000
formula: C25H28N2O5S
inchikey: WOHRHWDYFNWPNG-UHFFFAOYSA-N
norman_susdat_id: NS00068508
pubchem_cid: 9890801
smiles: CC(C)(C)c1ccc(CN(Cc2cccc(OCC(=O)O)c2)S(=O)(=O)c2cccnc2)cc1
inchi:
InChI=1S/C25H28N2O5S/c1-25(2,3)21-11-9-19(10-12-21)16-27(33(30,31)23-8-5-13-26-15-23)17-20-6-4-7-22(14-20)32-18-24(28)29/h4-15H,16-18H2,1-3H3,(H,28,29)


name: Pentasodium hydrogen C,C',C''-nitrilotris(methylphosphonate)
cas: 2235-43-0
formula: C3H12NO9P3.5Na
inchikey: OSBMVGFXROCQIZ-UHFFFAOYSA-I
norman_susdat_id: NS00082877
smiles: [Na+].[Na+].[Na+].[Na+].[Na+].OP(=O)([O-])CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-]
inchi:
InChI=1/C3H12NO9P3.5Na/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13;;;;;/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13);;;;;/q;5*+1/p-5


name: Ag7088
cas: 223537-30-2
dtxsid: DTXSID20870262
formula: C31H39FN4O7
inchikey: CAYJBRBGZBCZKO-BHGBQCOSSA-N
norman_susdat_id: NS00069574
pubchem_cid: 6440352
smiles: CCOC(=O)/C=C/[C@H](C[C@@H]1CCNC1=O)NC(=O)[C@@H](CC(=O)[C@@H](NC(=O)c1cc(C)on1)C(C)C)Cc1ccc(F)cc1
inchi:
InChI=1S/C31H39FN4O7/c1-5-42-27(38)11-10-24(16-21-12-13-33-29(21)39)34-30(40)22(15-20-6-8-23(32)9-7-20)17-26(37)28(18(2)3)35-31(41)25-14-19(4)43-36-25/h6-11,14,18,21-22,24,28H,5,12-13,15-17H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)/b11-10+/t21-,22+,24+,28-/m0/s1


name: Benzoic acid, compound with dicyclohexylamine (1:1)
cas: 22355-34-6
formula: C12H23N.C7H6O2
inchikey: QNNPHOLOYSXYNU-UHFFFAOYSA-N
norman_susdat_id: NS00084681
smiles: OC(=O)c1ccccc1.C2CCC(CC2)NC3CCCCC3
inchi:
InChI=1/C12H23N.C7H6O2/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;8-7(9)6-4-2-1-3-5-6/h11-13H,1-10H2;1-5H,(H,8,9)


cas: 223557-70-8
dtxsid: DTXSID30882977
norman_susdat_id: NS00109979
name:
1-Propanamine, 3-(triethoxysilyl)-, reaction products with Et esters of reduced polymd. oxidized poly(tetrafluoroethylene)


cas: 223586-53-6
dtxsid: DTXSID20882648
norman_susdat_id: NS00109604
name:
Alcohols, C8-14, γ-ω-perfluoro, polymers with 5-amino-1,3,3-trimethylcyclohexanemethanamine, carbonic acid, 1,6-diisocyanatohexane, 1,6-hexanediol, 1,1'-methylenebis[4-isocyanatocyclohexane] and trimethylolpropane


name: Estriol tripropionate
cas: 2236-31-9
chemspiderid: 92362
dtxsid: DTXSID4057689
formula: C27H36O6
inchikey: ONMZMZJEZHMWQL-REUUDLSRSA-N
norman_susdat_id: NS00027150
pubchem_cid: 102232
smiles: CCC(=O)O[C@@H]1C[C@H]2[C@@H]3CCc4c(ccc(OC(=O)CC)c4)[C@H]3CC[C@]2(C)[C@H]1OC(=O)CC
inchi:
InChI=1S/C27H36O6/c1-5-23(28)31-17-9-11-18-16(14-17)8-10-20-19(18)12-13-27(4)21(20)15-22(32-24(29)6-2)26(27)33-25(30)7-3/h9,11,14,19-22,26H,5-8,10,12-13,15H2,1-4H3/t19-,20-,21+,22-,26+,27+/m1/s1


name: Topramezone M670H05
cas: 223646-24-0
chemspiderid: 11494005
formula: C12H13N1O5S1
inchikey: JHIDHJCCPYAESR-UHFFFAOYSA-N
norman_susdat_id: NS00003158
pubchem_cid: 15477476
smiles: Cc1c(ccc(c1C1=NOCC1)S(C)(=O)=O)C(O)=O
inchi:
InChI=1S/C12H13NO5S/c1-7-8(12(14)15)3-4-10(19(2,16)17)11(7)9-5-6-18-13-9/h3-4H,5-6H2,1-2H3,(H,14,15)


name: HC BLUE NO. 8
cas: 22366-99-0
chemspiderid: 80939
formula: C18H19N3O2
inchikey: MLDHMLJPHZYBDV-UHFFFAOYSA-N
norman_susdat_id: NS00013724
pubchem_cid: 89677
smiles: CNc1ccc(NCCCN)c2C(=O)c3ccccc3C(=O)c12
inchi:
InChI=1S/C18H19N3O2/c1-20-13-7-8-14(21-10-4-9-19)16-15(13)17(22)11-5-2-3-6-12(11)18(16)23/h2-3,5-8,20-21H,4,9-10,19H2,1H3


name: Mirabegron
cas: 223673-61-8
chemspiderid: 8041219
formula: C21H24N4O2S1
inchikey: PBAPPPCECJKMCM-UHFFFAOYSA-N
norman_susdat_id: NS00040629
pubchem_cid: 9865528
smiles: Nc1nc(CC(=O)Nc2ccc(CCNCC(O)c3ccccc3)cc2)cs1
inchi:
InChI=1S/C21H24N4O2S/c22-21-25-18(14-28-21)12-20(27)24-17-8-6-15(7-9-17)10-11-23-13-19(26)16-4-2-1-3-5-16/h1-9,14,19,23,26H,10-13H2,(H2,22,25)(H,24,27)


name: Monensin, monosodium salt
cas: 22373-78-0
formula: C36H62O11.Na
inchikey: XOIQMTLWECTKJL-UHFFFAOYSA-M
norman_susdat_id: NS00083390
smiles: CCC1(CCC(O1)C2(C)CCC3(CC(O)C(C)C(O3)C(C)C(OC)C(C)C(=O)O[Na])O2)C4OC(CC4C)C5OC(O)(CO)C(C)CC5C
inchi:
InChI=1/C36H62O11.Na/c1-10-34(31-20(3)16-26(43-31)28-19(2)15-21(4)36(41,18-37)46-28)12-11-27(44-34)33(8)13-14-35(47-33)17-25(38)22(5)30(45-35)23(6)29(42-9)24(7)32(39)40;/h19-31,37-38,41H,10-18H2,1-9H3,(H,39,40);/q;+1/p-1


name: Psychosine
cas: 2238-90-6
chemspiderid: 17215986
formula: C24H47N1O7
inchikey: HHJTWTPUPVQKNA-COTUJBGDSA-N
norman_susdat_id: NS00014910
pubchem_cid: 6433325
smiles: CCCCCCCCCCCCCC=CC(O)C(N)COC1OC(CO)C(O)C(O)C1O
inchi:
InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+/t18?,19?,20-,21+,22+,23-,24-/m1/s1


name: 1-Cyclohexyl-5,5-diethylbarbituric acid
cas: 22384-24-3
chemspiderid: 80944
dtxsid: DTXSID80176914
formula: C14H22N2O3
inchikey: MWUFANQZMIAZHV-UHFFFAOYSA-N
norman_susdat_id: NS00027154
pubchem_cid: 89684
smiles: CCC1(CC)C(=O)NC(=O)N(C2CCCCC2)C1=O
inchi:
InChI=1S/C14H22N2O3/c1-3-14(4-2)11(17)15-13(19)16(12(14)18)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3,(H,15,17,19)


cas: 223929-64-4
dtxsid: DTXSID00882707
norman_susdat_id: NS00108898
name:
Butanedioic acid, 2-hexadecyl-, 1-[5-[[5-[[1,1,2,2,3,3,4,4,5,5-decafluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)pentyl]oxy]-1,1,2,2,3,3,4,4,5,5-decafluoropentyl]oxy]-2,2,3,3,4,4,5,5-octafluoropentyl] ester


name: 9-Octadecenoic acid (9Z)-, tetradecyl ester
cas: 22393-85-7
chebiid: CHEBI:165694
chemspiderid: 4517130
dtxsid: DTXSID6066787
formula: C32H62O2
inchikey: DHZWALZKPWZSMA-ZCXUNETKSA-N
norman_susdat_id: NS00008866
pubchem_cid: 5365034
smiles: CCCCCCCCCCCCCCOC(=O)CCCCCCCC=C/CCCCCCCC
inchi:
InChI=1S/C32H62O2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32(33)34-31-29-27-25-23-21-16-14-12-10-8-6-4-2/h17-18H,3-16,19-31H2,1-2H3/b18-17-


name: 9-Octadecenoic acid (9Z)-, hexadecyl ester
cas: 22393-86-8
chebiid: CHEBI:75622
chemspiderid: 4526656
dtxsid: DTXSID1066788
formula: C34H66O2
inchikey: JYTMDBGMUIAIQH-ZPHPHTNESA-N
norman_susdat_id: NS00013445
pubchem_cid: 5377655
smiles: CCCCCCCCCCCCCCCCOC(=O)CCCCCCCC=C/CCCCCCCC
inchi:
InChI=1S/C34H66O2/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34(35)36-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h17,19H,3-16,18,20-33H2,1-2H3/b19-17-


name: Icosyl oleate
cas: 22393-88-0
chebiid: CHEBI:75628
formula: C38H74O2
inchikey: HKJBUPVMFYBSHI-PYCFMQQDSA-N
norman_susdat_id: NS00050250
pubchem_cid: 6436542
smiles: O=C(OCCCCCCCCCCCCCCCCCCCC)CCCCCCCC=CCCCCCCCC
inchi:
InChI=1/C38H74O2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-40-38(39)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h18,22H,3-17,19-21,23-37H2,1-2H3


name: Eicosanoic acid, (9Z)-9-octadecen-1-yl ester
cas: 22393-96-0
chebiid: CHEBI:165695
chemspiderid: 4519191
dtxsid: DTXSID90885202
formula: C38H74O2
inchikey: HWRYIWKGLJIMLG-ZZEZOPTASA-N
norman_susdat_id: NS00013922
pubchem_cid: 5367705
smiles: CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCC=C/CCCCCCCC
inchi:
InChI=1S/C38H74O2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h18,20H,3-17,19,21-37H2,1-2H3/b20-18-


name: 21-Valeratebetamethasone
cas: 2240-28-0
chemspiderid: 83881
dtxsid: DTXSID30945051
formula: C27H37FO6
inchikey: FEROCCAEIIKMJT-SUYDQAKGSA-N
norman_susdat_id: NS00113860
pubchem_cid: 92922
inchi:
InChI=1S/C27H37FO6/c1-5-6-7-23(32)34-15-22(31)27(33)16(2)12-20-19-9-8-17-13-18(29)10-11-24(17,3)26(19,28)21(30)14-25(20,27)4/h10-11,13,16,19-21,30,33H,5-9,12,14-15H2,1-4H3/t16-,19-,20-,21-,24-,25-,26-,27-/m0/s1

smiles:
[H][C@]1(C)C[C@@]2([H])[C@]3([H])CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@]([H])(O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)CCCC


name: Diethyl [3-(triethoxysilyl)propyl]malonate
cas: 22408-96-4
dtxsid: DTXSID10176942
formula: C16H32O7Si
inchikey: RKNYOHXRCRXQOS-UHFFFAOYSA-N
norman_susdat_id: NS00049534
pubchem_cid: 89698
smiles: O=C(OCC)C(C(=O)OCC)CCC[Si](OCC)(OCC)OCC
inchi:
InChI=1/C16H32O7Si/c1-6-19-15(17)14(16(18)20-7-2)12-11-13-24(21-8-3,22-9-4)23-10-5/h14H,6-13H2,1-5H3


