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UGC

UGC
Name:	(2S)-(carbamoylamino)(hydroxy)ethanoic acid
Formula:	C3 H6 N2 O4
SMILES:	O=C(O)C(O)NC(=O)N
InChi:	InChI=1S/C3H6N2O4/c4-3(9)5-1(6)2(7)8/h1,6H,(H,7,8)(H3,4,5,9)/t1-/m0/s1
Synonyms:	(S)-Ureidoglycolate
Definition date:	2014-04-09
Last modified:	2021-03-01
Release date:	2014-07-23
Identifier:	(2S)-(carbamoylamino)(hydroxy)ethanoic acid

TNC

TNC
Name:	4-DIMETHYLAMINO-1,10,11,12-TETRAHYDROXY-3-OXO-3,4,4A,5-TETRAHYDRO-NAPHTHACENE-2-CARBOXYLIC ACID AMIDE
Formula:	C21 H20 N2 O6
SMILES:	O=C(N)C4=C(O)C3=C(O)c2c(O)c1c(O)cccc1cc2CC3C(N(C)C)C4=O
InChi:	InChI=1S/C21H20N2O6/c1-23(2)16-10-7-9-6-8-4-3-5-11(24)12(8)17(25)13(9)18(26)14(10)19(27)15(20(16)28)21(22)29/h3-6,10,16,24-27H,7H2,1-2H3,(H2,22,29)/t10-,16+/m1/s1
Synonyms:	DEHYDRATED SANCYCLINE
Definition date:	2003-01-03
Last modified:	2021-03-01
Identifier:	(4S,4aR)-4-(dimethylamino)-1,10,11,12-tetrahydroxy-3-oxo-3,4,4a,5-tetrahydrotetracene-2-carboxamide

B1K

B1K
Name:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol
Formula:	C15 H19 N3 O6
SMILES:	COc1ccc(cc1)c2[nH]nc(n2)[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O
InChi:	InChI=1S/C15H19N3O6/c1-23-8-4-2-7(3-5-8)14-16-15(18-17-14)13-12(22)11(21)10(20)9(6-19)24-13/h2-5,9-13,19-22H,6H2,1H3,(H,16,17,18)/t9-,10-,11+,12-,13-/m1/s1
Synonyms:	JLH270
Definition date:	2017-09-05
Last modified:	2021-03-01
Release date:	2018-02-28
Identifier:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-[5-(4-methoxyphenyl)-1~{H}-1,2,4-triazol-3-yl]oxane-3,4,5-triol

PLV

PLV
Name:	N-({3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4-YL}METHYL)-O-METHYL-L-SERINE
Formula:	C12 H19 N2 O8 P
SMILES:	O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)COC
InChi:	InChI=1S/C12H19N2O8P/c1-7-11(15)9(4-14-10(6-21-2)12(16)17)8(3-13-7)5-22-23(18,19)20/h3,10,14-15H,4-6H2,1-2H3,(H,16,17)(H2,18,19,20)/t10-/m0/s1
Synonyms:	PYRIDOXYL-(O-METHYL-SERINE)-5-MONOPHOSPHATE
Definition date:	2003-07-15
Last modified:	2021-03-01
Identifier:	N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-O-methyl-L-serine

4OA

4OA
Name:	(3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid
Formula:	C24 H40 O3
SMILES:	O=C(O)CCC(C4C3(C(C2C(C1(CCC(O)CC1CC2)C)CC3)CC4)C)C
InChi:	InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,18+,19-,20+,21+,23+,24-/m1/s1
Synonyms:	Lithocholic acid
Definition date:	2008-12-01
Last modified:	2021-03-01
Identifier:	(3beta,5beta,14beta,17alpha)-3-hydroxycholan-24-oic acid

