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FOM

FOM
Name:	3-[FORMYL(HYDROXY)AMINO]PROPYLPHOSPHONIC ACID
Formula:	C4 H10 N O5 P
SMILES:	O=P(O)(O)CCCN(O)C=O
InChi:	InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)
Synonyms:	FOSMIDOMYCIN
Definition date:	2003-03-05
Last modified:	2020-06-17
Identifier:	{3-[formyl(hydroxy)amino]propyl}phosphonic acid

PQJ

PQJ
Name:	fos-choline-14
Formula:	C19 H43 N O4 P
SMILES:	CCCCCCCCCCCCCCO[P](O)(=O)OCC[N](C)(C)C
InChi:	InChI=1S/C19H43NO4P/c1-5-6-7-8-9-10-11-12-13-14-15-16-18-23-25(21,22)24-19-17-20(2,3)4/h5-19H2,1-4H3,(H,21,22)
Synonyms:	tetradecyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate
Definition date:	2019-08-21
Last modified:	2020-06-17
Release date:	2020-03-25
Identifier:	tetradecyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate

0O8

0O8
Name:	(1,1-dimethylpiperidin-1-ium-4-yl) octadecyl hydrogen phosphate
Formula:	C25 H53 N O4 P
SMILES:	O=P(O)(OC1CC[N+](C)(C)CC1)OCCCCCCCCCCCCCCCCCC
InChi:	InChI=1S/C25H52NO4P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-29-31(27,28)30-25-20-22-26(2,3)23-21-25/h25H,4-24H2,1-3H3/p+1
Synonyms:	PERIFOSINE
Definition date:	2012-03-29
Last modified:	2020-06-17
Release date:	2012-10-26
Identifier:	4-{[(R)-hydroxy(octadecyloxy)phosphoryl]oxy}-1,1-dimethylpiperidinium

RCO

RCO
Name:	RESORCINOL
Formula:	C6 H6 O2
SMILES:	Oc1cccc(O)c1
InChi:	InChI=1S/C6H6O2/c7-5-2-1-3-6(8)4-5/h1-4,7-8H
Synonyms:	1,3-BENZENEDIOL
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	benzene-1,3-diol

JI5

JI5
Name:	N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
Formula:	C21 H30 F N5
SMILES:	Fc1cccc(c1)CCNCCNC2C(CNC2)Cc3nc(N)cc(c3)C
InChi:	InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m1/s1
Synonyms:	N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride
Definition date:	2009-09-23
Last modified:	2020-06-17
Identifier:	N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine

NCN

NCN
Name:	NICOTINATE MONONUCLEOTIDE
Formula:	C11 H14 N O9 P
SMILES:	[O-]P(=O)(O)OCC2OC([n+]1cc(ccc1)C(=O)O)C(O)C2O
InChi:	InChI=1S/C11H14NO9P/c13-8-7(5-20-22(17,18)19)21-10(9(8)14)12-3-1-2-6(4-12)11(15)16/h1-4,7-10,13-14H,5H2,(H2-,15,16,17,18,19)/t7-,8-,9-,10-/m1/s1
Synonyms:	NAMN
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	3-carboxy-1-[5-O-(hydroxyphosphinato)-beta-D-ribofuranosyl]pyridinium

AFS

AFS
Name:	N-[(1R)-1-phosphonoethyl]-L-alaninamide
Formula:	C5 H13 N2 O4 P
SMILES:	O=C(NC(C)P(=O)(O)O)C(N)C
InChi:	InChI=1S/C5H13N2O4P/c1-3(6)5(8)7-4(2)12(9,10)11/h3-4H,6H2,1-2H3,(H,7,8)(H2,9,10,11)/t3-,4+/m0/s1
Synonyms:	Alafosfalin
Definition date:	2013-01-17
Last modified:	2020-06-17
Release date:	2013-07-10
Identifier:	N-[(1R)-1-phosphonoethyl]-L-alaninamide

8PR

8PR
Name:	Paroxetine
Formula:	C19 H20 F N O3
SMILES:	Fc1ccc(cc1)C2CCNCC2COc3ccc4OCOc4c3
InChi:	InChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
Synonyms:	(3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine
Definition date:	2011-07-11
Last modified:	2020-06-17
Release date:	2012-09-21
Identifier:	(3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine

FER

FER
Name:	3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID
Formula:	C10 H10 O4
SMILES:	O=C(O)C=Cc1cc(OC)c(O)cc1
InChi:	InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
Synonyms:	FERULIC ACID
Definition date:	1999-07-08
Last modified:	2020-06-17
Identifier:	(2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid

JE2

JE2
Name:	(4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide
Formula:	C32 H37 N3 O5 S
SMILES:	O=C(NCc1ccccc1C)C4N(C(=O)C(O)C(NC(=O)c2cccc(O)c2C)Cc3ccccc3)CSC4(C)C
InChi:	InChI=1S/C32H37N3O5S/c1-20-11-8-9-14-23(20)18-33-30(39)28-32(3,4)41-19-35(28)31(40)27(37)25(17-22-12-6-5-7-13-22)34-29(38)24-15-10-16-26(36)21(24)2/h5-16,25,27-28,36-37H,17-19H2,1-4H3,(H,33,39)(H,34,38)/t25-,27-,28+/m0/s1
Synonyms:	JE-2147
Definition date:	2002-02-18
Last modified:	2020-05-27
Identifier:	(4R)-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-N-(2-methylbenzyl)-1,3-thiazolidine-4-carboxamide

AHD

AHD
Name:	4-AMINO-1-HYDROXYBUTANE-1,1-DIYLDIPHOSPHONATE
Formula:	C4 H9 N O7 P2
SMILES:	[O-]P([O-])(=O)C(O)(CCCN)P(=O)([O-])[O-]
InChi:	InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12)/p-4
Synonyms:	ALENDRONATE
Definition date:	2005-01-11
Last modified:	2020-05-26
Identifier:	(4-amino-1-hydroxybutane-1,1-diyl)bis(phosphonate)

QLM

QLM
Name:	methyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecine-2-carboxylate
Formula:	C29 H30 Cl N9 O5
SMILES:	[C@H](=CC(=O)NC2CCCCC(Nc1c(ccc(NC(OC)=O)c1)c3cnc2n3)C(=O)OC)c4cc(Cl)ccc4n5nnnc5
InChi:	InChI=1S/C29H30ClN9O5/c1-43-28(41)22-6-4-3-5-21(35-26(40)12-7-17-13-18(30)8-11-25(17)39-16-32-37-38-39)27-31-15-24(36-27)20-10-9-19(14-23(20)34-22)33-29(42)44-2/h7-16,21-22,34H,3-6H2,1-2H3,(H,31,36)(H,33,42)(H,35,40)/b12-7+/t21-,22+/m0/s1
Definition date:	2019-11-15
Last modified:	2020-01-24
Release date:	2020-01-29
Identifier:	methyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecine-2-carboxylate

KS8

KS8
Name:	fosinoprilat
Formula:	C23 H34 N O5 P
SMILES:	OC(=O)[CH]1C[CH](CN1C(=O)C[P](O)(=O)CCCCc2ccccc2)C3CCCCC3
InChi:	InChI=1S/C23H34NO5P/c25-22(17-30(28,29)14-8-7-11-18-9-3-1-4-10-18)24-16-20(15-21(24)23(26)27)19-12-5-2-6-13-19/h1,3-4,9-10,19-21H,2,5-8,11-17H2,(H,26,27)(H,28,29)/t20-,21+/m1/s1
Definition date:	2019-06-19
Last modified:	2019-11-08
Release date:	2019-11-13
Identifier:	(2~{S},4~{S})-4-cyclohexyl-1-[2-[oxidanyl(4-phenylbutyl)phosphoryl]ethanoyl]pyrrolidine-2-carboxylic acid

N0M

N0M
Name:	(4S,7aR,9aR,10S,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,11,12,13,14,15-dodecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione
Formula:	C31 H39 Cl N2 O5 S
SMILES:	C2CCc1c(ccc(c1)Cl)C23CN5c4c(OC3)ccc(c4)C(NS(C(CCCCC(C6C(C5)CC6)O)C)(=O)=O)=O
InChi:	InChI=1S/C31H39ClN2O5S/c1-20-5-2-3-7-28(35)25-11-8-23(25)17-34-18-31(14-4-6-21-15-24(32)10-12-26(21)31)19-39-29-13-9-22(16-27(29)34)30(36)33-40(20,37)38/h9-10,12-13,15-16,20,23,25,28,35H,2-8,11,14,17-19H2,1H3,(H,33,36)/t20-,23+,25-,28+,31+/m1/s1
Definition date:	2019-04-29
Last modified:	2019-05-10
Release date:	2019-05-15
Identifier:	(4S,7aR,9aR,10S,15R)-6'-chloro-10-hydroxy-15-methyl-3',4',7a,8,9,9a,10,11,12,13,14,15-dodecahydro-2'H,3H,5H-spiro[1,19-(ethanediylidene)-16lambda~6~-cyclobuta[i][1,4]oxazepino[3,4-f][1,2,7]thiadiazacyclohexadecine-4,1'-naphthalene]-16,16,18(7H,17H)-trione