name: (2-phenoxyethyl)triphenylphosphonium bromide
cas: 22409-83-2
dtxsid: DTXSID00945063
formula: C26H24OP
inchikey: QFIVZQJPMLZRIS-UHFFFAOYSA-M
norman_susdat_id: NS00049562
pubchem_cid: 2778279
smiles: [Br-].O(C=1C=CC=CC1)CC[P+](C=2C=CC=CC2)(C=3C=CC=CC3)C=4C=CC=CC4
inchi:
InChI=1/C26H24OP.BrH/c1-5-13-23(14-6-1)27-21-22-28(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-20H,21-22H2;1H/q+1;/p-1


name: 4,6-Disulphoisophthalic acid
cas: 22411-53-6
chemspiderid: 80959
dtxsid: DTXSID90176945
formula: C8H6O10S2
inchikey: QZVPBBKGFDYOJB-UHFFFAOYSA-N
norman_susdat_id: NS00027161
pubchem_cid: 89699
smiles: OC(=O)c1cc(C(=O)O)c(cc1S(=O)(=O)O)S(=O)(=O)O
inchi:
InChI=1S/C8H6O10S2/c9-7(10)3-1-4(8(11)12)6(20(16,17)18)2-5(3)19(13,14)15/h1-2H,(H,9,10)(H,11,12)(H,13,14,15)(H,16,17,18)


name: Dodecanoic acid, tetradecyl ester
cas: 22412-97-1
chemspiderid: 80960
dtxsid: DTXSID5066792
formula: C26H52O2
inchikey: FNMPODAQERUMDD-UHFFFAOYSA-N
norman_susdat_id: NS00021870
pubchem_cid: 89700
smiles: CCCCCCCCCCCCCCOC(=O)CCCCCCCCCCC
inchi:
InChI=1S/C26H52O2/c1-3-5-7-9-11-13-14-15-17-19-21-23-25-28-26(27)24-22-20-18-16-12-10-8-6-4-2/h3-25H2,1-2H3


name: Icosyl myristate
cas: 22413-00-9
chemspiderid: 80961
dtxsid: DTXSID50176946
formula: C34H68O2
inchikey: SIRGJSXHZWCMOB-UHFFFAOYSA-N
norman_susdat_id: NS00027162
pubchem_cid: 89701
smiles: CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCC
inchi:
InChI=1S/C34H68O2/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-14-12-10-8-6-4-2/h3-33H2,1-2H3


name: Icosyl palmitate
cas: 22413-01-0
chebiid: CHEBI:84065
chemspiderid: 2509
dtxsid: DTXSID10176947
formula: C36H72O2
inchikey: OMQAAHBXTQQRLA-UHFFFAOYSA-N
norman_susdat_id: NS00027163
pubchem_cid: 89702
smiles: CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCC
inchi:
InChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-18-19-20-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-16-14-12-10-8-6-4-2/h3-35H2,1-2H3


name: Eicosyl stearate
cas: 22413-02-1
chemspiderid: 80963
dtxsid: DTXSID0066793
formula: C38H76O2
inchikey: SOCXDNMHDNVKIL-UHFFFAOYSA-N
norman_susdat_id: NS00027164
pubchem_cid: 89703
smiles: CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C38H76O2/c1-3-5-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35-37-40-38(39)36-34-32-30-28-26-24-22-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3


name: Docosyl stearate
cas: 22413-03-2
chemspiderid: 543084
dtxsid: DTXSID5066794
formula: C40H80O2
inchikey: SRKUMCYSWLWLLS-UHFFFAOYSA-N
norman_susdat_id: NS00027165
pubchem_cid: 625175
smiles: CCCCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C40H80O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3


name: Anthranoyllycoctonine
cas: 22413-78-1
chebiid: CHEBI:2759
chemspiderid: 441708
formula: C32H46N2O8
inchikey: NNDHDYDFEDRMGH-CAEIVAEBSA-N
norman_susdat_id: NS00094355
pubchem_cid: 390313
smiles:
CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2[C@@H]([C@@](C31)([C@]5(C[C@@H]([C@H]6C[C@@H]4[C@@H]5[C@H]6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N


name: 2,2'-dithiobishexanoic acid
cas: 22414-91-1
dtxsid: DTXSID30945071
formula: C12H22O4S2
inchikey: MWPDZNLNSAHLMK-UHFFFAOYSA-N
norman_susdat_id: NS00048966
pubchem_cid: 31174
smiles: O=C(O)C(SSC(C(=O)O)CCCC)CCCC
inchi:
InChI=1/C12H22O4S2/c1-3-5-7-9(11(13)14)17-18-10(12(15)16)8-6-4-2/h9-10H,3-8H2,1-2H3,(H,13,14)(H,15,16)


name: Disodium 2,2'-dithiobishexanoate
cas: 22414-92-2
formula: C12H22O4S2.2Na
inchikey: CCUFANNEZUMQIH-UHFFFAOYSA-L
norman_susdat_id: NS00083402
smiles: [Na+].[Na+].CCCCC(SSC(CCCC)C(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C12H22O4S2.2Na/c1-3-5-7-9(11(13)14)17-18-10(12(15)16)8-6-4-2;;/h9-10H,3-8H2,1-2H3,(H,13,14)(H,15,16);;/q;2*+1/p-2


name: Calcium 2,2'-dithiobishexanoate
cas: 22414-93-3
formula: C12H22O4S2.Ca
inchikey: JMZNGIWKVGFPQW-UHFFFAOYSA-L
norman_susdat_id: NS00083716
smiles: [Ca+2].CCCCC(SSC(CCCC)C(=O)[O-])C(=O)[O-]
inchi:
InChI=1/C12H22O4S2.Ca/c1-3-5-7-9(11(13)14)17-18-10(12(15)16)8-6-4-2;/h9-10H,3-8H2,1-2H3,(H,13,14)(H,15,16);/q;+2/p-2


name: 6-(Hexopyranosyloxy)-3,12-dihydroxydammar-24-en-20-yl hexopyranoside
cas: 22427-39-0
chebiid: CHEBI:67987
dtxsid: DTXSID70945111
formula: C42H72O14
inchikey: YURJSTAIMNSZAE-HHNZYBFYSA-N
norman_susdat_id: NS00073634
pubchem_cid: 441923
inchi:
InChI=1S/C42H72O14/c1-20(2)10-9-13-42(8,56-37-34(52)32(50)30(48)25(19-44)55-37)21-11-15-40(6)28(21)22(45)16-26-39(5)14-12-27(46)38(3,4)35(39)23(17-41(26,40)7)53-36-33(51)31(49)29(47)24(18-43)54-36/h10,21-37,43-52H,9,11-19H2,1-8H3/t21-,22+,23-,24+,25+,26+,27-,28-,29+,30+,31-,32-,33+,34+,35-,36+,37-,39+,40+,41+,42-/m0/s1

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


name: 5α-Androstan-3,6,17-trione
cas: 2243-05-2
chemspiderid: 9697106
formula: C19H26O3
inchikey: MGUDNDBPVZPSQA-JOFNPIDHSA-N
norman_susdat_id: NS00018390
pubchem_cid: 11522319
smiles: CC12CCC(=O)CC1C(=O)CC3C2CCC4(C3CCC4=O)C
inchi:
InChI=1S/C19H26O3/c1-18-7-5-11(20)9-15(18)16(21)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h12-15H,3-10H2,1-2H3/t12-,13-,14-,15+,18+,19-/m0/s1


name: Alizarin Yellow R
cas: 2243-76-7
chemspiderid: 13265975
dtxsid: DTXSID1033163
formula: C13H9N3O5
inchikey: YVJPMMYYRNHJAU-CCEZHUSRSA-N
norman_susdat_id: NS00021063
pubchem_cid: NA
smiles: OC(=O)C1=CC(=NNc2ccc(cc2)[N+](=O)[O-])C=CC1=O
inchi:
InChI=1S/C13H9N3O5/c17-12-6-3-9(7-11(12)13(18)19)15-14-8-1-4-10(5-2-8)16(20)21/h1-7,14H,(H,18,19)/b15-9+


name: Clindamycinsulfoxid
cas: 22431-46-5
chemspiderid: 9836904
dtxsid: DTXSID60675773
formula: C18H33Cl1N2O6S1
inchikey: XSLGFIQRVCXUEU-UHFFFAOYSA-N
norman_susdat_id: NS00006177
pubchem_cid: 73046007
smiles: CCCC1CC(N(C)C1)C(=O)NC(C(C)Cl)C1OC(C(O)C(O)C1O)S(C)=O
inchi:
InChI=1S/C18H33ClN2O6S/c1-5-6-10-7-11(21(3)8-10)17(25)20-12(9(2)19)16-14(23)13(22)15(24)18(27-16)28(4)26/h9-16,18,22-24H,5-8H2,1-4H3,(H,20,25)


name: Stearyl arachidate
cas: 22432-79-7
chemspiderid: 80969
dtxsid: DTXSID0066797
formula: C38H76O2
inchikey: XPRSWAIUFMEQLF-UHFFFAOYSA-N
norman_susdat_id: NS00027170
pubchem_cid: 89710
smiles: CCCCCCCCCCCCCCCCCCCC(=O)OCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C38H76O2/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-38(39)40-37-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h3-37H2,1-2H3


name: Eicosanoic acid, eicosyl ester
cas: 22432-80-0
chemspiderid: 80970
dtxsid: DTXSID5066798
formula: C40H80O2
inchikey: VJFBRZCPEBSUHG-UHFFFAOYSA-N
norman_susdat_id: NS00027171
pubchem_cid: 89711
smiles: CCCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCCCCCCCCCCCCC
inchi:
InChI=1S/C40H80O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-42-40(41)38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-39H2,1-2H3


name: Retapamulin
cas: 224452-66-8
chemspiderid: 30791844
dtxsid: DTXSID00870265
formula: C30H47N1O4S1
inchikey: STZYTFJPGGDRJD-NJUFAHRVSA-N
norman_susdat_id: NS00005412
pubchem_cid: 23725003
inchi:
InChI=1S/C30H47NO4S/c1-7-28(4)16-24(35-25(33)17-36-22-14-20-8-9-21(15-22)31(20)6)29(5)18(2)10-12-30(19(3)27(28)34)13-11-23(32)26(29)30/h7,18-22,24,26-27,34H,1,8-17H2,2-6H3/t18-,19+,20-,21+,22?,24-,26+,27+,28-,29-,30+/m1/s1

smiles:
C[C@@H]1CC[C@@]23CCC(=O)[C@H]2[C@@]1(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]3C)OC(=O)CSC1C[C@@H]2CC[C@H](C1)N2C


name: Bulnesol
cas: 22451-73-6
chebiid: CHEBI:167421
dtxsid: DTXSID4051873
formula: C15H26O
inchikey: LGOFSGDSFQNIAT-SCRDCRAPSA-N
norman_susdat_id: NS00095836
smiles: C[C@H]1CCC2=C(C)CC[C@H](C[C@@H]12)C(C)(C)O
inchi:
InChI=1S/C15H26O/c1-10-5-7-12(15(3,4)16)9-14-11(2)6-8-13(10)14/h11-12,14,16H,5-9H2,1-4H3/t11-,12+,14-/m0/s1


name: Glyceric acid 3-(barium phosphate)
cas: 22457-55-2
formula: C3H7O7P.Ba
inchikey: IAFYHPGYCIOBCG-UHFFFAOYSA-L
norman_susdat_id: NS00084421
smiles: OC(COP1(=O)O[Ba]O1)C(=O)O
inchi:
InChI=1/C3H7O7P.Ba/c4-2(3(5)6)1-10-11(7,8)9;/h2,4H,1H2,(H,5,6)(H2,7,8,9);/q;+2/p-2/rC3H5BaO7P/c5-2(3(6)7)1-9-12(8)10-4-11-12/h2,5H,1H2,(H,6,7)


name: Benfotiamine
cas: 22457-89-2
chemspiderid: 2297665
dtxsid: DTXSID3045433
formula: C19H23N4O6P1S1
inchikey: BTNNPSLJPBRMLZ-LGMDPLHJSA-N
norman_susdat_id: NS00009727
pubchem_cid: 3032771
smiles: CC(N(Cc1cnc(C)nc1N)C=O)=C(/CCOP(O)(O)=O)SC(=O)c1ccccc1
inchi:
InChI=1S/C19H23N4O6PS/c1-13(23(12-24)11-16-10-21-14(2)22-18(16)20)17(8-9-29-30(26,27)28)31-19(25)15-6-4-3-5-7-15/h3-7,10,12H,8-9,11H2,1-2H3,(H2,20,21,22)(H2,26,27,28)/b17-13-