UTX

UTX
Name:	2-cyano-3-((6-(((2-((2-cyanoethyl)(borocaptate-10B)sulfonio)acetyl)carbamoyl)oxy)hexyl)amino)quinoxaline 1,4-dioxide
Formula:	C21 H29 B12 N6 O5 S
SMILES:	ON1[CH](NCCCCCCOC(=O)NC(=O)C[SH](CCC#N)[B]2345[B]678[B]9%10%11[B]%12%13%14[B]69%15[B]%12%16%17[B]%13%18%19[B]%10%14%20[B]27%11[B]3%18%20[B]4%16%19[B]58%15%17)[CH](C#N)N(O)c%21ccccc1%21
InChi:	InChI=1S/C21H29B12N6O5S/c34-10-7-13-45(15-19(40)37-21(41)44-12-6-2-1-5-11-36-20-18(14-35)38(42)16-8-3-4-9-17(16)39(20)43)33-28-23-22-24(23,28)26(22)27(22)25(22,23)29(23,28,33)31(25,27,33)32(26,27,33)30(24,26,28)33/h3-4,8-9,18,20,36,42-43,45H,1-2,5-7,11-13,15H2,(H,37,40,41)/t18-,20+/m1/s1
Synonyms:	UTX-97
Definition date:	2016-12-08
Last modified:	2021-03-01
Release date:	2017-06-28

B1R

B1R
Name:	[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium
Formula:	C20 H16 N2 O2 Ru S
SMILES:	O=C1NC2C(SCC2N1)CCCCC(=O)C3%10C%12=C%11C6=C3[Ru]4564789%10C5=C4C9C8=C57
InChi:	InChI=1S/C15H15N2O2S.C5H.Ru/c18-12(10-5-1-2-6-10)7-3-4-8-13-14-11(9-20-13)16-15(19)17-14
Synonyms:	biotinylruthenocene
Definition date:	2012-12-06
Last modified:	2021-03-01
Release date:	2013-08-14
Identifier:	[(1,2,3,4,5-eta)-cyclopentadienyl][(1,2,3,4,5-eta)-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}cyclopentadienyl]ruthenium

ZYC

ZYC
Name:	ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Formula:	C12 H14 O4
SMILES:	O=C(OCC)C=Cc1cc(OC)c(O)cc1
InChi:	InChI=1S/C12H14O4/c1-3-16-12(14)7-5-9-4-6-10(13)11(8-9)15-2/h4-8,13H,3H2,1-2H3/b7-5+
Synonyms:	ethyl ferulate
Definition date:	2010-10-29
Last modified:	2021-03-01
Identifier:	ethyl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

TNL

TNL
Name:	2,4,6-TRINITROTOLUENE
Formula:	C7 H5 N3 O6
SMILES:	O=[N+]([O-])c1cc(cc([N+]([O-])=O)c1C)[N+]([O-])=O
InChi:	InChI=1S/C7H5N3O6/c1-4-6(9(13)14)2-5(8(11)12)3-7(4)10(15)16/h2-3H,1H3
Synonyms:	TNT
Definition date:	2002-02-27
Last modified:	2021-03-01
Identifier:	2-methyl-1,3,5-trinitrobenzene

XCA

XCA
Name:	(8alpha,10alpha,25S)-3-hydroxycholesta-3,5-dien-26-oic acid
Formula:	C27 H42 O3
SMILES:	O=C(O)C(C)CCCC(C)C4CCC3C1C(C2(C(=CC1)C=C(O)CC2)C)CCC34C
InChi:	InChI=1S/C27H42O3/c1-17(6-5-7-18(2)25(29)30)22-10-11-23-21-9-8-19-16-20(28)12-14-26(19,3)24(21)13-15-27(22,23)4/h8,16-18,21-24,28H,5-7,9-15H2,1-4H3,(H,29,30)/t17-,18+,21+,22-,23+,24+,26+,27-/m1/s1
Synonyms:	(25S)-cholestenoic acid
Definition date:	2011-11-18
Last modified:	2021-03-01
Identifier:	(8alpha,10alpha,25S)-3-hydroxycholesta-3,5-dien-26-oic acid

RMA

RMA
Name:	N-[(1S)-2,3-DIHYDRO-1H-INDEN-1-YL]-N-METHYL-N-PROP-2-YNYLAMINE
Formula:	C13 H15 N
SMILES:	C#CCN(C)C2c1ccccc1CC2
InChi:	InChI=1S/C13H15N/c1-3-10-14(2)13-9-8-11-6-4-5-7-12(11)13/h1,4-7,13H,8-10H2,2H3/t13-/m1/s1
Synonyms:	N-METHYL-N-PROPARGYL-1(R)-AMINOINDAN
Definition date:	2004-01-15
Last modified:	2021-03-01
Identifier:	(1R)-N-methyl-N-prop-2-yn-1-yl-2,3-dihydro-1H-inden-1-amine