KSY

KSY
Name:	4-{[3-(3-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione
Formula:	C17 H16 N2 O3
SMILES:	c21C(=O)NC(c1c(ccc2)NCCCc3cccc(O)c3)=O
InChi:	InChI=1S/C17H16N2O3/c20-12-6-1-4-11(10-12)5-3-9-18-14-8-2-7-13-15(14)17(22)19-16(13)21/h1-2,4,6-8,10,18,20H,3,5,9H2,(H,19,21,22)
Definition date:	2019-01-13
Last modified:	2019-05-03
Release date:	2019-05-08
Identifier:	4-{[3-(3-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione

HJM

HJM
Name:	(5beta)-12-methoxyibogamine
Formula:	C20 H26 N2 O
SMILES:	N14CC2CC(C1C(C2)c3nc5c(c3CC4)cc(OC)cc5)CC
InChi:	InChI=1S/C20H26N2O/c1-3-13-8-12-9-17-19-15(6-7-22(11-12)20(13)17)16-10-14(23-2)4-5-18(16)21-19/h4-5,10,12-13,17,20-21H,3,6-9,11H2,1-2H3/t12-,13+,17+,20+/m1/s1
Definition date:	2018-07-06
Last modified:	2019-04-19
Release date:	2019-04-24
Identifier:	(5beta)-12-methoxyibogamine

30I

30I
Name:	3-azanyl-5-(azepan-1-yl)-N-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide
Formula:	C17 H23 N9 O2
SMILES:	COc1ncc(cn1)c2nc(c(N)nc2N3CCCCCC3)C(=O)NC(N)=N
InChi:	InChI=1S/C17H23N9O2/c1-28-17-21-8-10(9-22-17)11-14(26-6-4-2-3-5-7-26)24-13(18)12(23-11)15(27)25-16(19)20/h8-9H,2-7H2,1H3,(H2,18,24)(H4,19,20,25,27)
Definition date:	2018-02-16
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	3-azanyl-5-(azepan-1-yl)-~{N}-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide

K5S

K5S
Name:	[(3S,4S)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]acetic acid
Formula:	C29 H27 Cl F N O5
SMILES:	Fc1ccc5c(c1)C(=O)N(c2cc(Cl)c(C(C)(C)C)cc2)C(c4cc3OCCOc3cc4)C5CC(O)=O
InChi:	InChI=1S/C29H27ClFNO5/c1-29(2,3)22-8-6-18(14-23(22)30)32-27(16-4-9-24-25(12-16)37-11-10-36-24)20(15-26(33)34)19-7-5-17(31)13-21(19)28(32)35/h4-9,12-14,20,27H,10-11,15H2,1-3H3,(H,33,34)/t20-,27+/m0/s1
Definition date:	2018-10-31
Last modified:	2018-12-14
Release date:	2018-12-19
Identifier:	[(3S,4S)-2-(4-tert-butyl-3-chlorophenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-fluoro-1-oxo-1,2,3,4-tetrahydroisoquinolin-4-yl]acetic acid

9BX

9BX
Name:	3-chloro-4,6-dihydroxy-5-[(2Z,6Z,8E)-11-hydroxy-3,7,11-trimethyl-10-oxododeca-2,6,8-trien-1-yl]-2-methylbenzaldehyde
Formula:	C23 H29 Cl O5
SMILES:	CC(C)(C(C=CC(C)=[C@H]CCC(C)=[C@H]Cc1c(c(c(c(c1O)C=O)C)Cl)O)=O)O
InChi:	InChI=1S/C23H29ClO5/c1-14(7-6-8-15(2)10-12-19(26)23(4,5)29)9-11-17-21(27)18(13-25)16(3)20(24)22(17)28/h8-10,12-13,27-29H,6-7,11H2,1-5H3/b12-10+,14-9-,15-8-
Definition date:	2018-03-08
Last modified:	2018-09-21
Release date:	2018-09-26
Identifier:	3-chloro-4,6-dihydroxy-5-[(2Z,6Z,8E)-11-hydroxy-3,7,11-trimethyl-10-oxododeca-2,6,8-trien-1-yl]-2-methylbenzaldehyde

C0V

C0V
Name:	(2Z)-2-hydroxy-4-(naphthalen-2-yl)-4-oxobut-2-enoic acid
Formula:	C14 H10 O4
SMILES:	c2cc1ccccc1cc2C([C@H]=C(C(O)=O)O)=O
InChi:	InChI=1S/C14H10O4/c15-12(8-13(16)14(17)18)11-6-5-9-3-1-2-4-10(9)7-11/h1-8,16H,(H,17,18)/b13-8-
Definition date:	2017-09-07
Last modified:	2018-08-31
Release date:	2018-09-05
Identifier:	(2Z)-2-hydroxy-4-(naphthalen-2-yl)-4-oxobut-2-enoic acid