name: R-1-(6-(R-2-carboxypyrrolidin-1-yl)-6-oxohexanoyl)pyrrolidine-2-carboxylic acid
cas: 224624-80-0
dtxsid: DTXSID00176996
formula: C16H24N2O6
inchikey: HZLAWYIBLZNRFZ-VXGBXAGGSA-N
norman_susdat_id: NS00069687
pubchem_cid: 125516
smiles: O=C(O)[C@H]1CCCN1C(=O)CCCCC(=O)N1CCC[C@@H]1C(=O)O
inchi:
InChI=1S/C16H24N2O6/c19-13(17-9-3-5-11(17)15(21)22)7-1-2-8-14(20)18-10-4-6-12(18)16(23)24/h11-12H,1-10H2,(H,21,22)(H,23,24)/t11-,12-/m1/s1


name: Hydroxocobalamin acetate
cas: 22465-48-1
chemspiderid: 10128563
dtxsid: DTXSID8046901
formula: C62H91N13O14P1
inchikey: QHSPIHUMLGFPKX-WYVZQNDMSA-L
norman_susdat_id: NS00027193
pubchem_cid: NA
inchi:
InChI=1S/C62H91N13O14P/c1-29-20-39-40(21-30(29)2)75(28-70-39)57-52(84)53(41(27-76)87-57)89-90(85,86)88-31(3)26-69-49(83)18-19-59(8)37(22-46(66)80)56-62(11)61(10,25-48(68)82)36(14-17-45(65)79)51(74-62)33(5)55-60(9,24-47(67)81)34(12-15-43(63)77)38(71-55)23-42-58(6,7)35(13-16-44(64)78)50(72-42)32(4)54(59)73-56/h20-21,23,28,31,34-37,41,52-53,56-57,76,84H,12-19,22,24-27,73H2,1-11H3,(H2,63,77)(H2,64,78)(H2,65,79)(H2,66,80)(H2,67,81)(H2,68,82)(H,69,83)(H,85,86)/t31-,34-,35-,36-,37-,41-,52-,53-,56+,57-,59+,60-,61-,62-/m1/s1

smiles:
[Co++].CC(=O)[OH-].CC(CNC(=O)CC[C@]1(C)C(CC(=O)N)C2[N--]/C/1=C(/C)C1=N/C(=CC3=N/C(=C(/C)C4=N[C@]2(C)[C@@](C)(CC(=O)N)[C@@H]4CCC(=O)N)/[C@@](C)(CC(=O)N)[C@@H]3CCC(=O)N)/C(C)(C)C1CCC(=O)N)OP(=O)([O-])O[C@@H]1[C@@H](CO)O[C@@H]([C@@H]1O)n1cnc2c1cc(C)c(C)c2


name: Vardenafil
cas: 224785-90-4
chebiid: CHEBI:46295
chemspiderid: 99300
dtxsid: DTXSID3048318
formula: C23H32N6O4S1
inchikey: SECKRCOLJRRGGV-UHFFFAOYSA-N
norman_susdat_id: NS00004123
pubchem_cid: 110634
smiles: CCCc1nc(C)c2n1[nH]c(nc2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1
inchi:
InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)


name: CHEMBL182179
cas: 224785-98-2
chemspiderid: 8003212
dtxsid: DTXSID40431379
formula: C23H32N6O5S1
inchikey: KZFHUILKKFVOMB-UHFFFAOYSA-N
norman_susdat_id: NS00014963
pubchem_cid: 9827470
smiles: CCCc1nc(c2n1[nH]c(nc2=O)c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)CCO)C
inchi:
InChI=1S/C23H32N6O5S/c1-4-6-20-24-16(3)21-23(31)25-22(26-29(20)21)18-15-17(7-8-19(18)34-5-2)35(32,33)28-11-9-27(10-12-28)13-14-30/h7-8,15,30H,4-6,9-14H2,1-3H3,(H,25,26,31)


name: Pseudovardenafil
cas: 224788-34-5
chemspiderid: 18960738
dtxsid: DTXSID00177004
formula: C22H29N5O4S1
inchikey: QAYHPAMSDMZXJB-UHFFFAOYSA-N
norman_susdat_id: NS00005961
pubchem_cid: 18712373
smiles: CCCc1nc(C)c2n1[nH]c(nc2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCCCC1
inchi:
InChI=1S/C22H29N5O4S/c1-4-9-19-23-15(3)20-22(28)24-21(25-27(19)20)17-14-16(10-11-18(17)31-5-2)32(29,30)26-12-7-6-8-13-26/h10-11,14H,4-9,12-13H2,1-3H3,(H,24,25,28)


name: 2-(2-Ethoxyphenyl)-5-methyl-7-propylimidazo[5,1-f][1,2,4]triazin-4(1H)-one
cas: 224789-21-3
chemspiderid: 8142128
dtxsid: DTXSID80433458
formula: C17H20N4O2
inchikey: YRRWQMBIMZMVDB-UHFFFAOYSA-N
norman_susdat_id: NS00009322
pubchem_cid: 9966536
smiles: CCCc1nc(C)c2n1[nH]c(nc2=O)-c1ccccc1OCC
inchi:
InChI=1S/C17H20N4O2/c1-4-8-14-18-11(3)15-17(22)19-16(20-21(14)15)12-9-6-7-10-13(12)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,20,22)


cas: 224790-87-8
dtxsid: DTXSID60882869
norman_susdat_id: NS00110986
name:
2-Propenoic acid, 2-methyl-, 2-ethylhexyl ester, polymer with .gamma.-.omega.-perfluoro-C8-20-alkyl acrylate and polyethylene glycolmonomethacrylate


cas: 224790-97-0
dtxsid: DTXSID50882838
norman_susdat_id: NS00110649
name:
2-Propenoic acid, .gamma.-.omega.-perfluoro-C8-20-alkyl esters, polymer with polyethylene glycol monomethacrylate and polypropylene glycol monomethacrylate


name: 1,3,4,14b-tetrahydro-2,7-dimethyl-2H-dibenzo[b,f]pyrazino[1,2-d][1,4]oxazepine
cas: 22485-08-1
dtxsid: DTXSID60945160
formula: C18H20N2O
inchikey: AQCUOHAOVDYWGZ-UHFFFAOYSA-N
norman_susdat_id: NS00050858
pubchem_cid: 161391
smiles: O1C2=CC=C(C=C2N3CCN(C)CC3C=4C=CC=CC14)C
inchi:
InChI=1/C18H20N2O/c1-13-7-8-18-15(11-13)20-10-9-19(2)12-16(20)14-5-3-4-6-17(14)21-18/h3-8,11,16H,9-10,12H2,1-2H3


name: exo-6-(1,7,7-Trimethylbicyclo(2.2.1)hept-2-yl)-m-cresol
cas: 22488-23-9
chemspiderid: 80990
dtxsid: DTXSID90177013
formula: C17H24O1
inchikey: NYYGACIUGBJQHR-IFIJOSMWSA-N
norman_susdat_id: NS00027199
pubchem_cid: 89731
smiles: Cc1cc(O)c(cc1)[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C
inchi:
InChI=1S/C17H24O/c1-11-5-6-13(15(18)9-11)14-10-12-7-8-17(14,4)16(12,2)3/h5-6,9,12,14,18H,7-8,10H2,1-4H3/t12-,14+,17+/m1/s1


name: Clobuzarit
cas: 22494-47-9
chebiid: CHEBI:135294
chemspiderid: 64749
dtxsid: DTXSID8020335
formula: C17H17Cl1O3
inchikey: UGOFYAXVVVXMQT-UHFFFAOYSA-N
norman_susdat_id: NS00027200
pubchem_cid: 71697
smiles: CC(C)(OCc1ccc(cc1)c1ccc(Cl)cc1)C(=O)O
inchi:
InChI=1S/C17H17ClO3/c1-17(2,16(19)20)21-11-12-3-5-13(6-4-12)14-7-9-15(18)10-8-14/h3-10H,11H2,1-2H3,(H,19,20)


name: 2-(2-Methylpropoxy)-1,2-diphenylethanone
cas: 22499-12-3
chemspiderid: 81978
dtxsid: DTXSID6051485
formula: C18H20O2
inchikey: JMVZGKVGQDHWOI-UHFFFAOYNA-N
norman_susdat_id: NS00027201
pubchem_cid: NA
smiles: CC(C)COC(C(=O)c1ccccc1)c1ccccc1
inchi:
InChI=1S/C18H20O2/c1-14(2)13-20-18(16-11-7-4-8-12-16)17(19)15-9-5-3-6-10-15/h3-12,14,18H,13H2,1-2H3/t18-/m0/s1


cas: 2250-98-8
chemspiderid: 20088035
dtxsid: DTXSID40883819
formula: C36H27F51N3O10P1S3
inchikey: IIDCKPVDJNZQHD-UHFFFAOYSA-N
norman_susdat_id: NS00011369
pubchem_cid: 21151267
name:
1-Octanesulfonamide, N,N',N''-[phosphinylidynetris(oxy-2,1-ethanediyl)]tris[N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-

inchi:
InChI=1S/C36H27F51N3O10PS3/c1-4-88(102(92,93)34(82,83)28(67,68)22(55,56)16(43,44)13(37,38)19(49,50)25(61,62)31(73,74)75)7-10-98-101(91,99-11-8-89(5-2)103(94,95)35(84,85)29(69,70)23(57,58)17(45,46)14(39,40)20(51,52)26(63,64)32(76,77)78)100-12-9-90(6-3)104(96,97)36(86,87)30(71,72)24(59,60)18(47,48)15(41,42)21(53,54)27(65,66)33(79,80)81/h4-12H2,1-3H3

smiles:
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)[S](=O)(=O)N(CC)CCO[P](=O)(OCCN(CC)[S](C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(=O)=O)OCCN(CC)[S](=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F


cas: 22519-99-9
formula: C27H30O16.xNa
inchikey: HYQDOQKYLVOQGY-ZAAWVBGYSA-N
norman_susdat_id: NS00084012
name:
3-[[6-O-(6-deoxy-a-L-mannopyranosyl)-ß-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one, sodium salt

inchi:
InChI=1/C27H30O16.Na/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9;/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3;/q;+1

smiles:
[Na+].C[C@@H]1O[C@@H](OC[C@H]2O[C@@H](OC3=C(Oc4cc(O)cc(O)c4C3=O)c5ccc(O)c(O)c5)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@H](O)[C@H]1O


name: 2,2,4-Trimethyl-1,3- pentanediol diisobutyrate
cas: 22527-63-5
chemspiderid: 81982
dtxsid: DTXSID3027821
formula: C19H28O4
inchikey: FFSJSGNXYKUSCQ-UHFFFAOYNA-N
norman_susdat_id: NS00020170
pubchem_cid: NA
smiles: CC(C)C(OC(=O)c1ccccc1)C(C)(C)COC(=O)C(C)C
inchi:
InChI=1S/C19H28O4/c1-13(2)16(19(5,6)12-22-17(20)14(3)4)23-18(21)15-10-8-7-9-11-15/h7-11,13-14,16H,12H2,1-6H3/t16-/m1/s1


cas: 22535-42-8
formula: C22H36O8Sn
inchikey: QWKDQXNGJACGFP-VGKOASNMSA-L
norman_susdat_id: NS00049595
pubchem_cid: 73307686
smiles: O=C(OC(C)C)C=CC(=O)O[Sn](OC(=O)C=CC(=O)OC(C)C)(CCCC)CCCC
name:
Isopropyl (Z,Z)-9,9-dibutyl-2-methyl-4,7,11-trioxo-3,8,10-trioxa-9-stannatetradeca-5,12-dien-14-oate

inchi:
InChI=1/2C7H10O4.2C4H9.Sn/c2*1-5(2)11-7(10)4-3-6(8)9;2*1-3-4-2;/h2*3-5H,1-2H3,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2/rC22H36O8Sn/c1-7-9-15-31(16-10-8-2,29-21(25)13-11-19(23)27-17(3)4)30-22(26)14-12-20(24)28-18(5)6/h11-14,17-18H,7-10,15-16H2,1-6H3