SU1

SU1
Name:	3-[(3-(2-CARBOXYETHYL)-4-METHYLPYRROL-2-YL)METHYLENE]-2-INDOLINONE
Formula:	C17 H16 N2 O3
SMILES:	O=C(O)CCc1c(cnc1/C=C3/c2ccccc2NC3=O)C
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-
Synonyms:	SU5402
Definition date:	1999-07-08
Last modified:	2021-03-01
Identifier:	3-{4-methyl-2-[(Z)-(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]-1H-pyrrol-3-yl}propanoic acid

TNN

TNN
Name:	(1aS,11S,11aR,14Z,18R)-3,8,18-trihydroxy-11a-[(1R)-1-hydroxyethyl]-7-methoxy-11,11a-dihydro-4H-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinoline-4,9(10H)-dione
Formula:	C27 H19 N O8
SMILES:	CC(O)C15OC16c4cc(O)c3C(=O)c2ccc(OC)c(O)c2C(=O)c3c4NC5C#CC=CC#CC6O
InChi:	InChI=1S/C27H19NO8/c1-12(29)26-17-7-5-3-4-6-8-18(31)27(26,36-26)14-11-15(30)20-21(22(14)28-17)25(34)19-13(23(20)32)9-10-16(35-2)24(19)33/h3-4,9-12,17-18,28-31,33H,1-2H3/b4-3-/t12-,17+,18-,26+,27+/m1/s1
Synonyms:	tiancimycin
Definition date:	2017-02-09
Last modified:	2021-03-01
Release date:	2018-07-04
Identifier:	(1aS,11S,11aR,14Z,18R)-3,8,18-trihydroxy-11a-[(1R)-1-hydroxyethyl]-7-methoxy-11,11a-dihydro-4H-11,1a-hept[3]ene[1,5]diynonaphtho[2,3-h]oxireno[c]quinoline-4,9(10H)-dione

PM7

PM7
Name:	(5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one
Formula:	C21 H25 N3 O
SMILES:	N2C(=O)C61CCCN1CC23C(C(c5c(C3)c4c(cccc4)n5)(C)C)C6
InChi:	InChI=1S/C21H25N3O/c1-19(2)16-11-21-8-5-9-24(21)12-20(16,23-18(21)25)10-14-13-6-3-4-7-15(13)22-17(14)19/h3-4,6-7,16,22H,5,8-12H2,1-2H3,(H,23,25)/t16-,20+,21-/m0/s1
Synonyms:	premalbrancheamide E
Definition date:	2017-07-17
Last modified:	2021-03-01
Release date:	2017-08-16
Identifier:	(5aS,12aS,13aS)-12,12-dimethyl-2,3,11,12,12a,13-hexahydro-1H,5H,6H-5a,13a-(epiminomethano)indolizino[7,6-b]carbazol-14-one

SFM

SFM
Name:	(13E,15E)-(3S,6S,9R,10R,11S,12S,18S,21S)-10,12-DIHYDROXY-3-(3-HYDROXYBEN-ZYL)-18-((E)-3-HYDROXY-1-METHYLPROPENYL)-6-ISOPROPYL-11-METHYL-9-(3-OXO-BUTYL)-19-OXA-1,4,7,25-TETRAAZA-BICYCLO[19.3.1]PENTACOSA-13,15-DIENE-2,5,8,20-TETRAONE
Formula:	C39 H56 N4 O10
SMILES:	O=C1OC(C(=C/CO)/C)CC=CC=CC(O)C(C)C(O)C(C(=O)NC(C(=O)NC(C(=O)N2NC1CCC2)Cc3cccc(O)c3)C(C)C)CCC(=O)C
InChi:	InChI=1S/C39H56N4O10/c1-23(2)34-37(50)40-31(22-27-11-9-12-28(46)21-27)38(51)43-19-10-13-30(42-43)39(52)53-33(24(3)18-20-44)15-8-6-7-14-32(47)26(5)35(48)29(36(49)41-34)17-16-25(4)45/h6-9,11-12,14,18,21,23,26,29-35,42,44,46-48H,10,13,15-17,19-20,22H2,1-5H3,(H,40,50)(H,41,49)/b8-6+,14-7+,24-18+/t26-,29+,30-,31-,32-,33-,34-,35+/m0/s1
Synonyms:	ANALOGUE OF MACROLIDE FROM DEGRADED SANGLIFEHRIN A
Definition date:	2003-03-14
Last modified:	2021-03-01
Identifier:	(3S,6S,9R,10R,11S,12S,13E,15E,18S,21S)-10,12-dihydroxy-3-(3-hydroxybenzyl)-18-[(2E)-4-hydroxybut-2-en-2-yl]-11-methyl-9-(3-oxobutyl)-6-(propan-2-yl)-19-oxa-1,4,7,25-tetraazabicyclo[19.3.1]pentacosa-13,15-diene-2,5,8,20-tetrone