FE7

FE7
Name:	N-{(3Z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1H-indol-5-yl}ethanesulfonamide
Formula:	C29 H32 N4 O3 S
SMILES:	c15c(NC(=O)C/1=C(c2ccccc2)Nc3ccc(cc3)CN4CCCCC4)ccc(c5)NS(CC)(=O)=O
InChi:	InChI=1S/C29H32N4O3S/c1-2-37(35,36)32-24-15-16-26-25(19-24)27(29(34)31-26)28(22-9-5-3-6-10-22)30-23-13-11-21(12-14-23)20-33-17-7-4-8-18-33/h3,5-6,9-16,19,30,32H,2,4,7-8,17-18,20H2,1H3,(H,31,34)/b28-27-
Definition date:	2018-03-26
Last modified:	2018-04-06
Release date:	2018-04-11
Identifier:	N-{(3Z)-2-oxo-3-[phenyl({4-[(piperidin-1-yl)methyl]phenyl}amino)methylidene]-2,3-dihydro-1H-indol-5-yl}ethanesulfonamide

BJQ

BJQ
Name:	[(2~{S})-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium
Formula:	C10 H14 N O2
SMILES:	COC(=O)[CH]([NH3+])Cc1ccccc1
InChi:	InChI=1S/C10H13NO2/c1-13-10(12)9(11)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3/p+1/t9-/m0/s1
Definition date:	2017-10-06
Last modified:	2018-02-23
Release date:	2018-02-28
Identifier:	[(2~{S})-1-methoxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

C4J

C4J
Name:	(5S)-5-{3-[(3S)-3-amino-3-carboxypropyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl}-2,5-anhydro-1-O-phosphono-L-arabinitol
Formula:	C14 H22 N3 O11 P
SMILES:	C=1N(C(=O)N(CCC(N)C(O)=O)C(C=1C2C(C(C(O2)COP(=O)(O)O)O)O)=O)C
InChi:	InChI=1S/C14H22N3O11P/c1-16-4-6(12(20)17(14(16)23)3-2-7(15)13(21)22)11-10(19)9(18)8(28-11)5-27-29(24,25)26/h4,7-11,18-19H,2-3,5,15H2,1H3,(H,21,22)(H2,24,25,26)/t7-,8-,9+,10+,11-/m0/s1
Definition date:	2017-09-13
Last modified:	2017-12-01
Release date:	2017-12-06
Identifier:	(5S)-5-{3-[(3S)-3-amino-3-carboxypropyl]-1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl}-2,5-anhydro-1-O-phosphono-L-arabinitol

8KS

8KS
Name:	(1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid
Formula:	C28 H22 O4
SMILES:	C3(C(Oc1cccc2ccccc12)=O)C(C(C(=O)O)C3c4ccccc4)c5ccccc5
InChi:	InChI=1S/C28H22O4/c29-27(30)25-23(19-11-3-1-4-12-19)26(24(25)20-13-5-2-6-14-20)28(31)32-22-17-9-15-18-10-7-8-16-21(18)22/h1-17,23-26H,(H,29,30)/t23-,24-,25-,26-/m0/s1
Definition date:	2017-02-13
Last modified:	2017-08-18
Release date:	2017-08-23
Identifier:	(1S,2S,3S,4S)-3-{[(naphthalen-1-yl)oxy]carbonyl}-2,4-diphenylcyclobutane-1-carboxylic acid

7V4

7V4
Name:	6-[2-({[4-(furan-3-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid
Formula:	C27 H31 N O5
SMILES:	c3c(CN(C(C)C)C(c1ccc(cc1)c2ccoc2)=O)c(ccc3)OCCCCCC(O)=O
InChi:	InChI=1S/C27H31NO5/c1-20(2)28(27(31)22-13-11-21(12-14-22)24-15-17-32-19-24)18-23-8-5-6-9-25(23)33-16-7-3-4-10-26(29)30/h5-6,8-9,11-15,17,19-20H,3-4,7,10,16,18H2,1-2H3,(H,29,30)
Definition date:	2016-12-06
Last modified:	2017-03-17
Release date:	2017-03-22
Identifier:	6-[2-({[4-(furan-3-yl)benzene-1-carbonyl](propan-2-yl)amino}methyl)phenoxy]hexanoic acid

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