name: 6,6'-(2,4,8,10-Tetraoxaspiro(5.5)undecane-3,9-diyldiethylene)bis(1,3,5-triazine 2,4-diamine)
cas: 22535-90-6
chemspiderid: 81002
dtxsid: DTXSID50177054
formula: C17H26N10O4
inchikey: DUZLHGMYNVZMCO-UHFFFAOYSA-N
norman_susdat_id: NS00027209
pubchem_cid: 89744
smiles: Nc1nc(CCC2OCC3(CO2)COC(CCc2nc(N)nc(N)n2)OC3)nc(N)n1
inchi:
InChI=1S/C17H26N10O4/c18-13-22-9(23-14(19)26-13)1-3-11-28-5-17(6-29-11)7-30-12(31-8-17)4-2-10-24-15(20)27-16(21)25-10/h11-12H,1-8H2,(H4,18,19,22,23,26)(H4,20,21,24,25,27)/t11-,12-,17-/m0/s1


name: Symphytine
cas: 22571-95-5
chemspiderid: 4445068
dtxsid: DTXSID1021297
formula: C20H31NO6
inchikey: MVWPTZQHBOWRTF-OEQXRFFVSA-N
norman_susdat_id: NS00094627
pubchem_cid: 5281754
smiles: CC=C(/C)C(=O)O[C@@H]1CCN2CC=C(COC(=O)C(O)(C(C)C)C(C)O)[C@H]12
inchi:
InChI=1S/C20H31NO6/c1-6-13(4)18(23)27-16-8-10-21-9-7-15(17(16)21)11-26-19(24)20(25,12(2)3)14(5)22/h6-7,12,14,16-17,22,25H,8-11H2,1-5H3/b13-6+/t14?,16-,17-,20?/m1/s1


name: [2-(benzylthio)ethyl]ammonium hydrogen malate
cas: 22572-37-8
dtxsid: DTXSID60945226
formula: C4H6O5
inchikey: PYVXEGXCZNNDNS-UHFFFAOYSA-M
norman_susdat_id: NS00049671
pubchem_cid: NA
smiles: O=C([O-])CC(O)C(=O)[O-].S(CC=1C=CC=CC1)CC[NH3+]
inchi:
InChI=1/C9H13NS.C4H6O5/c10-6-7-11-8-9-4-2-1-3-5-9;5-2(4(8)9)1-3(6)7/h1-5H,6-8,10H2;2,5H,1H2,(H,6,7)(H,8,9)/p-1


name: Cholest-5-en-3ß-yl p-chlorobenzoate
cas: 22575-27-5
dtxsid: DTXSID10945231
formula: C34H49ClO2
inchikey: LOSYTXYCFKYHMJ-AESKLMAPSA-N
norman_susdat_id: NS00050243
pubchem_cid: 21116649
smiles: O=C(OC1CC2=CCC3C(CCC4(C)C(CCC34)C(C)CCCC(C)C)C2(C)CC1)C5=CC=C(Cl)C=C5
inchi:
InChI=1/C34H49ClO2/c1-22(2)7-6-8-23(3)29-15-16-30-28-14-11-25-21-27(37-32(36)24-9-12-26(35)13-10-24)17-19-33(25,4)31(28)18-20-34(29,30)5/h9-13,22-23,27-31H,6-8,14-21H2,1-5H3


name: C.I.Disperse Blue 281
cas: 22578-86-5
chemspiderid: 81016
dtxsid: DTXSID9051876
formula: C20H20Br1N7O6
inchikey: CFCALFPBVJLIHA-OCOZRVBESA-N
norman_susdat_id: NS00021064
pubchem_cid: NA
smiles: CCN(CCC#N)c1cc(NC(=O)C)c(cc1OC)N=Nc1c(Br)cc(cc1[N+](=O)[O-])[N+](=O)[O-]
inchi:
InChI=1S/C20H20BrN7O6/c1-4-26(7-5-6-22)17-10-15(23-12(2)29)16(11-19(17)34-3)24-25-20-14(21)8-13(27(30)31)9-18(20)28(32)33/h8-11H,4-5,7H2,1-3H3,(H,23,29)/b25-24+


name: N,N'-(1,4-Phenylenedicarbonyl)diglycine
cas: 22578-94-5
chemspiderid: 81017
dtxsid: DTXSID20177102
formula: C12H12N2O6
inchikey: SNKLTOILIHVGIH-UHFFFAOYSA-N
norman_susdat_id: NS00027218
pubchem_cid: 89759
smiles: OC(=O)CNC(=O)c1ccc(cc1)C(=O)NCC(=O)O
inchi:
InChI=1S/C12H12N2O6/c15-9(16)5-13-11(19)7-1-2-8(4-3-7)12(20)14-6-10(17)18/h1-4H,5-6H2,(H,13,19)(H,14,20)(H,15,16)(H,17,18)


name: Ilicicolin A
cas: 22581-06-2
formula: C23H31ClO3
inchikey: MHWOMRMBQGSTFS-JTCWOHKRSA-N
norman_susdat_id: NS00097197
smiles: CC1=C(C(=C(C(=C1Cl)O)C/C=C(C)/CC/C=C(C)/CCC=C(C)C)O)C=O
inchi:
InChI=1S/C23H31ClO3/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-19-22(26)20(14-25)18(5)21(24)23(19)27/h8,10,12,14,26-27H,6-7,9,11,13H2,1-5H3/b16-10+,17-12+


name: Acetamide, N-[3-[(2-cyanoethyl)(2-hydroxyethyl)amino]-4-methoxyphenyl]-
cas: 22588-78-9
chemspiderid: 81021
dtxsid: DTXSID6066810
formula: C14H19N3O3
inchikey: BODCCJMIZYPXCB-UHFFFAOYSA-N
norman_susdat_id: NS00027223
pubchem_cid: 89763
smiles: COc1ccc(NC(=O)C)cc1N(CCO)CCC#N
inchi:
InChI=1S/C14H19N3O3/c1-11(19)16-12-4-5-14(20-2)13(10-12)17(8-9-18)7-3-6-15/h4-5,10,18H,3,7-9H2,1-2H3,(H,16,19)


name: Lup-20(29)-en-28-oic acid, 3-hydroxy-, methyl ester, (3ß)-
cas: 2259-06-5
dtxsid: DTXSID90945239
formula: C31H50O3
inchikey: XNZIMRUZBOZIBC-JVRMVBBZSA-N
norman_susdat_id: NS00049164
pubchem_cid: 73493
smiles: O=C(OC)C12CCC(C(=C)C)C2C3CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CC1
inchi:
InChI=1/C31H50O3/c1-19(2)20-11-16-31(26(33)34-8)18-17-29(6)21(25(20)31)9-10-23-28(5)14-13-24(32)27(3,4)22(28)12-15-30(23,29)7/h20-25,32H,1,9-18H2,2-8H3


name: Cyclothiazide
cas: 2259-96-3
chemspiderid: 2807
dtxsid: DTXSID3022871
formula: C14H16Cl1N3O4S2
inchikey: BOCUKUHCLICSIY-UHFFFAOYNA-N
norman_susdat_id: NS00027226
pubchem_cid: NA
smiles: NS(=O)(=O)c1cc2c(NC(NS2(=O)=O)C2CC3CC2C=C3)cc1Cl
inchi:
InChI=1S/C14H16ClN3O4S2/c15-10-5-11-13(6-12(10)23(16,19)20)24(21,22)18-14(17-11)9-4-7-1-2-8(9)3-7/h1-2,5-9,14,17-18H,3-4H2,(H2,16,19,20)/t7-,8+,9+,14+/m1/s1


name: BACITRACIN
cas: 22601-59-8
chemspiderid: 4976218
formula: C66H103N17O16S1
inchikey: VRKHYMXTJQCIND-UHFFFAOYSA-N
norman_susdat_id: NS00014317
pubchem_cid: 2283
inchi:
InChI=1S/C66H103N17O16S/c1-9-35(6)52(69)66-81-48(32-100-66)63(97)76-43(26-34(4)5)58(92)75-42(22-23-50(85)86)57(91)82-53(36(7)10-2)64(98)71-25-16-15-20-40-55(89)73-41(21-17-24-67)56(90)83-54(37(8)11-3)65(99)80-44(27-38-18-13-12-14-19-38)59(93)77-45(28-39-31-70-33-72-39)60(94)79-47(30-51(87)88)62(96)78-46(29-49(68)84)61(95)74-40/h12-14,18-19,31,33-37,40-48,52-54H,9-11,15-17,20-30,32,67,69H2,1-8H3,(H2,68,84)(H,70,72)(H,71,98)(H,73,89)(H,74,95)(H,75,92)(H,76,97)(H,77,93)(H,78,96)(H,79,94)(H,80,99)(H,82,91)(H,83,90)(H,85,86)(H,87,88)/t35?,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,48?,52?,53-,54-/m0/s1

smiles:
CCC(C)C(N)C1=NC(CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCCCC[C@@H]2NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](Cc3[nH]cnc3)NC(=O)[C@@H](Cc4ccccc4)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC


name: Niludipine
cas: 22609-73-0
dtxsid: DTXSID20945267
formula: C25H34N2O8
inchikey: VZWXXKDFACOXNT-UHFFFAOYSA-N
norman_susdat_id: NS00051946
pubchem_cid: 89767
smiles: O=C(OCCOCCC)C1=C(NC(=C(C(=O)OCCOCCC)C1C=2C=CC=C(C2)N(=O)=O)C)C
inchi:
InChI=1/C25H34N2O8/c1-5-10-32-12-14-34-24(28)21-17(3)26-18(4)22(25(29)35-15-13-33-11-6-2)23(21)19-8-7-9-20(16-19)27(30)31/h7-9,16,23,26H,5-6,10-15H2,1-4H3


name: (6H-Perfluorohexyl)methyl methacrylate
cas: 2261-99-6
chemspiderid: 92366
dtxsid: DTXSID70177132
formula: C11H8F12O2
inchikey: YJKHMSPWWGBKTN-UHFFFAOYSA-N
norman_susdat_id: NS00018855
pubchem_cid: 102236
smiles: CC(=C)C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
inchi:
InChI=1S/C11H8F12O2/c1-4(2)5(24)25-3-7(14,15)9(18,19)11(22,23)10(20,21)8(16,17)6(12)13/h6H,1,3H2,2H3


name: cis-Diethylstilbestrol
cas: 22610-99-7
formula: C18H20O2
inchikey: RGLYKWWBQGJZGM-ZCXUNETKSA-N
norman_susdat_id: NS00068189
pubchem_cid: 688057
smiles: CC/C(=C(CC)c1ccc(O)cc1)c1ccc(O)cc1
inchi:
InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17-


name: Acetylated glycol stearate
cas: 22613-51-0
chemspiderid: 81026
dtxsid: DTXSID90177134
formula: C22H42O4
inchikey: JSUVMLHNHUCJTE-UHFFFAOYSA-N
norman_susdat_id: NS00013338
pubchem_cid: 89768
smiles: CCCCCCCCCCCCCCCCCC(=O)OCCOC(C)=O
inchi:
InChI=1S/C22H42O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(24)26-20-19-25-21(2)23/h3-20H2,1-2H3


name: Phenol, 2-[(4-chloro-2-nitrophenyl)azo]-6-(1,1-dimethylethyl)-4-methyl-
cas: 22617-04-5
chemspiderid: 7850522
dtxsid: DTXSID6066814
formula: C17H18Cl1N3O3
inchikey: VCXHQNDCECCAOQ-UHFFFAOYSA-N
norman_susdat_id: NS00027228
pubchem_cid: NA
smiles: CC1=C/C(=NNc2c(cc(Cl)cc2)[N+](=O)[O-])/C(=O)C(=C1)C(C)(C)C
inchi:
InChI=1S/C17H18ClN3O3/c1-10-7-12(17(2,3)4)16(22)14(8-10)20-19-13-6-5-11(18)9-15(13)21(23)24/h5-9,19H,1-4H3/b20-14+