SU9

SU9
Name:	(3Z)-3-(1H-IMIDAZOL-5-YLMETHYLENE)-5-METHOXY-1H-INDOL-2(3H)-ONE
Formula:	C13 H11 N3 O2
SMILES:	O=C/1Nc3ccc(OC)cc3C1=C/c2cncn2
InChi:	InChI=1S/C13H11N3O2/c1-18-9-2-3-12-10(5-9)11(13(17)16-12)4-8-6-14-7-15-8/h2-7H,1H3,(H,14,15)(H,16,17)/b11-4-
Synonyms:	SU9516
Definition date:	2003-05-27
Last modified:	2021-03-01
Identifier:	(3Z)-3-(1H-imidazol-5-ylmethylidene)-5-methoxy-1,3-dihydro-2H-indol-2-one

TNV

TNV
Name:	[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYL-TRIPHOSPHATE
Formula:	C9 H16 N5 O10 P3
SMILES:	C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O
InChi:	InChI=1S/C9H16N5O10P3/c1-6(2-14-4-13-7-8(10)11-3-12-9(7)14)22-5-25(15,16)23-27(20,21)24-26(17,18)19/h3-4,6H,2,5H2,1H3,(H,15,16)(H,20,21)(H2,10,11,12)(H2,17,18,19)/t6-/m1/s1
Synonyms:	TENOFOVIR-DIPHOSPHATE
Definition date:	2004-04-21
Last modified:	2021-03-01
Identifier:	[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(hydroxy-phosphonooxy-phosphoryl)oxy-phosphinic acid

SUA

SUA
Name:	(4-SULFAMOYL-PHENYL)-THIOCARBAMIC ACID O-(2-THIOPHEN-3-YL-ETHYL) ESTER
Formula:	C13 H14 N2 O3 S3
SMILES:	O=S(=O)(N)c1ccc(cc1)NC(=S)OCCc2ccsc2
InChi:	InChI=1S/C13H14N2O3S3/c14-21(16,17)12-3-1-11(2-4-12)15-13(19)18-7-5-10-6-8-20-9-10/h1-4,6,8-9H,5,7H2,(H,15,19)(H2,14,16,17)
Synonyms:	Carbonic Anhydrase II inhibitor 16923
Definition date:	2002-06-06
Last modified:	2021-03-01
Identifier:	O-[2-(thiophen-3-yl)ethyl] (4-sulfamoylphenyl)carbamothioate

P7M

P7M
Name:	N-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide
Formula:	C11 H6 Br Cl2 N O3 S2
SMILES:	c1c(Cl)ccc(c1Cl)C(=O)NS(c2sc(cc2)Br)(=O)=O
InChi:	InChI=1S/C11H6BrCl2NO3S2/c12-9-3-4-10(19-9)20(17,18)15-11(16)7-2-1-6(13)5-8(7)14/h1-5H,(H,15,16)
Synonyms:	Tasisulam
Definition date:	2019-08-05
Last modified:	2021-03-01
Release date:	2019-11-13
Identifier:	N-[(5-bromothiophen-2-yl)sulfonyl]-2,4-dichlorobenzamide