name: Tioclomarol
cas: 22619-35-8
chebiid: CHEBI:135730
dtxsid: DTXSID80875354
formula: C22H16Cl2O4S
inchikey: WRGOVNKNTPWHLZ-UHFFFAOYSA-N
norman_susdat_id: NS00053214
pubchem_cid: 54708299
smiles: O=C1OC=2C=CC=CC2C(O)=C1C(C=3SC(Cl)=CC3)CC(O)C4=CC=C(Cl)C=C4
inchi:
InChI=1/C22H16Cl2O4S/c23-13-7-5-12(6-8-13)16(25)11-15(18-9-10-19(24)29-18)20-21(26)14-3-1-2-4-17(14)28-22(20)27/h1-10,15-16,25-26H,11H2


name: 3-[3-(4-chlorophenyl)-1-(5-chloro-2-thienyl)-3-oxopropyl]-4-hydroxy-2-benzopyrone
cas: 22619-37-0
dtxsid: DTXSID90945279
formula: C22H14Cl2O4S
inchikey: NXXFFWWNTNSJQP-UHFFFAOYSA-N
norman_susdat_id: NS00051993
pubchem_cid: 54698172
smiles: O=C1OC=2C=CC=CC2C(O)=C1C(C=3SC(Cl)=CC3)CC(=O)C4=CC=C(Cl)C=C4
inchi:
InChI=1/C22H14Cl2O4S/c23-13-7-5-12(6-8-13)16(25)11-15(18-9-10-19(24)29-18)20-21(26)14-3-1-2-4-17(14)28-22(20)27/h1-10,15,26H,11H2


cas: 2262-49-9
dtxsid: DTXSID10395919
formula: C14H14F17NO4S
inchikey: JBUOTOPAJZUSGM-UHFFFAOYSA-N
norman_susdat_id: NS00109161
smiles: CCCN(CC(O)CO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
name:
N-(2,3-Dihydroxypropyl)-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-propyloctane-1-sulfonamide

inchi:
InChI=1S/C14H14F17NO4S/c1-2-3-32(4-6(34)5-33)37(35,36)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29/h6,33-34H,2-5H2,1H3


name: Tetraneurin A
cas: 22621-72-3
chebiid: CHEBI:9498
chemspiderid: 152488
dtxsid: DTXSID40177144
formula: C17H22O6
inchikey: DKYQYDPTWYXAFT-BEANVFONSA-N
norman_susdat_id: NS00094698
pubchem_cid: 174868
smiles: CC(=O)OC[C@H]1CC[C@@H]2[C@@H](OC(=O)C2=C)[C@]2(C)C(=O)CC[C@@]12O
inchi:
InChI=1S/C17H22O6/c1-9-12-5-4-11(8-22-10(2)18)17(21)7-6-13(19)16(17,3)14(12)23-15(9)20/h11-12,14,21H,1,4-8H2,2-3H3/t11-,12+,14-,16+,17-/m1/s1


name: Cinacalcet
cas: 226256-56-0
chebiid: CHEBI:48390
chemspiderid: 137743
dtxsid: DTXSID8048286
formula: C22H22F3N1
inchikey: VDHAWDNDOKGFTD-MRXNPFEDSA-N
norman_susdat_id: NS00004927
pubchem_cid: 156419
smiles: C[C@@H](NCCCc1cccc(c1)C(F)(F)F)c1cccc2ccccc12
inchi:
InChI=1S/C22H22F3N/c1-16(20-13-5-10-18-9-2-3-12-21(18)20)26-14-6-8-17-7-4-11-19(15-17)22(23,24)25/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3/t16-/m1/s1


name: N-Butyl-N-(2-hydroxyethyl)perfluoro-1-octanesulfonamide
cas: 2263-09-4
chemspiderid: 92367
dtxsid: DTXSID7062295
formula: C14H14F17N1O3S1
inchikey: AQWROZBAYZBWIH-UHFFFAOYSA-N
norman_susdat_id: NS00011332
pubchem_cid: 102237
smiles: C(N([S](=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CCCC)CO
inchi:
InChI=1S/C14H14F17NO3S/c1-2-3-4-32(5-6-33)36(34,35)14(30,31)12(25,26)10(21,22)8(17,18)7(15,16)9(19,20)11(23,24)13(27,28)29/h33H,2-6H2,1H3


name: chlorofenethazine
cas: 22632-00-4
chebiid: CHEBI:125651
chemspiderid: 56593
formula: C16H17Cl1N2S1
inchikey: ILROKGAXBGPFAI-UHFFFAOYSA-N
norman_susdat_id: NS00006493
pubchem_cid: 62861
smiles: CN(C)CCN1c2ccccc2Sc2ccc(Cl)cc12
inchi:
InChI=1S/C16H17ClN2S/c1-18(2)9-10-19-13-5-3-4-6-15(13)20-16-8-7-12(17)11-14(16)19/h3-8,11H,9-10H2,1-2H3


name: Perfluoropentadecane
cas: 2264-03-1
dtxsid: DTXSID10375110
formula: C15F32
inchikey: QKYNDPROJKKCEU-UHFFFAOYSA-N
norman_susdat_id: NS00109145
inchi:
InChI=1S/C15F32/c16-1(17,2(18,19)4(22,23)6(26,27)8(30,31)10(34,35)12(38,39)14(42,43)44)3(20,21)5(24,25)7(28,29)9(32,33)11(36,37)13(40,41)15(45,46)47

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


name: Sodium 2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptanoate
cas: 2264-25-7
dtxsid: DTXSID90635441
formula: C7HF12NaO2
inchikey: SZWOFFNEMGRGMA-UHFFFAOYSA-M
norman_susdat_id: NS00111941
smiles: [Na+].[O-]C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
inchi:
InChI=1S/C7H2F12O2.Na/c8-1(9)3(10,11)5(14,15)7(18,19)6(16,17)4(12,13)2(20)21;/h1H,(H,20,21);/q;+1/p-1


name: 1,3-Bis[4-(ethenyloxy)butyl] 2-(perfluorohexyl)ethylpropanedioate
cas: 226409-30-9
chemspiderid: 9160320
dtxsid: DTXSID50889140
formula: C23H27F13O6
inchikey: HFIWGHMGTAOCRO-UHFFFAOYSA-N
norman_susdat_id: NS00010987
pubchem_cid: 10985120
smiles: C(CC(C(=O)OCCCCOC=C)C(=O)OCCCCOC=C)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
inchi:
InChI=1S/C23H27F13O6/c1-3-39-11-5-7-13-41-16(37)15(17(38)42-14-8-6-12-40-4-2)9-10-18(24,25)19(26,27)20(28,29)21(30,31)22(32,33)23(34,35)36/h3-4,15H,1-2,5-14H2


name: Isochorismic acid | 22642-82-6
cas: 22642-82-6
chebiid: CHEBI:17582
dtxsid: DTXSID30865063
formula: C10H10O6
inchikey: NTGWPRCCOQCMGE-YUMQZZPRSA-N
norman_susdat_id: NS00069417
pubchem_cid: 189062
smiles: C=C(O[C@H]1C=CC=C(C(=O)O)[C@@H]1O)C(=O)O
inchi:
InChI=1S/C10H10O6/c1-5(9(12)13)16-7-4-2-3-6(8(7)11)10(14)15/h2-4,7-8,11H,1H2,(H,12,13)(H,14,15)/t7-,8-/m0/s1


name: Dexamethasone isonicotinate
cas: 2265-64-7
chemspiderid: 15881
dtxsid: DTXSID3057690
formula: C28H32F1N1O6
inchikey: BQTXJHAJMDGOFI-NJLPOHDGSA-N
norman_susdat_id: NS00008313
pubchem_cid: 16752
inchi:
InChI=1S/C28H32FNO6/c1-16-12-21-20-5-4-18-13-19(31)6-9-25(18,2)27(20,29)22(32)14-26(21,3)28(16,35)23(33)15-36-24(34)17-7-10-30-11-8-17/h6-11,13,16,20-22,32,35H,4-5,12,14-15H2,1-3H3/t16-,20+,21+,22+,25+,26+,27+,28+/m1/s1

smiles:
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)COC(=O)c1ccncc1


name: Rafoxanide
cas: 22662-39-1
chemspiderid: 29191
dtxsid: DTXSID5046227
formula: C19H11Cl2I2N1O3
inchikey: NEMNPWINWMHUMR-UHFFFAOYSA-N
norman_susdat_id: NS00015288
pubchem_cid: 31475
smiles: C1=CC(=CC=C1OC2=C(C=C(C=C2)NC(=O)C3=CC(=CC(=C3O)I)I)Cl)Cl
inchi:
InChI=1S/C19H11Cl2I2NO3/c20-10-1-4-13(5-2-10)27-17-6-3-12(9-15(17)21)24-19(26)14-7-11(22)8-16(23)18(14)25/h1-9,25H,(H,24,26)


name: Metipranolol
cas: 22664-55-7
chebiid: CHEBI:6897
chemspiderid: 29193
dtxsid: DTXSID4046078
formula: C17H27N1O4
inchikey: BQIPXWYNLPYNHW-UHFFFAOYSA-N
norman_susdat_id: NS00004058
pubchem_cid: 31477
smiles: CC(C)NCC(O)COc1cc(C)c(OC(C)=O)c(C)c1C
inchi:
InChI=1S/C17H27NO4/c1-10(2)18-8-15(20)9-21-16-7-11(3)17(22-14(6)19)13(5)12(16)4/h7,10,15,18,20H,8-9H2,1-6H3


name: Fosamprenavir
cas: 226700-79-4
chebiid: CHEBI:82941
chemspiderid: 116245
dtxsid: DTXSID2048296
formula: C25H36N3O9P1S1
inchikey: MLBVMOWEQCZNCC-OEMFJLHTSA-N
norman_susdat_id: NS00007849
pubchem_cid: 131536
smiles: CC(C)CN(C[C@@H](OP(O)(O)=O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)c1ccc(N)cc1
inchi:
InChI=1S/C25H36N3O9PS/c1-18(2)15-28(39(33,34)22-10-8-20(26)9-11-22)16-24(37-38(30,31)32)23(14-19-6-4-3-5-7-19)27-25(29)36-21-12-13-35-17-21/h3-11,18,21,23-24H,12-17,26H2,1-2H3,(H,27,29)(H2,30,31,32)/t21-,23-,24+/m0/s1


name: Magnesium diricinoleate
cas: 22677-47-0
formula: C18H34O3.1/2Mg
inchikey: GMIMAWFYOOIAQD-GNNYBVKZSA-L
norman_susdat_id: NS00086359
smiles: [Mg+2].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-].CCCCCC[C@@H](O)C\C=C/CCCCCCCC(=O)[O-]
inchi:
InChI=1/2C18H34O3.Mg/c2*1-2-3-4-11-14-17(19)15-12-9-7-5-6-8-10-13-16-18(20)21;/h2*9,12,17,19H,2-8,10-11,13-16H2,1H3,(H,20,21);/q;;+2/p-2


name: 7-[2-(benzylamino)ethyl]-3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione
cas: 22680-61-1
formula: C16H19N5O2
inchikey: YYJAAIPVBNSAGS-UHFFFAOYSA-N
norman_susdat_id: NS00086360
smiles: CN1C(=O)N(C)c2ncn(CCNCc3ccccc3)c2C1=O
inchi:
InChI=1/C16H19N5O2/c1-19-14-13(15(22)20(2)16(19)23)21(11-18-14)9-8-17-10-12-6-4-3-5-7-12/h3-7,11,17H,8-10H2,1-2H3


name: 9,10-dihydro-9,10-dioxoanthracene-2,6-disulphonic acid, sodium salt
cas: 22680-91-7
formula: C14H8O8S2.xNa
inchikey: UPYATISLEPWPOB-UHFFFAOYSA-M
norman_susdat_id: NS00086361
smiles: OS(=O)(=O)c1ccc2C(=O)c3cc(ccc3C(=O)c2c1)S(=O)(=O)O[Na]
inchi:
InChI=1/C14H8O8S2.Na/c15-13-9-3-1-7(23(17,18)19)5-11(9)14(16)10-4-2-8(6-12(10)13)24(20,21)22;/h1-6H,(H,17,18,19)(H,20,21,22);/q;+1/p-1/rC14H7NaO8S2/c15-23-25(21,22)8-2-4-10-12(6-8)14(17)9-3-1-7(24(18,19)20)5-11(9)13(10)16/h1-6H,(H,18,19,20)