SFT

SFT
Name:	SULFOGALACTOCERAMIDE
Formula:	C48 H93 N O12 S
SMILES:	O=S(=O)(O)OC1C(O)C(OC(OCC(NC(=O)C(O)CCCCCCCCCCCCCCCCCCCCCC)C(O)/C=C/CCCCCCCCCCCCC)C1O)CO
InChi:	InChI=1S/C48H93NO12S/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-25-27-29-31-33-35-37-42(52)47(55)49-40(41(51)36-34-32-30-28-26-24-16-14-12-10-8-6-4-2)39-59-48-45(54)46(61-62(56,57)58)44(53)43(38-50)60-48/h34,36,40-46,48,50-54H,3-33,35,37-39H2,1-2H3,(H,49,55)(H,56,57,58)/b36-34+/t40-,41+,42+,43+,44-,45+,46-,48+/m0/s1
Synonyms:	SULFATIDE
Definition date:	2005-01-12
Last modified:	2021-03-01
Identifier:	(2R)-2-hydroxy-N-[(1S,2R,3E)-2-hydroxy-1-{[(3-O-sulfo-beta-D-galactopyranosyl)oxy]methyl}heptadec-3-en-1-yl]tetracosanamide

T98

T98
Name:	5-(4,4-DIMETHYL-2-THIOXO-1,4-DIHYDRO-2H-3,1-BENZOXAZIN-6-YL)-1-METHYL-1H-PYRROLE-2-CARBONITRILE
Formula:	C16 H15 N3 O S
SMILES:	N#Cc3ccc(c1ccc2NC(=S)OC(c2c1)(C)C)n3C
InChi:	InChI=1S/C16H15N3OS/c1-16(2)12-8-10(4-6-13(12)18-15(21)20-16)14-7-5-11(9-17)19(14)3/h4-8H,1-3H3,(H,18,21)
Synonyms:	TANAPROGET
Definition date:	2005-06-17
Last modified:	2021-03-01
Identifier:	5-(4,4-dimethyl-2-thioxo-1,4-dihydro-2H-3,1-benzoxazin-6-yl)-1-methyl-1H-pyrrole-2-carbonitrile

ZYX

ZYX
Name:	4-(2-AMINOETHYL)BENZENESULFONAMIDE
Formula:	C8 H12 N2 O2 S
SMILES:	O=S(=O)(c1ccc(cc1)CCN)N
InChi:	InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
Synonyms:	P-AMINOETHYL BENZENESULFONAMIDE
Definition date:	2006-10-30
Last modified:	2021-03-01
Identifier:	4-(2-aminoethyl)benzenesulfonamide

SFY

SFY
Name:	4-amino-N-(pyridin-2-yl)benzenesulfonamide
Formula:	C11 H11 N3 O2 S
SMILES:	O=S(=O)(Nc1ncccc1)c2ccc(N)cc2
InChi:	InChI=1S/C11H11N3O2S/c12-9-4-6-10(7-5-9)17(15,16)14-11-3-1-2-8-13-11/h1-8H,12H2,(H,13,14)
Synonyms:	Sulfapyridine
Definition date:	2012-11-09
Last modified:	2021-03-01
Release date:	2013-06-05
Identifier:	4-amino-N-(pyridin-2-yl)benzenesulfonamide

P7Y

P7Y
Name:	2-[(E)-2-nitroethenyl]phenol
Formula:	C8 H7 N O3
SMILES:	[O-][N+](=O)/C=C/c1ccccc1O
InChi:	InChI=1S/C8H7NO3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H/b6-5+
Synonyms:	(E)-1-(2'-hydroxyphenyl)-2-nitroethene
Definition date:	2010-10-14
Last modified:	2021-03-01
Identifier:	2-[(E)-2-nitroethenyl]phenol

QUN

QUN
Name:	QUINACRINE
Formula:	C23 H30 Cl N3 O
SMILES:	Clc2ccc1c(c3c(nc1c2)ccc(OC)c3)NC(C)CCCN(CC)CC
InChi:	InChI=1S/C23H30ClN3O/c1-5-27(6-2)13-7-8-16(3)25-23-19-11-9-17(24)14-22(19)26-21-12-10-18(28-4)15-20(21)23/h9-12,14-16H,5-8,13H2,1-4H3,(H,25,26)/t16-/m1/s1
Synonyms:	6-CHLORO-9-[[4-(DIETHYLAMINO)-1-METHYLBUTYL]AMINO]-2-METHOXYACRIDINE
Definition date:	2001-08-17
Last modified:	2021-03-01
Identifier:	(4R)-N~4~-(6-chloro-2-methoxyacridin-9-yl)-N~1~,N~1~-diethylpentane-1,4-diamine

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