name: 9,10-dihydro-9,10-dioxoanthracene-1,5-disulphonic acid, sodium salt
cas: 22680-92-8
formula: C14H8O8S2.xNa
inchikey: BTSHTKNKUAJMAD-UHFFFAOYSA-M
norman_susdat_id: NS00086362
smiles: OS(=O)(=O)c1cccc2C(=O)c3c(cccc3S(=O)(=O)O[Na])C(=O)c12
inchi:
InChI=1/C14H8O8S2.Na/c15-13-7-3-1-5-9(23(17,18)19)11(7)14(16)8-4-2-6-10(12(8)13)24(20,21)22;/h1-6H,(H,17,18,19)(H,20,21,22);/q;+1/p-1/rC14H7NaO8S2/c15-23-25(21,22)10-6-2-4-8-12(10)14(17)7-3-1-5-9(24(18,19)20)11(7)13(8)16/h1-6H,(H,18,19,20)


name: 1,1'-(hexadecylimino)dipropan-2-ol
cas: 2269-21-8
dtxsid: DTXSID70883822
formula: C22H47NO2
inchikey: MNDXNPPBHMRCOA-UHFFFAOYSA-N
norman_susdat_id: NS00049165
pubchem_cid: 102775
smiles: OC(C)CN(CCCCCCCCCCCCCCCC)CC(O)C
inchi:
InChI=1/C22H47NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(19-21(2)24)20-22(3)25/h21-22,24-25H,4-20H2,1-3H3


name: Aluminium tri-sec-butanolate
cas: 2269-22-9
formula: C4H10O.1/3Al
inchikey: WOZZOSDBXABUFO-UHFFFAOYSA-N
norman_susdat_id: NS00083835
smiles: CCC(C)O[Al](OC(C)CC)OC(C)CC
inchi:
InChI=1/3C4H9O.Al/c3*1-3-4(2)5;/h3*4H,3H2,1-2H3;/q3*-1;+3/rC12H27AlO3/c1-7-10(4)14-13(15-11(5)8-2)16-12(6)9-3/h10-12H,7-9H2,1-6H3


name: Dibenzo[a,l]pentacene
cas: 227-09-8
dtxsid: DTXSID40177225
formula: C30H18
inchikey: XSTMLGGLUNLJRY-UHFFFAOYSA-N
norman_susdat_id: NS00041781
pubchem_cid: 67471
smiles: C=1C=CC2=C(C1)C=CC=3C=C4C=C5C=C6C(C=CC=7C=CC=CC76)=CC5=CC4=CC32
inchi:
InChI=1/C30H18/c1-3-7-27-19(5-1)9-11-21-13-23-16-26-18-30-22(12-10-20-6-2-4-8-28(20)30)14-24(26)15-25(23)17-29(21)27/h1-18H


name: Diacetoxyscirpenol
cas: 2270-40-8
chebiid: CHEBI:4478
chemspiderid: NA
dtxsid: DTXSID80891791
formula: C19H26O7
inchikey: AUGQEEXBDZWUJY-ZLJUKNTDSA-N
norman_susdat_id: NS00018335
pubchem_cid: 91518
smiles: CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C
inchi:
InChI=1S/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3/t13-,14-,15-,16-,17-,18-,19-/m1/s1


name: Stearic acid, compound with morpholine (1:1)
cas: 22707-25-1
formula: C18H36O2.C4H9NO
inchikey: UKVYVYQRDUUCBK-UHFFFAOYSA-N
norman_susdat_id: NS00085712
smiles: CCCCCCCCCCCCCCCCCC(=O)O.C1COCCN1
inchi:
InChI=1/C18H36O2.C4H9NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-3-6-4-2-5-1/h2-17H2,1H3,(H,19,20);5H,1-4H2


name: Decyl hexyl adipate
cas: 22707-35-3
chemspiderid: 81052
dtxsid: DTXSID5066821
formula: C22H42O4
inchikey: QKZWHBZWJOJJHF-UHFFFAOYSA-N
norman_susdat_id: NS00027242
pubchem_cid: 89798
smiles: CCCCCCCCCCOC(=O)CCCCC(=O)OCCCCCC
inchi:
InChI=1S/C22H42O4/c1-3-5-7-9-10-11-12-16-20-26-22(24)18-14-13-17-21(23)25-19-15-8-6-4-2/h3-20H2,1-2H3


name: 4,4-dibutyl-1,3-dioxa-2-thia-4-stannacyclobutane 2,2-dioxide
cas: 22709-76-8
dtxsid: DTXSID00177241
formula: C8H18O4SSn
inchikey: BEOSQUOYHDCDNU-UHFFFAOYSA-L
norman_susdat_id: NS00053288
pubchem_cid: NA
smiles: O=S1(=O)O[Sn](O1)(CCCC)CCCC
inchi:
InChI=1/2C4H9.H2O4S.Sn/c2*1-3-4-2;1-5(2,3)4;/h2*1,3-4H2,2H3;(H2,1,2,3,4);/q;;;+2/p-2/rC8H18O4SSn/c1-3-5-7-14(8-6-4-2)11-13(9,10)12-14/h3-8H2,1-2H3


name: 4', 4'', 4'''-Tribenzoyl-1,3,5-triphenylbenzene
cas: 227099-60-7
dtxsid: DTXSID60177242
formula: C45H30O3
inchikey: WOOBPQGYVSIZEF-UHFFFAOYSA-N
norman_susdat_id: NS00097371
inchi:
InChI=1S/C45H30O3/c46-43(34-10-4-1-5-11-34)37-22-16-31(17-23-37)40-28-41(32-18-24-38(25-19-32)44(47)35-12-6-2-7-13-35)30-42(29-40)33-20-26-39(27-21-33)45(48)36-14-8-3-9-15-36/h1-30H

smiles:
C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C3=CC(=CC(=C3)C4=CC=C(C=C4)C(=O)C5=CC=CC=C5)C6=CC=C(C=C6)C(=O)C7=CC=CC=C7


name: 6-bromo-2-naphthyl ß-D-glucopyranosiduronic acid
cas: 22720-35-0
dtxsid: DTXSID70945398
formula: C16H15BrO7
inchikey: TYDGGWYIJKMLEO-JHZZJYKESA-N
norman_susdat_id: NS00052412
pubchem_cid: 89804
smiles: O=C(O)C1OC(OC2=CC=C3C=C(Br)C=CC3=C2)C(O)C(O)C1O
inchi:
InChI=1/C16H15BrO7/c17-9-3-1-8-6-10(4-2-7(8)5-9)23-16-13(20)11(18)12(19)14(24-16)15(21)22/h1-6,11-14,16,18-20H,(H,21,22)


name: Butylhydroxyoxostannane
cas: 2273-43-0
dtxsid: DTXSID2062298
formula: C4H10O2Sn
inchikey: WIHMDCQAEONXND-UHFFFAOYSA-M
norman_susdat_id: NS00048486
pubchem_cid: 16767
smiles: O=[Sn](O)CCCC
inchi:
InChI=1/C4H9.H2O.O.Sn/c1-3-4-2;;;/h1,3-4H2,2H3;1H2;;/q;;;+1/p-1/rC4H10O2Sn/c1-2-3-4-7(5)6/h5H,2-4H2,1H3


name: Didodecyloxostannane
cas: 2273-48-5
dtxsid: DTXSID80177264
formula: C24H50OSn
inchikey: NXMNIHPHNSDPTN-UHFFFAOYSA-N
norman_susdat_id: NS00049811
pubchem_cid: 75279
smiles: O=[Sn](CCCCCCCCCCCC)CCCCCCCCCCCC
inchi:
InChI=1/2C12H25.O.Sn/c2*1-3-5-7-9-11-12-10-8-6-4-2;;/h2*1,3-12H2,2H3;;/rC24H50OSn/c1-3-5-7-9-11-13-15-17-19-21-23-26(25)24-22-20-18-16-14-12-10-8-6-4-2/h3-24H2,1-2H3


name: Oxodiphenylstannane
cas: 2273-51-0
formula: C12H10OSn
inchikey: VPPWQRIBARKZNY-UHFFFAOYSA-N
norman_susdat_id: NS00049167
pubchem_cid: 75280
smiles: O=[Sn](C=1C=CC=CC1)C=2C=CC=CC2
inchi:
InChI=1/2C6H5.O.Sn/c2*1-2-4-6-5-3-1;;/h2*1-5H;;/rC12H10OSn/c13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H


name: Adenylyl-(2'<U+2192>5')-adenosine
cas: 2273-76-9
formula: C20H25N10O10P
inchikey: CJUIKAWANGRMQE-UHFFFAOYSA-N
norman_susdat_id: NS00049826
pubchem_cid: NA
smiles: O=P(O)(OCC1OC(N2C=NC=3C(=NC=NC32)N)C(O)C1O)OC4C(O)C(OC4N5C=NC=6C(=NC=NC65)N)CO
inchi:
InChI=1/C20H25N10O10P/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(34)11(32)8(39-19)2-37-41(35,36)40-14-12(33)7(1-31)38-20(14)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-34H,1-2H2,(H,35,36)(H2,21,23,25)(H2,22,24,26)


name: Sotirimod
cas: 227318-75-4
dtxsid: DTXSID80177269
formula: C14H17N5
inchikey: ZXBCLVSLRUWISJ-UHFFFAOYSA-N
norman_susdat_id: NS00071903
pubchem_cid: 6450818
smiles: Cc1nc2c(N)nc3cccnc3c2n1CC(C)C
inchi:
InChI=1S/C14H17N5/c1-8(2)7-19-9(3)17-12-13(19)11-10(18-14(12)15)5-4-6-16-11/h4-6,8H,7H2,1-3H3,(H2,15,18)


name: Diethyl L-cystinate dihydrochloride
cas: 22735-07-5
dtxsid: DTXSID00945407
formula: C10H20N2O4S2
inchikey: BDJZWSLXDLQPNZ-FOMWZSOGSA-N
norman_susdat_id: NS00052011
pubchem_cid: 11426
smiles: Cl.Cl.O=C(OCC)C(N)CSSCC(N)C(=O)OCC
inchi:
InChI=1/C10H20N2O4S2.2ClH/c1-3-15-9(13)7(11)5-17-18-6-8(12)10(14)16-4-2;;/h7-8H,3-6,11-12H2,1-2H3;2*1H


name: Oxydiethane-2,1-diyl cyclohexanecarboxylate
cas: 22736-03-4
dtxsid: DTXSID60945408
formula: C32H50O9
inchikey: OHDSAUOTUPOROP-UHFFFAOYSA-N
norman_susdat_id: NS00052452
pubchem_cid: NA
smiles: O=C(OCC(OC(=O)C1CCCCC1)OC(OC(=O)C2CCCCC2)COC(=O)C3CCCCC3)C4CCCCC4
inchi:
InChI=1/C32H50O9/c33-29(23-13-5-1-6-14-23)37-21-27(40-31(35)25-17-9-3-10-18-25)39-28(41-32(36)26-19-11-4-12-20-26)22-38-30(34)24-15-7-2-8-16-24/h23-28H,1-22H2


name: N2,N5-dibenzyloxycarbonyl-L-ornithine
cas: 2274-58-0
dtxsid: DTXSID10945413
formula: C21H24N2O6
inchikey: VBENHRFIEOLOJJ-SFHVURJKSA-N
norman_susdat_id: NS00048489
pubchem_cid: 7073470
smiles: O=C(OCC=1C=CC=CC1)NCCCC(NC(=O)OCC=2C=CC=CC2)C(=O)O
inchi:
InChI=1/C21H24N2O6/c24-19(25)18(23-21(27)29-15-17-10-5-2-6-11-17)12-7-13-22-20(26)28-14-16-8-3-1-4-9-16/h1-6,8-11,18H,7,12-15H2,(H,22,26)(H,23,27)(H,24,25)


name: 8,9,10-trihydroxy-7-(hydroxymethyl)-2-sulfanylidene-6-oxa-1,3-diazaspiro[4.5]decan-4-one
cas: 227458-60-8
dtxsid: DTXSID50394961
formula: C8H12N2O6S
inchikey: OEWLGQKSTDZKFN-WWHASAIZSA-N
norman_susdat_id: NS00069595
pubchem_cid: 4369162
smiles: O=C1NC(=S)N[C@@]12O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O
inchi:
InChI=1S/C8H12N2O6S/c11-1-2-3(12)4(13)5(14)8(16-2)6(15)9-7(17)10-8/h2-5,11-14H,1H2,(H2,9,10,15,17)/t2-,3-,4+,5-,8+/m1/s1


cas: 22748-58-9
dtxsid: DTXSID20945429
formula: C21H36O5
inchikey: FUTYYOXQMQKWGM-UHFFFAOYSA-N
norman_susdat_id: NS00052053
pubchem_cid: 90833
smiles: O=C(C=1C(=O)C(CCC(C)C)C(O)(C1O)C(O)CCC(C)C)CC(C)C
name:
3,4-dihydroxy-4-(1-hydroxy-4-methylpentyl)-5-(3-methylbutyl)-2-(3-methyl-1-oxobutyl)cyclopent-2-en-1-one

inchi:
InChI=1/C21H36O5/c1-12(2)7-9-15-19(24)18(16(22)11-14(5)6)20(25)21(15,26)17(23)10-8-13(3)4/h12-15,17,23,25-26H,7-11H2,1-6H3


name: N-(2-benzoyl-4-chlorophenyl)-2-bromo-N-(2,2,2-trifluoroethyl)acetamide
cas: 22753-81-7
dtxsid: DTXSID00177302
formula: C17H12BrClF3NO2
inchikey: YOHLFPANLAUXOX-UHFFFAOYSA-N
norman_susdat_id: NS00053362
pubchem_cid: 89822
smiles: O=C(C=1C=CC=CC1)C2=CC(Cl)=CC=C2N(C(=O)CBr)CC(F)(F)F
inchi:
InChI=1/C17H12BrClF3NO2/c18-9-15(24)23(10-17(20,21)22)14-7-6-12(19)8-13(14)16(25)11-4-2-1-3-5-11/h1-8H,9-10H2


name: N-[4-bromo-2-(2-pyridylcarbonyl)phenyl]benzamide
cas: 22753-88-4
dtxsid: DTXSID50945437
formula: C19H13BrN2O2
inchikey: JBFBLJZYATVKLI-UHFFFAOYSA-N
norman_susdat_id: NS00052455
pubchem_cid: 13498692
smiles: O=C(NC1=CC=C(Br)C=C1C(=O)C2=NC=CC=C2)C=3C=CC=CC3
inchi:
InChI=1/C19H13BrN2O2/c20-14-9-10-16(22-19(24)13-6-2-1-3-7-13)15(12-14)18(23)17-8-4-5-11-21-17/h1-12H,(H,22,24)


name: Atranone B
cas: 227597-62-8
dtxsid: DTXSID80894000
formula: C25H34O7
inchikey: BDGOANHBKYFDGC-KTGRICDKSA-N
norman_susdat_id: NS00094963
smiles: C/C1=C2[C@H]3[C@H]([C@@](C)(O)O[C@H]3/C(C)=CC[C@H]4C(C(C)C)=C(OC)C(O[C@]4(C)CC1)=O)C(O/2)=O
inchi:
InChI=1S/C25H34O7/c1-12(2)16-15-9-8-13(3)20-17-18(25(6,28)31-20)22(26)30-19(17)14(4)10-11-24(15,5)32-23(27)21(16)29-7/h8,12,15,17-18,20,28H,9-11H2,1-7H3/b13-8-,19-14+/t15-,17+,18-,20-,24+,25-/m0/s1


cas: 2276-52-0
formula: C19H27NO.ClH
inchikey: OQGYMIIFOSJQSF-UHFFFAOYSA-N
norman_susdat_id: NS00083548
smiles: Cl.CC1C2Cc3ccc(O)cc3C1(C)CCN2CC=C(C)C
name:
1,2,3,4,5,6-hexahydro-6,11-dimethyl-3-(3-methylbut-2-enyl)-2,6-methano-3-benzazocin-8-ol hydrochloride

inchi:
InChI=1/C19H27NO.ClH/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19;/h5-7,12,14,18,21H,8-11H2,1-4H3;1H


name: Iothalamic acid
cas: 2276-90-6
chebiid: CHEBI:31713
chemspiderid: 3606
dtxsid: DTXSID5023164
formula: C11H9I3N2O4
inchikey: UXIGWFXRQKWHHA-UHFFFAOYSA-N
norman_susdat_id: NS00004121
pubchem_cid: 3737
smiles: CNC(=O)c1c(I)c(NC(C)=O)c(I)c(C(O)=O)c1I
inchi:
InChI=1S/C11H9I3N2O4/c1-3(17)16-9-7(13)4(10(18)15-2)6(12)5(8(9)14)11(19)20/h1-2H3,(H,15,18)(H,16,17)(H,19,20)


name: Octadecanoic acid, 2-octyldodecyl ester
cas: 22766-82-1
chemspiderid: 82017
dtxsid: DTXSID70865067
formula: C38H76O2
inchikey: HXVCOQUDJKMJQY-UHFFFAOYSA-N
norman_susdat_id: NS00013914
pubchem_cid: 90834
smiles: CCCCCCCCCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC
inchi:
InChI=1S/C38H76O2/c1-4-7-10-13-16-18-19-20-21-22-23-24-26-29-32-35-38(39)40-36-37(33-30-27-15-12-9-6-3)34-31-28-25-17-14-11-8-5-2/h37H,4-36H2,1-3H3


name: 2-octyldodecyl myristate
cas: 22766-83-2
chemspiderid: 82018
formula: C34H68O2
inchikey: BGRXBNZMPMGLQI-UHFFFAOYSA-N
norman_susdat_id: NS00008604
pubchem_cid: 90835
smiles: CCCCCCCCCCCCCC(=O)OCC(CCCCCCCC)CCCCCCCCCC
inchi:
InChI=1S/C34H68O2/c1-4-7-10-13-16-18-19-20-22-25-28-31-34(35)36-32-33(29-26-23-15-12-9-6-3)30-27-24-21-17-14-11-8-5-2/h33H,4-32H2,1-3H3


name: 2-octyldodecyl palmitate
cas: 22766-84-3
dtxsid: DTXSID20945444
formula: C36H72O2
inchikey: RUDXBXPTJPNTSO-UHFFFAOYSA-N
norman_susdat_id: NS00053363
pubchem_cid: 90836
smiles: O=C(OCC(CCCCCCCC)CCCCCCCCCC)CCCCCCCCCCCCCCC
inchi:
InChI=1/C36H72O2/c1-4-7-10-13-16-18-19-20-21-22-24-27-30-33-36(37)38-34-35(31-28-25-15-12-9-6-3)32-29-26-23-17-14-11-8-5-2/h35H,4-34H2,1-3H3


name: 2-octyldodecyl decanoate
cas: 22766-85-4
dtxsid: DTXSID80945445
formula: C30H60O2
inchikey: FABRFZGGMAHNCJ-UHFFFAOYSA-N
norman_susdat_id: NS00052054
pubchem_cid: 90837
smiles: O=C(OCC(CCCCCCCC)CCCCCCCCCC)CCCCCCCCC
inchi:
InChI=1/C30H60O2/c1-4-7-10-13-16-18-20-23-26-29(25-22-19-15-12-9-6-3)28-32-30(31)27-24-21-17-14-11-8-5-2/h29H,4-28H2,1-3H3


name: [S-(R*,R*)]-2-amino-6-(1,2,3-trihydroxypropyl)-1H-pteridin-4-one
cas: 2277-42-1
formula: C9H11N5O4
inchikey: BMQYVXCPAOLZOK-UHFFFAOYSA-N
norman_susdat_id: NS00083520
smiles: NC1=NC(=O)c2nc(cnc2N1)C(O)C(O)CO
inchi:
InChI=1/C9H11N5O4/c10-9-13-7-5(8(18)14-9)12-3(1-11-7)6(17)4(16)2-15/h1,4,6,15-17H,2H2,(H3,10,11,13,14,18)


name: Oxyclozanide
cas: 2277-92-1
chemspiderid: 15904
dtxsid: DTXSID50177312
formula: C13H6Cl5N1O3
inchikey: JYWIYHUXVMAGLG-UHFFFAOYSA-N
norman_susdat_id: NS00017230
pubchem_cid: 16779
smiles: C1=C(C=C(C(=C1Cl)O)NC(=O)C2=C(C(=CC(=C2Cl)Cl)Cl)O)Cl
inchi:
InChI=1S/C13H6Cl5NO3/c14-4-1-6(16)11(20)8(2-4)19-13(22)9-10(18)5(15)3-7(17)12(9)21/h1-3,20-21H,(H,19,22)


cas: 2278-50-4
dtxsid: DTXSID9062302
formula: C45H19N3O4
inchikey: VUSWQWZUVYOZAY-UHFFFAOYSA-N
norman_susdat_id: NS00049875
pubchem_cid: 75287
name:
1H-benz[6,7]indazole[2,3,4-fgh]naphth[2'',3'':6',7']indolo[3',2':5,6]anthra[2,1,9-mna]acridine-2,7,10,15-tetrone

inchi:
InChI=1/C45H19N3O4/c49-42-24-6-2-1-5-22(24)40-37-29(42)13-10-23-21-9-12-28-33-19(16-18-32(35(21)33)48(47-40)41(23)37)20-15-17-31-34(36(20)45(28)52)27-11-14-30-38(39(27)46-31)44(51)26-8-4-3-7-25(26)43(30)50/h1-18,46H

smiles:
O=C1C=2C=CC=CC2C(=O)C3=C1C=CC4=C3NC5=CC=C6C7=CC=C8C=9C(=CC=C(C(=O)C6=C54)C79)C%10=CC=C%11C(=O)C=%12C=CC=CC%12C%13=NN8C%10=C%13%11


cas: 227803-63-6
formula: C42H64N12O11
inchikey: RUBMHAHMIJSMHA-LBWFYSSPSA-N
norman_susdat_id: NS00073582
pubchem_cid: 9811551
name:
1-{2-[2-(2-{2-[2-(2-amino-3-carboxypropanamido)-5-[(diaminomethylidene)amino]pentanamido]hexanamido}-3-(4-hydroxyphenyl)propanamido)-3-methylpentanamido]-3-(1h-imidazol-5-yl)propanoyl}pyrrolidine-2-carboxylic acid

inchi:
InChI=1S/C42H64N12O11/c1-4-6-9-28(50-36(59)29(10-7-16-47-42(44)45)49-35(58)27(43)20-33(56)57)37(60)51-30(18-24-12-14-26(55)15-13-24)38(61)53-34(23(3)5-2)39(62)52-31(19-25-21-46-22-48-25)40(63)54-17-8-11-32(54)41(64)65/h12-15,21-23,27-32,34,55H,4-11,16-20,43H2,1-3H3,(H,46,48)(H,49,58)(H,50,59)(H,51,60)(H,52,62)(H,53,61)(H,56,57)(H,64,65)(H4,44,45,47)/t23-,27-,28-,29-,30-,31-,32-,34-/m0/s1

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


name: PROPYLENE GLYCOL DILAURATE
cas: 22788-19-8
chemspiderid: 82021
formula: C27H52O4
inchikey: WITKSCOBOCOGSC-UHFFFAOYSA-N
norman_susdat_id: NS00014015
pubchem_cid: 90838
smiles: CCCCCCCCCCCC(=O)OCC(C)OC(=O)CCCCCCCCCCC
inchi:
InChI=1S/C27H52O4/c1-4-6-8-10-12-14-16-18-20-22-26(28)30-24-25(3)31-27(29)23-21-19-17-15-13-11-9-7-5-2/h25H,4-24H2,1-3H3


name: (phenylmercurio)urea
cas: 2279-64-3
formula: C7H8HgN2O
inchikey: UNQDVBLGFWIFGX-UHFFFAOYSA-M
norman_susdat_id: NS00083187
smiles: NC(=O)N[Hg]c1ccccc1
inchi:
InChI=1/C6H5.CH4N2O.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;(H4,2,3,4);/q;;+1/p-1/rC7H8HgN2O/c9-7(11)10-8-6-4-2-1-3-5-6/h1-5H,(H3,9,10,11)


name: Tripropyltin chloride
cas: 2279-76-7
formula: C9H21ClSn
inchikey: FVFLIQMADUVDSP-UHFFFAOYSA-M
norman_susdat_id: NS00083869
smiles: [Cl-].CCC[Sn+](CCC)CCC
inchi:
InChI=1/3C3H7.ClH.Sn/c3*1-3-2;;/h3*1,3H2,2H3;1H;/q;;;;+1/p-1/rC9H21Sn.ClH/c1-4-7-10(8-5-2)9-6-3;/h4-9H2,1-3H3;1H/q+1;/p-1


name: LAURYL PCA
cas: 22794-26-9
chemspiderid: 82024
formula: C17H31N1O3
inchikey: HJXPPCPJEYUQFQ-UHFFFAOYSA-N
norman_susdat_id: NS00013835
pubchem_cid: 90841
smiles: CCCCCCCCCCCCOC(=O)C1CCC(=O)N1
inchi:
InChI=1S/C17H31NO3/c1-2-3-4-5-6-7-8-9-10-11-14-21-17(20)15-12-13-16(19)18-15/h15H,2-14H2,1H3,(H,18,19)


name: BADGE-HCl-H2O
cas: 227947-06-0
chebiid: CHEBI:59642
chemspiderid: 3378517
dtxsid: DTXSID30400170
formula: C21H27Cl1O5
inchikey: HDTYUHNZRYZEEB-UHFFFAOYSA-N
norman_susdat_id: NS00001932
pubchem_cid: 4166922
smiles: CC(C)(c1ccc(OCC(O)CO)cc1)c1ccc(OCC(O)CCl)cc1
inchi:
InChI=1S/C21H27ClO5/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,23-25H,11-14H2,1-2H3


name: Kanamycin C
cas: 2280-32-2
chebiid: CHEBI:28185
chemspiderid: 388665
dtxsid: DTXSID3023186
formula: C18H36N4O11
inchikey: WZDRWYJKESFZMB-FQSMHNGLSA-N
norman_susdat_id: NS00011543
pubchem_cid: 439582
inchi:
InChI=1S/C18H36N4O11/c19-4-1-5(20)16(33-18-13(28)8(21)10(25)6(2-23)31-18)14(29)15(4)32-17-9(22)12(27)11(26)7(3-24)30-17/h4-18,23-29H,1-3,19-22H2/t4-,5+,6+,7+,8-,9+,10+,11+,12+,13+,14-,15+,16-,17+,18+/m0/s1

smiles:
C1[C@@H]([C@H]([C@@H]([C@H]([C@@H]1N)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)N)O)O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)N)N


name: (S)-2-tridecyl-2,5-dihydro-4-methyl-5-oxo-3-furoic acid
cas: 22800-25-5
chebiid: CHEBI:144171
dtxsid: DTXSID60945483
formula: C19H32O4
inchikey: SLQVVNFTCYVCPB-INIZCTEOSA-N
norman_susdat_id: NS00053383
pubchem_cid: 9927283
smiles: O=C(O)C1=C(C(=O)OC1CCCCCCCCCCCCC)C
inchi:
InChI=1/C19H32O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-17(18(20)21)15(2)19(22)23-16/h16H,3-14H2,1-2H3,(H,20,21)


name: OCTYLDODECYL OLEATE
cas: 22801-45-2
chemspiderid: 4941188
formula: C38H74O2
inchikey: GECRRQVLQHRVNH-MRCUWXFGSA-N
norman_susdat_id: NS00013913
pubchem_cid: 6436561
smiles: CCCCCCCCCCC(CCCCCCCC)COC(=O)CCCCCCCC=C/CCCCCCCC
inchi:
InChI=1S/C38H74O2/c1-4-7-10-13-16-18-19-20-21-22-23-24-26-29-32-35-38(39)40-36-37(33-30-27-15-12-9-6-3)34-31-28-25-17-14-11-8-5-2/h20-21,37H,4-19,22-36H2,1-3H3/b21-20-


name: [(8-butyl-2,4,6,8-tetramethylcyclotetrasiloxane-2,4,6-triyl)tri(oxy)]tris(diethylamine)
cas: 22803-29-8
dtxsid: DTXSID00885213
formula: C20H51N3O7Si4
inchikey: JTFGXWXAESOYDL-UHFFFAOYSA-N
norman_susdat_id: NS00052456
pubchem_cid: 89844
smiles: O(N(CC)CC)[Si]1(O[Si](ON(CC)CC)(O[Si](O[Si](ON(CC)CC)(O1)C)(C)CCCC)C)C
inchi:
InChI=1/C20H51N3O7Si4/c1-12-19-20-31(8)27-32(9,24-21(13-2)14-3)29-34(11,26-23(17-6)18-7)30-33(10,28-31)25-22(15-4)16-5/h12-20H2,1-11H3


name: Hexadecyldimethyl(3-sulphonatopropyl)ammonium
cas: 2281-11-0
dtxsid: DTXSID70177359
formula: C21H46NO3S
inchikey: TUBRCQBRKJXJEA-UHFFFAOYSA-N
norman_susdat_id: NS00049237
pubchem_cid: 92176
smiles: O=S(=O)([O-])CCC[N+](C)(C)CCCCCCCCCCCCCCCC
inchi:
InChI=1/C21H45NO3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22(2,3)20-18-21-26(23,24)25/h4-21H2,1-3H3


cas: 22811-55-8
dtxsid: DTXSID40177366
formula: C15H44N5O21P7
inchikey: YIAZZEXSBOBNAA-UHFFFAOYSA-N
norman_susdat_id: NS00052098
pubchem_cid: 13931961
smiles: O=P(O)(O)CN(CCN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)CCN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O
name:
[[(phosphonomethyl)imino]bis[ethylene[(phosphonomethyl)imino]ethylenenitrilobis(methylene)]]tetrakisphosphonic acid

inchi:
InChI=1/C15H44N5O21P7/c21-42(22,23)9-16(1-3-17(10-43(24,25)26)5-7-19(12-45(30,31)32)13-46(33,34)35)2-4-18(11-44(27,28)29)6-8-20(14-47(36,37)38)15-48(39,40)41/h1-15H2,(H2,21,22,23)(H2,24,25,26)(H2,27,28,29)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)(H2,39,40,41)


name: Sodium 4-formyl-5-hydroxy-6-methyl-3-pyridylmethyl hydrogen phosphate
cas: 22816-56-4
formula: C8H10NO6P.Na
inchikey: LWRNKHPBGKDNFK-UHFFFAOYSA-M
norman_susdat_id: NS00085363
smiles: [Na+].Oc1c(C=O)c(cnc1C)COP([O-])(=O)O
inchi:
InChI=1/C8H10NO6P.Na/c1-5-8(11)7(3-10)6(2-9-5)4-15-16(12,13)14;/h2-3,11H,4H2,1H3,(H2,12,13,14);/q;+1/p-1


name: 8-hydroxy-5-methylquinolinium decyl sulphate
cas: 22816-64-4
formula: C12H26O4S.C10H9NO
inchikey: KEDREHVCYINJAM-UHFFFAOYSA-N
norman_susdat_id: NS00085364
smiles: CCCCCCCCCCOS(=O)(=O)[O-].Cc1ccc(O)c2[nH+]cccc12
inchi:
InChI=1/C10H9NO.C10H22O4S/c1-7-4-5-9(12)10-8(7)3-2-6-11-10;1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-6,12H,1H3;2-10H2,1H3,(H,11,12,13)


name: N-[(tert-butoxy)carbonyl]-L-methionine, compound with dicyclohexylamine (1:1)
cas: 22823-50-3
formula: C12H23N.C10H19NO4S
inchikey: SKDIPRMGDVUUQO-ZLTKDMPESA-N
norman_susdat_id: NS00086460
smiles: CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)O.C1CCC(CC1)NC2CCCCC2
inchi:
InChI=1/C12H23N.C10H19NO4S/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-10(2,3)15-9(14)11-7(8(12)13)5-6-16-4/h11-13H,1-10H2;7H,5-6H2,1-4H3,(H,11,14)(H,12,13)


name: Cycloheptyltriphenylphosphonium bromide
cas: 22836-06-2
dtxsid: DTXSID10945534
formula: C25H28P
inchikey: IVUDTIKMCGGLAG-UHFFFAOYSA-M
norman_susdat_id: NS00048778
pubchem_cid: 3084379
smiles: [Br-].C=1C=CC(=CC1)[P+](C=2C=CC=CC2)(C=3C=CC=CC3)C4CCCCCC4
inchi:
InChI=1/C25H28P.BrH/c1-2-7-15-22(14-6-1)26(23-16-8-3-9-17-23,24-18-10-4-11-19-24)25-20-12-5-13-21-25;/h3-5,8-13,16-22H,1-2,6-7,14-15H2;1H/q+1;/p-1


name: Aspartame
cas: 22839-47-0
chemspiderid: 2155
dtxsid: DTXSID0020107
formula: C14H18N2O5
inchikey: IAOZJIPTCAWIRG-GHMZBOCLSA-N
norman_susdat_id: NS00000385
pubchem_cid: 6992061
smiles: COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC(=O)O)N
inchi:
InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-13(19)10(15)8-12(17)18/h2-6,10-11H,7-8,15H2,1H3,(H,16,19)(H,17,18)


name: Aspartame, beta-
cas: 22839-61-8
chemspiderid: 81115
dtxsid: DTXSID40177386
formula: C14H18N2O5
inchikey: SHHIPKDJQYIJJF-QWRGUYRKSA-N
norman_susdat_id: NS00027272
pubchem_cid: NA
smiles: COC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](N)C(=O)O
inchi:
InChI=1S/C14H18N2O5/c1-21-14(20)11(7-9-5-3-2-4-6-9)16-12(17)8-10(15)13(18)19/h2-6,10-11H,7-8,15H2,1H3,(H,16,17)(H,18,19)/t10-,11-/m0/s1


name: Methyl 3a,7a-diacetoxy-5ß-chol-11-en-24-oate
cas: 2284-36-8
dtxsid: DTXSID50945538
formula: C29H44O6
inchikey: CZAQECWMDFKTQA-JSWGAMEVSA-N
norman_susdat_id: NS00048560
pubchem_cid: 12803575
smiles: O=C(OC1CCC2(C)C3C=CC4(C)C(CCC4C3C(OC(=O)C)CC2C1)C(C)CCC(=O)OC)C
inchi:
InChI=1/C29H44O6/c1-17(7-10-26(32)33-6)22-8-9-23-27-24(12-14-29(22,23)5)28(4)13-11-21(34-18(2)30)15-20(28)16-25(27)35-19(3)31/h12,14,17,20-25,27H,7-11,13,15-16H2,1-6H3


name: N-Dodecyl-2,2,3,3,4,4,4-heptafluorobutanamide
cas: 2284-51-7
dtxsid: DTXSID00895973
formula: C16H26F7NO
inchikey: UTGSQSVMPFAJMN-UHFFFAOYSA-N
norman_susdat_id: NS00109011
smiles: CCCCCCCCCCCCNC(=O)C(F)(F)C(F)(F)C(F)(F)F
inchi:
InChI=1S/C16H26F7NO/c1-2-3-4-5-6-7-8-9-10-11-12-24-13(25)14(17,18)15(19,20)16(21,22)23/h2-12H2,1H3,(H,24,25)


name: CR665
cas: 228546-92-7
dtxsid: DTXSID30177395
formula: C36H49N9O4
inchikey: DBOGGOVKHSCMNB-OMRVPHBLSA-N
norman_susdat_id: NS00072890
smiles: CCCC[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(=N)N)C(=O)NCc1ccncc1
inchi:
InChI=1S/C36H49N9O4/c1-2-3-15-30(34(48)43-29(16-10-19-41-36(38)39)33(47)42-24-27-17-20-40-21-18-27)44-35(49)31(23-26-13-8-5-9-14-26)45-32(46)28(37)22-25-11-6-4-7-12-25/h4-9,11-14,17-18,20-21,28-31H,2-3,10,15-16,19,22-24,37H2,1H3,(H,42,47)(H,43,48)(H,44,49)(H,45,46)(H4,38,39,41)/t28-,29-,30-,31-/m1/s1


